G4VDI4_SCHMA Loading...

dTMP kinase

AlphaFold DB , UniProt , Accession G4VDI4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 235 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low72.5Confident239 Ų23987.2 Ų87.2100%1.17742%0.423SS*.  0105.90-95.1172.3170.900106.2R3M1-R3 PolarHBondContact O-N 3.11Å
2T44.9Very low74.7Confident120 Ų12079.9 Ų79.974%0.73639%0.387SS*.PPolyproline II helixtrans-63.9119.6175.416.90000108.8R4T2-R4 PolarHBondContact O-N 3.04Å
3R49.4Very low76.5Confident171 Ų17173.8 Ų73.865%0.64536%0.358SS*.PPolyproline II helixtrans-61122.1177.4-162.4176.2178.5-164.60.1107.7M1 M5M1-R3 PolarHBondContact O-N 3.11Å; R3-M5 PolarHBondContact O-N 2.86Å
4R53.8Low78.1Confident203 Ų20368.5 Ų68.577%0.76633%0.332SS*.PPolyproline II helixtrans-65.9127.4174.4-74.2-178.9174.4-175.2-1.6107.9T2 S6T2-R4 PolarHBondContact O-N 3.04Å; R4-S6 PolarHBondContact O-N 3.28Å
5M61.9Low79.3Confident22 Ų2263.9 Ų63.911%0.10831%0.31CS..PPolyproline II helixtrans-59131.8172.3-53-165.5-61.200109R3 Q7 I9 T36 L219 I223R3-M5 PolarHBondContact O-N 2.86Å; M5-Q7 WeakPolarHBondContact CB-O 3.47Å; M5-Q7 PolarHBondContact O-N 3.25Å; M5-I9 HydrophobicContact CE-CB 4.38Å; M5-I9 HydrophobicContact CE-CG2 4.26Å; M5-T36 HydrophobicContact CE-CG2 3.89Å; M5-L219 HydrophobicContact CE-CD2 4.02Å; M5-L219 HydrophobicContact SD-CD2 3.46Å; M5-L219 WeakPolarHBondContact SD-CD2 3.49Å; M5-I223 HydrophobicContact CG-CD1 3.83Å; M5-I223 HydrophobicContact CG-CG1 3.83Å; M5-I223 HydrophobicContact SD-CD1 3.97Å; M5-I223 HydrophobicContact SD-CG1 4.06Å
6S74.8Confident80.2Confident106 Ų10659.9 Ų59.974%0.74129%0.291SS*.SBendtrans-68.6-25.4177.152.80000111.7R4R4-S6 PolarHBondContact O-N 3.28Å
7Q89.1Confident80.8Confident94 Ų9457.6 Ų57.644%0.43928%0.28SS..SBendtrans-132.3149.5172.8-62.7-65.8-71.200109.6M5 I90 S91M5-Q7 WeakPolarHBondContact CB-O 3.47Å; M5-Q7 PolarHBondContact O-N 3.25Å; Q7-I90 CarbonylContact C-O 3.5Å; Q7-I90 WeakPolarHBondContact CA-O 3.39Å; Q7-I90 HydrophobicContact CB-CG2 4.33Å; Q7-S91 PolarHBondContact NE2-O 2.85Å
8G94.4Very high81.2Confident3 Ų359.5 Ų59.53%0.03128%0.284CS..  trans-79.7139.6177.100000110.8I90 I94G8-I90 PolarHBondContact N-O 2.88Å; G8-I94 WeakPolarHBondContact CA-O 3.48Å
9I96.2Very high81.7Confident1 Ų156.5 Ų56.51%0.00527%0.27CS..  trans-68.5136.9173-169.4174.3000110.3M5 V11 L32 P95 V96 D133 K218 L219 I222M5-I9 HydrophobicContact CE-CB 4.38Å; M5-I9 HydrophobicContact CE-CG2 4.26Å; I9-V11 HydrophobicContact CD1-CG2 3.9Å; I9-V11 HydrophobicContact CG1-CG2 3.92Å; I9-L32 HydrophobicContact CG2-CD1 4.33Å; I9-L32 HydrophobicContact CG2-CD2 4.04Å; I9-P95 HydrophobicContact CG2-CB 3.97Å; I9-P95 CarbonylContact O-C 3.47Å; I9-P95 VanDerWaalsContact O-CA 3.31Å; I9-P95 WeakPolarHBondContact O-CA 3.42Å; I9-V96 PolarHBondContact O-N 2.68Å; I9-D133 WeakPolarHBondContact CA-OD2 3.47Å; I9-D133 HydrophobicContact CG1-CB 3.96Å; I9-K218 HydrophobicContact CD1-CB 4.22Å; I9-K218 HydrophobicContact CD1-CG 3.79Å; I9-L219 HydrophobicContact CB-CD2 4.05Å; I9-L219 HydrophobicContact CD1-CD2 3.92Å; I9-L219 HydrophobicContact CD1-CG 3.99Å; I9-L219 HydrophobicContact CG2-CD2 3.82Å; I9-I222 HydrophobicContact CB-CD1 4.43Å; I9-I222 HydrophobicContact CD1-CD1 4.03Å; I9-I222 HydrophobicContact CG1-CD1 3.92Å
10F97.9Very high82.3Confident0 Ų054.7 Ų54.70%027%0.266CS..EExtended strand (participates in β ladder)trans-110.4111172.7-177.5-156.7000111V12 I86 I90 V96 A98 Y101 V130 P132 D133 L134F10-V12 HydrophobicContact CD2-CG2 4.5Å; F10-V12 HydrophobicContact CE1-CG2 4.34Å; F10-V12 HydrophobicContact CE2-CG2 3.82Å; F10-V12 HydrophobicContact CZ-CG2 3.72Å; F10-I86 HydrophobicContact CD1-CG2 4.49Å; F10-I86 HydrophobicContact CE1-CG2 4.32Å; F10-I86 HydrophobicContact CZ-CG2 4.47Å; F10-I90 HydrophobicContact CB-CD1 3.82Å; F10-I90 HydrophobicContact CB-CG1 4.37Å; F10-I90 HydrophobicContact CD1-CD1 4.17Å; F10-I90 HydrophobicContact CG-CD1 4.14Å; F10-V96 WeakPolarHBondContact CA-O 3.4Å; F10-V96 HydrophobicContact CB-CB 4.42Å; F10-V96 HydrophobicContact CD2-CB 3.63Å; F10-V96 HydrophobicContact CD2-CG1 3.6Å; F10-V96 HydrophobicContact CE2-CB 4.28Å; F10-V96 HydrophobicContact CE2-CG1 3.71Å; F10-V96 HydrophobicContact CG-CB 4.27Å; F10-A98 HydrophobicContact CE2-CB 3.75Å; F10-A98 HydrophobicContact CZ-CB 4.2Å; F10-Y101 HydrophobicContact CE1-CD1 4.37Å; F10-Y101 AromaticContact CE1-CE1 3.92Å; F10-Y101 HydrophobicContact CE1-CE1 3.92Å; F10-Y101 HydrophobicContact CZ-CD1 4.21Å; F10-Y101 HydrophobicContact CZ-CE1 4.07Å; F10-Y101 HydrophobicContact CZ-CE2 4.37Å; F10-Y101 HydrophobicContact CZ-CG 4.43Å; F10-V130 HydrophobicContact CD1-CG1 4.02Å; F10-V130 HydrophobicContact CE1-CG1 4.43Å; F10-P132 VanDerWaalsContact CD1-CA 3.48Å; F10-P132 HydrophobicContact CD1-CB 3.9Å; F10-P132 HydrophobicContact CE1-CB 4.13Å; F10-P132 HydrophobicContact CG-CB 4.23Å; F10-D133 PolarHBondContact N-OD2 3.07Å; F10-D133 PolarHBondContact O-N 3.25Å; F10-L134 PolarHBondContact O-N 3.42Å
11V98.6Very high83Confident0 Ų052.6 Ų52.60%026%0.256CS..EExtended strand (participates in β ladder)trans-112129.1180-172.20000110.6I9 L28 L32 V96 V97 A98 L134 I136 V215I9-V11 HydrophobicContact CD1-CG2 3.9Å; I9-V11 HydrophobicContact CG1-CG2 3.92Å; V11-L28 HydrophobicContact CB-CD2 4.14Å; V11-L28 HydrophobicContact CG1-CD2 3.77Å; V11-L32 HydrophobicContact CG2-CD1 4.45Å; V11-V96 PolarHBondContact N-O 2.89Å; V11-V97 CarbonylContact O-C 3.51Å; V11-V97 VanDerWaalsContact O-CA 3.32Å; V11-V97 WeakPolarHBondContact O-CA 3.5Å; V11-A98 PolarHBondContact O-N 3.22Å; V11-L134 WeakPolarHBondContact CA-O 3.06Å; V11-L134 HydrophobicContact CG1-CB 4.26Å; V11-L134 HydrophobicContact CG1-CD2 4.25Å; V11-L134 HydrophobicContact CG1-CG 4.4Å; V11-L134 HydrophobicContact CG2-CB 4.35Å; V11-I136 HydrophobicContact CG1-CD1 4.38Å; V11-V215 HydrophobicContact CG1-CG2 4.44Å
12V98.8Very high85.8Confident0 Ų044.7 Ų44.70%022%0.221CC..EExtended strand (participates in β ladder)trans-108.5130.5175.5177.30000109.7F10 E14 A98 Y101 P132 L134 V135 I136F10-V12 HydrophobicContact CD2-CG2 4.5Å; F10-V12 HydrophobicContact CE1-CG2 4.34Å; F10-V12 HydrophobicContact CE2-CG2 3.82Å; F10-V12 HydrophobicContact CZ-CG2 3.72Å; V12-E14 HydrophobicContact CG1-CG 3.9Å; V12-A98 HydrophobicContact CG2-CB 4.06Å; V12-Y101 HydrophobicContact CG2-CD1 4.16Å; V12-Y101 HydrophobicContact CG2-CG 4.23Å; V12-P132 HydrophobicContact CB-CB 4.37Å; V12-P132 HydrophobicContact CG2-CB 3.59Å; V12-P132 HydrophobicContact CG2-CG 3.94Å; V12-L134 PolarHBondContact N-O 3.49Å; V12-V135 HydrophobicContact CB-CG2 4.46Å; V12-V135 WeakPolarHBondContact O-CA 3.33Å; V12-I136 PolarHBondContact O-N 2.65Å
13L98.8Very high88.3Confident0 Ų042.5 Ų42.50%021%0.207CC..EExtended strand (participates in β ladder)trans-99.1115.6167.5-59.5-169.3000110.1Q24 A25 L28 A98 R100 I136L13-Q24 HydrophobicContact CD1-CB 3.71Å; L13-A25 HydrophobicContact CD1-CB 3.91Å; L13-A25 VanDerWaalsContact CD1-N 3.29Å; L13-L28 HydrophobicContact CD2-CD2 4.3Å; L13-A98 PolarHBondContact N-O 3.47Å; L13-R100 PolarHBondContact O-N 3.44Å; L13-I136 WeakPolarHBondContact CA-O 3.19Å; L13-I136 HydrophobicContact CD2-CB 3.74Å; L13-I136 HydrophobicContact CD2-CD1 4.18Å; L13-I136 HydrophobicContact CD2-CG1 4.4Å; L13-I136 HydrophobicContact CD2-CG2 4.35Å
14E98.6Very high90.6Very high0 Ų034.7 Ų34.70%018%0.178CC..EExtended strand (participates in β ladder)trans-107.6174.2175.1-74.6-64.9-176.900111.7V12 K21 Y101 Y103 S104 V135 I136 C137 L138 Y170 W194V12-E14 HydrophobicContact CG1-CG 3.9Å; E14-K21 WeakPolarHBondContact O-CD 3.46Å; E14-Y101 PolarHBondContact OE1-N 3.3Å; E14-Y103 HydrophobicContact CG-CD2 3.94Å; E14-Y103 HydrophobicContact CG-CG 4.47Å; E14-S104 PolarHBondContact OE1-N 3.01Å; E14-S104 WeakPolarHBondContact OE2-CB 3.47Å; E14-S104 PolarHBondContact OE2-OG 3.22Å; E14-V135 HydrophobicContact CB-CG1 4.41Å; E14-V135 HydrophobicContact CG-CG1 4.02Å; E14-I136 PolarHBondContact N-O 3.08Å; E14-C137 HydrophobicContact CB-CB 4.27Å; E14-C137 CarbonylContact O-C 3.41Å; E14-C137 WeakPolarHBondContact O-CA 3.41Å; E14-L138 PolarHBondContact O-N 3.2Å; E14-Y170 HydrophobicContact CB-CE1 3.98Å; E14-Y170 HydrophobicContact CG-CE1 4.15Å; E14-Y170 PolarHBondContact OE2-OH 3.31Å; E14-W194 HydrophobicContact CG-CH2 4.46Å
15G96.4Very high92.8Very high0 Ų025.5 Ų25.50%015%0.146CC..EExtended strand (participates in β ladder)trans138174.8174.900000114.6K21 R100 L138G15-K21 PolarHBondContact O-NZ 3.43Å; G15-R100 PolarHBondContact O-NH1 3.34Å; G15-R100 PolarHBondContact O-NH2 3.41Å; G15-L138 VanDerWaalsContact CA-O 3.28Å; G15-L138 WeakPolarHBondContact CA-O 3.22Å
16A92.4Very high94.5Very high0 Ų028.3 Ų28.30%017%0.167CC..SBendtrans-61161.6-179.500000112.7V19 K21 L146 L167A16-V19 WeakPolarHBondContact O-CG1 3.32Å; A16-K21 PolarHBondContact O-NZ 2.81Å; A16-L146 HydrophobicContact CB-CD1 3.7Å; A16-L167 HydrophobicContact CB-CD1 4.45Å; A16-L167 HydrophobicContact CB-CD2 3.95Å; A16-L167 HydrophobicContact CB-CG 4.19Å
17D90.9Very high95.6Very high21 Ų2126 Ų2611%0.11215%0.147CC..THydrogen-bonded Turntrans-59.9148.6172-71.5-47.2000111.5V19 R100 Y108 L146 E158 Q163D17-V19 PolarHBondContact O-N 3.46Å; D17-R100 IonicContact OD1-CZ 3.21Å; D17-R100 IonicContact OD1-NH2 2.76Å; D17-R100 PolarHBondContact OD1-NH2 3.44Å; D17-Y108 PolarHBondContact OD1-OH 2.72Å; D17-Y108 WeakPolarHBondContact OD2-CE1 3.28Å; D17-Y108 PolarHBondContact OD2-OH 3.29Å; D17-L146 WeakPolarHBondContact O-CD2 3.31Å; D17-E158 HydrophobicContact CB-CG 4.15Å; D17-Q163 PolarHBondContact OD2-NE2 3.34Å
18R87.8Confident96.1Very high91 Ų9121.5 Ų21.534%0.34313%0.126SC..THydrogen-bonded Turntrans57.94.4-177.3-56.1-60.4173160.8-7.3117.6G20 R149 N150 G151 Y152 E158R18-G20 PolarHBondContact O-N 3.1Å; R18-G20 VanDerWaalsContact O-N 3.11Å; R18-R149 HydrophobicContact CB-CB 4.15Å; R18-R149 HydrophobicContact CG-CB 4.47Å; R18-R149 WeakPolarHBondContact O-CD 3.09Å; R18-R149 VanDerWaalsContact O-CZ 3.31Å; R18-R149 PolarHBondContact O-NE 3.36Å; R18-R149 PolarHBondContact O-NH1 3.24Å; R18-N150 PolarHBondContact NH1-O 3.03Å; R18-N150 VanDerWaalsContact NH1-O 3.16Å; R18-G151 PolarHBondContact NH2-O 3.27Å; R18-G151 VanDerWaalsContact NH2-O 3.15Å; R18-Y152 HydrophobicContact CB-CD2 4.34Å; R18-Y152 HydrophobicContact CG-CD2 3.7Å; R18-E158 IonicContact CZ-OE1 3.27Å; R18-E158 VanDerWaalsContact CZ-OE1 3.27Å; R18-E158 IonicContact NE-OE1 2.77Å; R18-E158 PolarHBondContact NE-OE1 2.87Å; R18-E158 IonicContact NH2-OE1 2.87Å; R18-E158 PolarHBondContact NH2-OE1 3Å; R18-E158 IonicContact NH2-OE2 3.77Å
19V91.7Very high96.3Very high3 Ų321.7 Ų21.72%0.01813%0.127CC..SBendtrans-69.1-8.718078.60000115.2A16 D17 K21 L138 L146 R149 A199A16-V19 WeakPolarHBondContact O-CG1 3.32Å; D17-V19 PolarHBondContact O-N 3.46Å; V19-K21 HydrophobicContact CG1-CD 4.28Å; V19-K21 HydrophobicContact CG1-CG 3.66Å; V19-L138 HydrophobicContact CB-CB 4.49Å; V19-L138 HydrophobicContact CG1-CB 3.62Å; V19-L138 HydrophobicContact CG1-CD1 4.47Å; V19-L138 HydrophobicContact CG2-CB 4.03Å; V19-L146 HydrophobicContact CB-CD2 4.19Å; V19-L146 HydrophobicContact CG2-CD2 4.44Å; V19-R149 PolarHBondContact O-NH1 3.17Å; V19-A199 HydrophobicContact CG2-CB 4.04Å
20G93.3Very high96.4Very high19 Ų1927.9 Ų27.920%0.19615%0.153CC..SBendtrans10711.8176.100000115.7R18 T22 T23 Q24R18-G20 PolarHBondContact O-N 3.1Å; R18-G20 VanDerWaalsContact O-N 3.11Å; G20-T22 PolarHBondContact O-N 3.17Å; G20-T23 WeakPolarHBondContact O-CB 3.25Å; G20-T23 PolarHBondContact O-N 3.36Å; G20-Q24 PolarHBondContact O-N 2.99Å
21K96.1Very high96.4Very high12 Ų1228.5 Ų28.55%0.05216%0.159CC..Hα-helixtrans-51.9-52.7-178.2-61.1-176.1-56.1-64.40114E14 G15 A16 V19 T23 Q24 A25 D99 R100 L138E14-K21 WeakPolarHBondContact O-CD 3.46Å; G15-K21 PolarHBondContact O-NZ 3.43Å; A16-K21 PolarHBondContact O-NZ 2.81Å; V19-K21 HydrophobicContact CG1-CD 4.28Å; V19-K21 HydrophobicContact CG1-CG 3.66Å; K21-T23 VanDerWaalsContact C-N 3.29Å; K21-T23 PolarHBondContact O-N 3.14Å; K21-Q24 CarbonylContact O-C 3.46Å; K21-Q24 PolarHBondContact O-N 3.33Å; K21-Q24 VanDerWaalsContact O-N 3.08Å; K21-A25 WeakPolarHBondContact O-CB 3.47Å; K21-A25 PolarHBondContact O-N 2.95Å; K21-D99 VanDerWaalsContact CB-OD1 3.24Å; K21-D99 WeakPolarHBondContact CB-OD1 3.31Å; K21-R100 VanDerWaalsContact NZ-CZ 3.3Å; K21-L138 HydrophobicContact CG-CD1 4.12Å
22T96.6Very high96.4Very high73 Ų7328.5 Ų28.545%0.44816%0.159SC..Hα-helixtrans-57.3-41.9-178.9-54.10000112.2G20 A25 S26 K44 D99G20-T22 PolarHBondContact O-N 3.17Å; T22-A25 PolarHBondContact O-N 3.39Å; T22-S26 PolarHBondContact O-N 3.09Å; T22-S26 VanDerWaalsContact O-N 3.11Å; T22-K44 PolarHBondContact OG1-NZ 3.49Å; T22-D99 VanDerWaalsContact CA-OD2 3.22Å; T22-D99 WeakPolarHBondContact CA-OD2 3.38Å; T22-D99 WeakPolarHBondContact CB-OD2 3.43Å; T22-D99 PolarHBondContact N-OD2 2.78Å; T22-D99 PolarHBondContact OG1-OD2 2.96Å
23T97Very high96.3Very high73 Ų7330 Ų3045%0.44817%0.169SC..Hα-helixtrans-62.4-48.1176-540000111G20 K21 A25 S26 L27 V204G20-T23 WeakPolarHBondContact O-CB 3.25Å; G20-T23 PolarHBondContact O-N 3.36Å; K21-T23 VanDerWaalsContact C-N 3.29Å; K21-T23 PolarHBondContact O-N 3.14Å; T23-A25 PolarHBondContact O-N 2.79Å; T23-S26 PolarHBondContact O-N 3.38Å; T23-L27 HydrophobicContact CG2-CD1 4.34Å; T23-L27 WeakPolarHBondContact O-CG 3.47Å; T23-L27 PolarHBondContact O-N 2.73Å; T23-L27 VanDerWaalsContact O-N 3.11Å; T23-V204 HydrophobicContact CG2-CG1 3.71Å; T23-V204 HydrophobicContact CG2-CG2 4.39Å
24Q98.3Very high96.2Very high7 Ų735.4 Ų35.43%0.03319%0.194CC..Hα-helixtrans-67.8-35.2-179.4-67.8-58.9-21.800112.8L13 G20 K21 L27 L28 L138 V204 V207 H208 I211L13-Q24 HydrophobicContact CD1-CB 3.71Å; G20-Q24 PolarHBondContact O-N 2.99Å; K21-Q24 CarbonylContact O-C 3.46Å; K21-Q24 PolarHBondContact O-N 3.33Å; K21-Q24 VanDerWaalsContact O-N 3.08Å; Q24-L27 PolarHBondContact O-N 3.04Å; Q24-L28 VanDerWaalsContact O-CB 3.22Å; Q24-L28 WeakPolarHBondContact O-CB 3.37Å; Q24-L28 PolarHBondContact O-N 3.04Å; Q24-L138 HydrophobicContact CB-CD1 4.2Å; Q24-L138 HydrophobicContact CG-CD1 3.95Å; Q24-V204 PolarHBondContact NE2-O 3.29Å; Q24-V207 HydrophobicContact CG-CG1 4Å; Q24-H208 VanDerWaalsContact OE1-CA 3.26Å; Q24-H208 VanDerWaalsContact OE1-CB 3.27Å; Q24-H208 PolarHBondContact OE1-ND1 2.82Å; Q24-I211 HydrophobicContact CB-CD1 3.65Å; Q24-I211 HydrophobicContact CG-CD1 3.8Å
25A98.5Very high96Very high10 Ų1039 Ų398%0.08321%0.213CC..Hα-helixtrans-63.9-44.6176.300000110.9L13 K21 T22 T23 L28 A29 V97 D99L13-A25 HydrophobicContact CD1-CB 3.91Å; L13-A25 VanDerWaalsContact CD1-N 3.29Å; K21-A25 WeakPolarHBondContact O-CB 3.47Å; K21-A25 PolarHBondContact O-N 2.95Å; T22-A25 PolarHBondContact O-N 3.39Å; T23-A25 PolarHBondContact O-N 2.79Å; A25-L28 PolarHBondContact O-N 2.98Å; A25-A29 WeakPolarHBondContact O-CB 3.31Å; A25-A29 PolarHBondContact O-N 2.62Å; A25-V97 HydrophobicContact CB-CG1 3.98Å; A25-D99 HydrophobicContact CB-CB 4.04Å
26S98.5Very high95.7Very high81 Ų8140.3 Ų40.357%0.56622%0.221SC*.Hα-helixtrans-61.5-46.1176.2-178.30000112.1T22 T23 A29 K30T22-S26 PolarHBondContact O-N 3.09Å; T22-S26 VanDerWaalsContact O-N 3.11Å; T23-S26 PolarHBondContact O-N 3.38Å; S26-A29 PolarHBondContact O-N 3.36Å; S26-K30 PolarHBondContact O-N 3.43Å; S26-K30 VanDerWaalsContact O-N 3.14Å
27L98.6Very high95.8Very high58 Ų5847.7 Ų47.730%0.30426%0.255SS..Hα-helixtrans-64.1-43.1176.7-69173.4000112.2T23 Q24 K30 A31 V204 H208T23-L27 HydrophobicContact CG2-CD1 4.34Å; T23-L27 WeakPolarHBondContact O-CG 3.47Å; T23-L27 PolarHBondContact O-N 2.73Å; T23-L27 VanDerWaalsContact O-N 3.11Å; Q24-L27 PolarHBondContact O-N 3.04Å; L27-K30 PolarHBondContact O-N 3.08Å; L27-A31 WeakPolarHBondContact O-CB 3.38Å; L27-A31 PolarHBondContact O-N 3.03Å; L27-V204 HydrophobicContact CD1-CG1 3.42Å; L27-V204 VanDerWaalsContact CD1-CG1 3.42Å; L27-H208 HydrophobicContact CD1-CB 4.3Å
28L98.7Very high96Very high0 Ų050.1 Ų50.10%026%0.263CS..Hα-helixtrans-63.3-43.7177.7177.358.4000111.7V11 L13 Q24 A25 K30 A31 L32 V97 I211 M212 V215V11-L28 HydrophobicContact CB-CD2 4.14Å; V11-L28 HydrophobicContact CG1-CD2 3.77Å; L13-L28 HydrophobicContact CD2-CD2 4.3Å; Q24-L28 VanDerWaalsContact O-CB 3.22Å; Q24-L28 WeakPolarHBondContact O-CB 3.37Å; Q24-L28 PolarHBondContact O-N 3.04Å; A25-L28 PolarHBondContact O-N 2.98Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.28Å; L28-A31 PolarHBondContact O-N 2.73Å; L28-L32 HydrophobicContact CD1-CD1 3.92Å; L28-L32 HydrophobicContact CD1-CG 3.94Å; L28-L32 HydrophobicContact CG-CD1 3.97Å; L28-L32 HydrophobicContact CG-CG 4.42Å; L28-L32 WeakPolarHBondContact O-CB 3.4Å; L28-L32 PolarHBondContact O-N 3.46Å; L28-V97 HydrophobicContact CD2-CG1 4.08Å; L28-V97 HydrophobicContact CD2-CG2 4.02Å; L28-V97 HydrophobicContact CG-CG1 4.42Å; L28-V97 HydrophobicContact CG-CG2 3.88Å; L28-I211 HydrophobicContact CD1-CG2 4.14Å; L28-I211 HydrophobicContact CD2-CG2 4.13Å; L28-M212 HydrophobicContact CD1-SD 3.79Å; L28-V215 HydrophobicContact CD1-CB 4.38Å; L28-V215 HydrophobicContact CD1-CG1 4.12Å; L28-V215 HydrophobicContact CD1-CG2 3.79Å; L28-V215 HydrophobicContact CD2-CG2 4.33Å
29A98.7Very high96.5Very high6 Ų654.2 Ų54.25%0.0529%0.286CS..Hα-helixtrans-60.8-40.8177.300000112A25 S26 S33 T40 S42 V97A25-A29 WeakPolarHBondContact O-CB 3.31Å; A25-A29 PolarHBondContact O-N 2.62Å; S26-A29 PolarHBondContact O-N 3.36Å; A29-S33 WeakPolarHBondContact O-CB 3.41Å; A29-S33 PolarHBondContact O-N 2.65Å; A29-S33 PolarHBondContact O-OG 3.33Å; A29-T40 HydrophobicContact CB-CG2 3.85Å; A29-T40 WeakPolarHBondContact O-CB 3.35Å; A29-T40 PolarHBondContact O-OG1 3.24Å; A29-S42 WeakPolarHBondContact CB-OG 3.46Å; A29-V97 HydrophobicContact CB-CB 4.38Å; A29-V97 HydrophobicContact CB-CG2 4.28Å
30K98.5Very high96.8Very high131 Ų13154.5 Ų54.557%0.5729%0.288SS*.Hα-helixtrans-62.1-49.5173.3-176.1180174.7-175.30111.4S26 L27 L28 L32 S33 E34S26-K30 PolarHBondContact O-N 3.43Å; S26-K30 VanDerWaalsContact O-N 3.14Å; L27-K30 PolarHBondContact O-N 3.08Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.28Å; K30-L32 PolarHBondContact O-N 3.47Å; K30-S33 WeakPolarHBondContact O-CB 3.35Å; K30-S33 PolarHBondContact O-N 2.82Å; K30-S33 VanDerWaalsContact O-N 3.16Å; K30-E34 WeakPolarHBondContact CE-OE1 3.4Å; K30-E34 WeakPolarHBondContact O-CG 3.28Å; K30-E34 PolarHBondContact O-N 3.33Å
31A98.2Very high97Very high13 Ų1355.1 Ų55.111%0.10729%0.286CS..Hα-helixtrans-61.7-43.2-179.300000112.6L27 L28 S33 E34 I35 M212L27-A31 WeakPolarHBondContact O-CB 3.38Å; L27-A31 PolarHBondContact O-N 3.03Å; L28-A31 PolarHBondContact O-N 2.73Å; A31-S33 VanDerWaalsContact C-N 3.3Å; A31-S33 PolarHBondContact O-N 2.88Å; A31-E34 PolarHBondContact O-N 2.97Å; A31-I35 VanDerWaalsContact O-CG1 3.26Å; A31-I35 WeakPolarHBondContact O-CG1 3.45Å; A31-I35 PolarHBondContact O-N 3.41Å; A31-M212 HydrophobicContact CB-CE 3.82Å; A31-M212 HydrophobicContact CB-SD 3.68Å
32L97.2Very high97.2Very high0 Ų058 Ų580%031%0.308CS..Hα-helixtrans-65-35.3175.3-78.4172.9000112.1I9 V11 L28 K30 E34 I35 T36 T40 P95 V97 V215 L219I9-L32 HydrophobicContact CG2-CD1 4.33Å; I9-L32 HydrophobicContact CG2-CD2 4.04Å; V11-L32 HydrophobicContact CG2-CD1 4.45Å; L28-L32 HydrophobicContact CD1-CD1 3.92Å; L28-L32 HydrophobicContact CD1-CG 3.94Å; L28-L32 HydrophobicContact CG-CD1 3.97Å; L28-L32 HydrophobicContact CG-CG 4.42Å; L28-L32 WeakPolarHBondContact O-CB 3.4Å; L28-L32 PolarHBondContact O-N 3.46Å; K30-L32 PolarHBondContact O-N 3.47Å; L32-E34 VanDerWaalsContact C-N 3.34Å; L32-I35 PolarHBondContact O-N 3.41Å; L32-T36 WeakPolarHBondContact O-CB 3.45Å; L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-T36 PolarHBondContact O-N 3.07Å; L32-T36 PolarHBondContact O-OG1 3.27Å; L32-T40 HydrophobicContact CB-CG2 4.44Å; L32-T40 WeakPolarHBondContact CB-OG1 3.41Å; L32-P95 HydrophobicContact CB-CB 4.11Å; L32-P95 HydrophobicContact CB-CG 4.31Å; L32-P95 HydrophobicContact CD1-CB 4.15Å; L32-V97 HydrophobicContact CD1-CG2 3.59Å; L32-V215 HydrophobicContact CD2-CG1 3.74Å; L32-V215 HydrophobicContact CG-CG1 4.4Å; L32-L219 HydrophobicContact CD2-CD1 3.92Å
33S97.3Very high97.3Very high31 Ų3155.2 Ų55.222%0.21729%0.291CS..Hα-helixtrans-63.9-42.1175.6-56.80000112A29 K30 A31 Q37 R38 T40A29-S33 WeakPolarHBondContact O-CB 3.41Å; A29-S33 PolarHBondContact O-N 2.65Å; A29-S33 PolarHBondContact O-OG 3.33Å; K30-S33 WeakPolarHBondContact O-CB 3.35Å; K30-S33 PolarHBondContact O-N 2.82Å; K30-S33 VanDerWaalsContact O-N 3.16Å; A31-S33 VanDerWaalsContact C-N 3.3Å; A31-S33 PolarHBondContact O-N 2.88Å; S33-Q37 WeakPolarHBondContact O-CA 3.41Å; S33-Q37 PolarHBondContact O-N 3.08Å; S33-R38 WeakPolarHBondContact CA-O 3.09Å; S33-R38 WeakPolarHBondContact CB-O 3.47Å; S33-R38 PolarHBondContact O-N 3.43Å; S33-T40 PolarHBondContact N-OG1 3.01Å; S33-T40 VanDerWaalsContact OG-CB 3.24Å; S33-T40 WeakPolarHBondContact OG-CB 3.05Å; S33-T40 PolarHBondContact OG-N 3.23Å; S33-T40 PolarHBondContact OG-OG1 3.37Å
34E96.5Very high97.3Very high115 Ų11556.8 Ų56.854%0.53729%0.291SS..Hα-helixtrans-66.3-43.8175.6-69.1172.4-173.500111.9K30 A31 L32 Q37K30-E34 WeakPolarHBondContact CE-OE1 3.4Å; K30-E34 WeakPolarHBondContact O-CG 3.28Å; K30-E34 PolarHBondContact O-N 3.33Å; A31-E34 PolarHBondContact O-N 2.97Å; L32-E34 VanDerWaalsContact C-N 3.34Å; E34-Q37 PolarHBondContact O-NE2 3.42Å
35I93.8Very high97.3Very high76 Ų7656.7 Ų56.739%0.3929%0.291SS..Hα-helixtrans-65.7-45.7-179.8-70.4165.7000111.4A31 L32 M212 L219A31-I35 VanDerWaalsContact O-CG1 3.26Å; A31-I35 WeakPolarHBondContact O-CG1 3.45Å; A31-I35 PolarHBondContact O-N 3.41Å; L32-I35 PolarHBondContact O-N 3.41Å; I35-M212 HydrophobicContact CD1-CE 3.53Å; I35-L219 HydrophobicContact CG2-CD1 4.16Å
36T91.5Very high97.3Very high26 Ų2657.1 Ų57.116%0.1629%0.293CS..Hα-helixtrans-92-8.5-171.965.80000113.9M5 L32 R38 P95M5-T36 HydrophobicContact CE-CG2 3.89Å; L32-T36 WeakPolarHBondContact O-CB 3.45Å; L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-T36 PolarHBondContact O-N 3.07Å; L32-T36 PolarHBondContact O-OG1 3.27Å; T36-R38 PolarHBondContact O-N 2.96Å; T36-P95 HydrophobicContact CG2-CG 3.64Å; T36-P95 WeakPolarHBondContact OG1-CG 3.49Å
37Q94.2Very high97.3Very high156 Ų15653.9 Ų53.973%0.72927%0.269SS*.THydrogen-bonded Turntrans57.234.7-176-58.6-69.6-4500112.3S33 E34S33-Q37 WeakPolarHBondContact O-CA 3.41Å; S33-Q37 PolarHBondContact O-N 3.08Å; E34-Q37 PolarHBondContact O-NE2 3.42Å
38R94.6Very high97.2Very high72 Ų7254.6 Ų54.627%0.27227%0.268SS..SBendtrans-142.5134.9180-68.8174.5178-108.819.7108.8S33 T36 T40 N92 G93S33-R38 WeakPolarHBondContact CA-O 3.09Å; S33-R38 WeakPolarHBondContact CB-O 3.47Å; S33-R38 PolarHBondContact O-N 3.43Å; T36-R38 PolarHBondContact O-N 2.96Å; R38-T40 PolarHBondContact O-N 2.89Å; R38-T40 VanDerWaalsContact O-N 3.14Å; R38-N92 VanDerWaalsContact CZ-O 3.27Å; R38-N92 PolarHBondContact NH1-O 3.08Å; R38-N92 PolarHBondContact NH2-O 3.45Å; R38-G93 WeakPolarHBondContact CD-O 3.46Å
39E97.9Very high97Very high176 Ų17661.1 Ų61.182%0.82230%0.303SS*.  trans-61.5117.2177-175.3174.5-161.100110.6I94E39-I94 WeakPolarHBondContact O-CG2 3.39Å
40T98.5Very high96.9Very high10 Ų1061.7 Ų61.76%0.06131%0.306CS..  trans-72130.2-178.4-65.20000110.7A29 L32 S33 R38 S42 P95 V97A29-T40 HydrophobicContact CB-CG2 3.85Å; A29-T40 WeakPolarHBondContact O-CB 3.35Å; A29-T40 PolarHBondContact O-OG1 3.24Å; L32-T40 HydrophobicContact CB-CG2 4.44Å; L32-T40 WeakPolarHBondContact CB-OG1 3.41Å; S33-T40 PolarHBondContact N-OG1 3.01Å; S33-T40 VanDerWaalsContact OG-CB 3.24Å; S33-T40 WeakPolarHBondContact OG-CB 3.05Å; S33-T40 PolarHBondContact OG-N 3.23Å; S33-T40 PolarHBondContact OG-OG1 3.37Å; R38-T40 PolarHBondContact O-N 2.89Å; R38-T40 VanDerWaalsContact O-N 3.14Å; T40-S42 PolarHBondContact O-N 3.1Å; T40-P95 WeakPolarHBondContact CA-O 3.46Å; T40-P95 HydrophobicContact CG2-CB 3.97Å; T40-P95 WeakPolarHBondContact CG2-O 3.4Å; T40-V97 HydrophobicContact CG2-CB 4.35Å; T40-V97 HydrophobicContact CG2-CG2 3.77Å
41L98.6Very high96.8Very high31 Ų3160.1 Ų60.116%0.16231%0.309CS..EExtended strand (participates in β ladder)trans-72.3114.4172.4174.964.4000109.3V43 E85 I86 A89 I94 P95 V96 V97L41-V43 HydrophobicContact CD1-CG1 4.26Å; L41-V43 HydrophobicContact CD2-CG1 4.35Å; L41-V43 HydrophobicContact CG-CG1 4.08Å; L41-E85 HydrophobicContact CD1-CG 4.34Å; L41-E85 WeakPolarHBondContact CD1-OE1 3.44Å; L41-E85 HydrophobicContact CD2-CG 3.86Å; L41-I86 HydrophobicContact CD2-CG1 4.39Å; L41-A89 HydrophobicContact CB-CB 4.16Å; L41-A89 HydrophobicContact CD2-CB 3.67Å; L41-I94 HydrophobicContact CB-CG2 4.48Å; L41-P95 PolarHBondContact N-O 3.14Å; L41-V96 HydrophobicContact CB-CG2 4.23Å; L41-V96 HydrophobicContact CD2-CG1 4.32Å; L41-V96 HydrophobicContact CD2-CG2 4.19Å; L41-V96 HydrophobicContact CG-CG1 4.44Å; L41-V96 CarbonylContact O-C 3.54Å; L41-V96 VanDerWaalsContact O-CA 3.3Å; L41-V96 WeakPolarHBondContact O-CA 3.39Å; L41-V97 PolarHBondContact O-N 3.13Å
42S98.5Very high96.7Very high73 Ų7361.8 Ų61.851%0.5132%0.316SS..EExtended strand (participates in β ladder)trans-99.6124.4174.6-580000110.1A29 T40 V97A29-S42 WeakPolarHBondContact CB-OG 3.46Å; T40-S42 PolarHBondContact O-N 3.1Å; S42-V97 WeakPolarHBondContact CA-O 3.24Å
43V98.5Very high96.6Very high14 Ų1461.8 Ų61.89%0.08532%0.316CS..EExtended strand (participates in β ladder)trans-124.6153.5175.4-63.80000110.4L41 F45 I86 V96 V97 A98 D99L41-V43 HydrophobicContact CD1-CG1 4.26Å; L41-V43 HydrophobicContact CD2-CG1 4.35Å; L41-V43 HydrophobicContact CG-CG1 4.08Å; V43-F45 HydrophobicContact CB-CE2 4.16Å; V43-F45 HydrophobicContact CB-CZ 4.43Å; V43-F45 HydrophobicContact CG2-CE2 3.75Å; V43-F45 HydrophobicContact CG2-CZ 4.37Å; V43-I86 HydrophobicContact CG1-CG1 4.47Å; V43-I86 HydrophobicContact CG2-CD1 4.28Å; V43-V96 HydrophobicContact CG2-CG1 4.31Å; V43-V97 PolarHBondContact N-O 2.74Å; V43-A98 HydrophobicContact CG2-CB 3.68Å; V43-A98 CarbonylContact O-C 3.58Å; V43-A98 VanDerWaalsContact O-CA 3.29Å; V43-A98 WeakPolarHBondContact O-CA 3.5Å; V43-D99 PolarHBondContact O-N 3.31Å
44K98.4Very high96.6Very high106 Ų10665.4 Ų65.446%0.46133%0.329SS..EExtended strand (participates in β ladder)trans-136.8134.9178.3176.9171.5-179.6172.10109.2T22 P46 D47 D99T22-K44 PolarHBondContact OG1-NZ 3.49Å; K44-P46 CarbonylContact O-C 3.6Å; K44-D47 WeakPolarHBondContact O-CA 3.34Å; K44-D47 PolarHBondContact O-N 3.49Å; K44-D99 WeakPolarHBondContact CA-O 3.31Å; K44-D99 HydrophobicContact CB-CB 4.2Å; K44-D99 HydrophobicContact CD-CB 4.5Å; K44-D99 HydrophobicContact CG-CB 4.02Å; K44-D99 IonicContact NZ-OD2 2.91Å
45F98.4Very high96.5Very high6 Ų665.6 Ų65.63%0.02633%0.329CS..SBendtrans-118.5136.2178.9-65.4-73.6000112.2V43 R79 R82 I86 D99 R100 Y101V43-F45 HydrophobicContact CB-CE2 4.16Å; V43-F45 HydrophobicContact CB-CZ 4.43Å; V43-F45 HydrophobicContact CG2-CE2 3.75Å; V43-F45 HydrophobicContact CG2-CZ 4.37Å; F45-R79 HydrophobicContact CD1-CB 4.49Å; F45-R79 HydrophobicContact CD1-CG 3.69Å; F45-R79 HydrophobicContact CD2-CG 4.33Å; F45-R79 HydrophobicContact CE1-CB 4.27Å; F45-R79 HydrophobicContact CE1-CG 3.9Å; F45-R79 HydrophobicContact CE2-CG 4.48Å; F45-R79 HydrophobicContact CG-CG 3.92Å; F45-R79 HydrophobicContact CZ-CG 4.28Å; F45-R82 HydrophobicContact CE1-CB 3.94Å; F45-R82 HydrophobicContact CE1-CG 3.77Å; F45-R82 HydrophobicContact CZ-CB 3.68Å; F45-R82 HydrophobicContact CZ-CG 3.91Å; F45-I86 HydrophobicContact CE2-CD1 4.32Å; F45-I86 HydrophobicContact CZ-CD1 4.13Å; F45-D99 PolarHBondContact N-O 3.05Å; F45-R100 WeakPolarHBondContact CD2-O 3.34Å; F45-R100 WeakPolarHBondContact O-CB 3.5Å; F45-R100 WeakPolarHBondContact O-CD 3.44Å; F45-Y101 AromaticContact CD2-CD2 3.75Å; F45-Y101 HydrophobicContact CD2-CD2 3.75Å; F45-Y101 HydrophobicContact CD2-CE2 4.4Å; F45-Y101 AromaticContact CE2-CD2 3.64Å; F45-Y101 HydrophobicContact CE2-CD2 3.64Å; F45-Y101 AromaticContact CE2-CE2 3.87Å; F45-Y101 HydrophobicContact CE2-CE2 3.87Å; F45-Y101 HydrophobicContact CZ-CD2 4.49Å; F45-Y101 HydrophobicContact CZ-CE2 4.36Å
46P98Very high96.6Very high19 Ų1962 Ų6212%0.12331%0.311CS..SBendcis-64.5143.4-731.5-37.2000111.4K44 R48 L56 L60 F75 N78K44-P46 CarbonylContact O-C 3.6Å; P46-R48 HydrophobicContact CG-CG 4.24Å; P46-R48 PolarHBondContact O-N 3.07Å; P46-L56 HydrophobicContact CB-CB 4.38Å; P46-L56 HydrophobicContact CB-CD1 3.88Å; P46-L60 HydrophobicContact CG-CD1 3.94Å; P46-F75 HydrophobicContact CB-CD1 4.11Å; P46-F75 HydrophobicContact CB-CE1 3.87Å; P46-F75 HydrophobicContact CG-CE1 3.89Å; P46-N78 VanDerWaalsContact CA-OD1 3.26Å; P46-N78 WeakPolarHBondContact CA-OD1 3.05Å
47D97.8Very high96.9Very high13 Ų1363 Ų637%0.0732%0.316CS..  trans-81.198.7169.7173.412.1000108.3K44 D49 T50 G53 N78 R82K44-D47 WeakPolarHBondContact O-CA 3.34Å; K44-D47 PolarHBondContact O-N 3.49Å; D47-D49 PolarHBondContact O-N 3.17Å; D47-D49 PolarHBondContact OD1-N 3.19Å; D47-T50 PolarHBondContact O-OG1 3.48Å; D47-T50 VanDerWaalsContact OD2-CG2 3.28Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.34Å; D47-G53 WeakPolarHBondContact O-CA 3.31Å; D47-N78 PolarHBondContact N-OD1 3.2Å; D47-N78 PolarHBondContact O-ND2 3.14Å; D47-R82 IonicContact OD1-NH2 4Å; D47-R82 IonicContact OD2-CZ 3.99Å; D47-R82 IonicContact OD2-NE 3.78Å; D47-R82 PolarHBondContact OD2-NE 3.05Å; D47-R82 IonicContact OD2-NH2 3.93Å; D47-R82 PolarHBondContact OD2-NH2 3.32Å
48R96.5Very high96.9Very high73 Ų7357.8 Ų57.828%0.27530%0.296SS..THydrogen-bonded Turntrans-75.1-8.4-172.8-63.3-178.3178.9-166.210.8113.5P46 H54 D57 E155P46-R48 HydrophobicContact CG-CG 4.24Å; P46-R48 PolarHBondContact O-N 3.07Å; R48-H54 PolarHBondContact O-CD2 3.04Å; R48-H54 PolarHBondContact O-NE2 2.94Å; R48-D57 HydrophobicContact CB-CB 4.3Å; R48-D57 VanDerWaalsContact CD-OD1 3.24Å; R48-D57 WeakPolarHBondContact CD-OD1 3.38Å; R48-D57 HydrophobicContact CG-CB 4.06Å; R48-D57 IonicContact CZ-OD1 2.55Å; R48-D57 VanDerWaalsContact CZ-OD1 3.31Å; R48-D57 IonicContact NE-OD1 2.61Å; R48-D57 PolarHBondContact NE-OD1 3.28Å; R48-D57 IonicContact NH1-OD1 2.76Å; R48-D57 PolarHBondContact NH1-OD1 3.25Å; R48-E155 IonicContact CZ-OE1 3.71Å; R48-E155 VanDerWaalsContact CZ-OE1 3.25Å; R48-E155 IonicContact CZ-OE2 2.85Å; R48-E155 IonicContact NH1-OE1 2.81Å; R48-E155 PolarHBondContact NH1-OE1 2.97Å; R48-E155 IonicContact NH2-OE1 3.69Å; R48-E155 PolarHBondContact NH2-OE1 2.93Å; R48-E155 IonicContact NH2-OE2 3.88Å; R48-E155 PolarHBondContact NH2-OE2 3.21Å
49D96.2Very high97Very high136 Ų13655.1 Ų55.173%0.72729%0.286SS*.THydrogen-bonded Turntrans-86.3-10.7-177.4-62.3-28.6000113D47D47-D49 PolarHBondContact O-N 3.17Å; D47-D49 PolarHBondContact OD1-N 3.19Å
50T96.2Very high96.9Very high19 Ų1947.2 Ų47.212%0.11725%0.25CC..SBendtrans-84.6159.1176.160.50000111.4D47 L52 G53 H54 N78 E81D47-T50 PolarHBondContact O-OG1 3.48Å; D47-T50 VanDerWaalsContact OD2-CG2 3.28Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.34Å; T50-L52 VanDerWaalsContact C-N 3.3Å; T50-L52 PolarHBondContact O-N 3.5Å; T50-G53 CarbonylContact O-C 3.59Å; T50-G53 VanDerWaalsContact O-CA 3.3Å; T50-G53 WeakPolarHBondContact O-CA 3.38Å; T50-G53 PolarHBondContact O-N 3.25Å; T50-G53 WeakPolarHBondContact OG1-CA 3.35Å; T50-G53 PolarHBondContact OG1-N 3.48Å; T50-H54 PolarHBondContact O-N 3.34Å; T50-N78 PolarHBondContact OG1-ND2 2.9Å; T50-N78 VanDerWaalsContact OG1-ND2 3.1Å; T50-E81 PolarHBondContact OG1-OE2 2.89Å
51P95.7Very high96.6Very high97 Ų9749.5 Ų49.563%0.6327%0.266SS*.Hα-helixtrans-54.9-41172.2-27.436.1000113.8H55P51-H55 PolarHBondContact O-CD2 3.38Å
52L95.4Very high96.3Very high49 Ų4950.3 Ų50.326%0.25728%0.282SS..Hα-helixtrans-66.8-40.5172.7-66.2-174.1000111.3T50 H54 H55 L56 L74 A77 E81T50-L52 VanDerWaalsContact C-N 3.3Å; T50-L52 PolarHBondContact O-N 3.5Å; L52-H54 PolarHBondContact O-N 3.36Å; L52-H55 WeakPolarHBondContact O-CB 3.37Å; L52-H55 PolarHBondContact O-N 3.23Å; L52-H55 VanDerWaalsContact O-N 3.14Å; L52-L56 PolarHBondContact O-N 3.4Å; L52-L74 HydrophobicContact CD2-CD2 4.14Å; L52-A77 HydrophobicContact CD1-CB 3.84Å; L52-E81 HydrophobicContact CD1-CG 4.35Å; L52-E81 WeakPolarHBondContact CD1-OE1 3.13Å; L52-E81 WeakPolarHBondContact CG-OE1 3.49Å
53G96.8Very high96Very high0 Ų052.5 Ų52.50%029%0.287CS..Hα-helixtrans-52.5-45.9173.100000114D47 T50 H55 L56 D57D47-G53 WeakPolarHBondContact O-CA 3.31Å; T50-G53 CarbonylContact O-C 3.59Å; T50-G53 VanDerWaalsContact O-CA 3.3Å; T50-G53 WeakPolarHBondContact O-CA 3.38Å; T50-G53 PolarHBondContact O-N 3.25Å; T50-G53 WeakPolarHBondContact OG1-CA 3.35Å; T50-G53 PolarHBondContact OG1-N 3.48Å; G53-H55 VanDerWaalsContact C-N 3.31Å; G53-H55 PolarHBondContact O-N 3.39Å; G53-L56 WeakPolarHBondContact O-CB 3.5Å; G53-L56 PolarHBondContact O-N 3.38Å; G53-L56 VanDerWaalsContact O-N 3.16Å; G53-D57 WeakPolarHBondContact O-CB 3.49Å; G53-D57 PolarHBondContact O-N 3.27Å
54H95.7Very high95.6Very high106 Ų10654.1 Ų54.149%0.49131%0.307SS..Hα-helixtrans-61.9-36.8177.2-66.1149.8000112.7R48 T50 L52 S58R48-H54 PolarHBondContact O-CD2 3.04Å; R48-H54 PolarHBondContact O-NE2 2.94Å; T50-H54 PolarHBondContact O-N 3.34Å; L52-H54 PolarHBondContact O-N 3.36Å; H54-S58 WeakPolarHBondContact O-CB 3.13Å; H54-S58 PolarHBondContact O-N 3.39Å; H54-S58 PolarHBondContact O-OG 2.96Å
55H94.7Very high95.3Very high119 Ų11955.6 Ų55.655%0.55132%0.319SS*.Hα-helixtrans-67.6-40.8174.3-70.2-62.2000111.8P51 L52 G53 Y59P51-H55 PolarHBondContact O-CD2 3.38Å; L52-H55 WeakPolarHBondContact O-CB 3.37Å; L52-H55 PolarHBondContact O-N 3.23Å; L52-H55 VanDerWaalsContact O-N 3.14Å; G53-H55 VanDerWaalsContact C-N 3.31Å; G53-H55 PolarHBondContact O-N 3.39Å; H55-Y59 PolarHBondContact O-N 3.33Å; H55-Y59 VanDerWaalsContact O-N 3.12Å
56L97.1Very high95.1Very high0 Ų057.7 Ų57.70%033%0.33CS..Hα-helixtrans-64.7-42.5174.6-68.9171.8000111.7P46 L52 G53 Y59 L60 L71 L74 F75 N78P46-L56 HydrophobicContact CB-CB 4.38Å; P46-L56 HydrophobicContact CB-CD1 3.88Å; L52-L56 PolarHBondContact O-N 3.4Å; G53-L56 WeakPolarHBondContact O-CB 3.5Å; G53-L56 PolarHBondContact O-N 3.38Å; G53-L56 VanDerWaalsContact O-N 3.16Å; L56-Y59 PolarHBondContact O-N 3.12Å; L56-L60 WeakPolarHBondContact O-CB 3.32Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.39Å; L56-L60 PolarHBondContact O-N 2.94Å; L56-L71 HydrophobicContact CD2-CD1 3.92Å; L56-L74 HydrophobicContact CD2-CB 3.79Å; L56-L74 HydrophobicContact CG-CB 4.43Å; L56-F75 HydrophobicContact CB-CE1 4.48Å; L56-F75 HydrophobicContact CD1-CD1 3.84Å; L56-F75 HydrophobicContact CD1-CE1 4.1Å; L56-F75 HydrophobicContact CD1-CG 4.38Å; L56-F75 HydrophobicContact CD2-CD1 4Å; L56-F75 HydrophobicContact CD2-CD2 3.99Å; L56-F75 HydrophobicContact CD2-CE1 3.92Å; L56-F75 HydrophobicContact CD2-CE2 3.91Å; L56-F75 HydrophobicContact CD2-CG 4.03Å; L56-F75 HydrophobicContact CD2-CZ 3.87Å; L56-F75 HydrophobicContact CG-CD1 4.49Å; L56-F75 HydrophobicContact CG-CE1 4.4Å; L56-N78 HydrophobicContact CD1-CB 3.85Å
57D96.6Very high95.1Very high48 Ų4861.8 Ų61.826%0.25735%0.351SS..Hα-helixtrans-62.1-44.3176.9-177.158.7000112R48 G53 Y59 L60 S61R48-D57 HydrophobicContact CB-CB 4.3Å; R48-D57 VanDerWaalsContact CD-OD1 3.24Å; R48-D57 WeakPolarHBondContact CD-OD1 3.38Å; R48-D57 HydrophobicContact CG-CB 4.06Å; R48-D57 IonicContact CZ-OD1 2.55Å; R48-D57 VanDerWaalsContact CZ-OD1 3.31Å; R48-D57 IonicContact NE-OD1 2.61Å; R48-D57 PolarHBondContact NE-OD1 3.28Å; R48-D57 IonicContact NH1-OD1 2.76Å; R48-D57 PolarHBondContact NH1-OD1 3.25Å; G53-D57 WeakPolarHBondContact O-CB 3.49Å; G53-D57 PolarHBondContact O-N 3.27Å; D57-Y59 VanDerWaalsContact C-N 3.34Å; D57-Y59 PolarHBondContact O-N 2.72Å; D57-L60 PolarHBondContact O-N 2.91Å; D57-S61 VanDerWaalsContact O-CB 3.26Å; D57-S61 WeakPolarHBondContact O-CB 3.4Å; D57-S61 PolarHBondContact O-N 2.96Å; D57-S61 PolarHBondContact O-OG 3.09Å
58S95.5Very high95Very high46 Ų4663.9 Ų63.932%0.32236%0.36SS..Hα-helixtrans-57-49.1174.4-61.80000110.9H54 L60 S61 G62 I63H54-S58 WeakPolarHBondContact O-CB 3.13Å; H54-S58 PolarHBondContact O-N 3.39Å; H54-S58 PolarHBondContact O-OG 2.96Å; S58-L60 PolarHBondContact O-N 2.78Å; S58-S61 PolarHBondContact O-N 3.37Å; S58-G62 PolarHBondContact O-N 2.84Å; S58-I63 WeakPolarHBondContact O-CA 3.45Å; S58-I63 VanDerWaalsContact O-CB 3.3Å; S58-I63 WeakPolarHBondContact O-CB 3.47Å; S58-I63 PolarHBondContact O-N 3.48Å
59Y96.3Very high95.1Very high16 Ų1664.3 Ų64.36%0.06337%0.365CS..Hα-helixtrans-62.2-44.3178.9170.3-91.3000112.8H55 L56 D57 S61 G62 I66 L71 R156 Y157H55-Y59 PolarHBondContact O-N 3.33Å; H55-Y59 VanDerWaalsContact O-N 3.12Å; L56-Y59 PolarHBondContact O-N 3.12Å; D57-Y59 VanDerWaalsContact C-N 3.34Å; D57-Y59 PolarHBondContact O-N 2.72Å; Y59-S61 VanDerWaalsContact C-N 3.33Å; Y59-G62 PolarHBondContact O-N 2.82Å; Y59-G62 VanDerWaalsContact O-N 3.11Å; Y59-I66 HydrophobicContact CD2-CB 4.07Å; Y59-I66 HydrophobicContact CD2-CD1 4.03Å; Y59-I66 HydrophobicContact CD2-CG1 3.83Å; Y59-I66 HydrophobicContact CE2-CB 4.33Å; Y59-I66 HydrophobicContact CG-CD1 4.04Å; Y59-I66 HydrophobicContact CG-CG1 4.36Å; Y59-L71 HydrophobicContact CD1-CD1 3.63Å; Y59-L71 HydrophobicContact CD1-CD2 4.09Å; Y59-L71 HydrophobicContact CD2-CD1 4.48Å; Y59-L71 HydrophobicContact CE1-CD1 3.82Å; Y59-L71 HydrophobicContact CE1-CD2 3.36Å; Y59-L71 HydrophobicContact CE1-CG 4.23Å; Y59-L71 HydrophobicContact CE2-CD2 4.15Å; Y59-L71 HydrophobicContact CG-CD1 4Å; Y59-L71 WeakPolarHBondContact OH-CD2 3.18Å; Y59-R156 PolarHBondContact O-NE 2.72Å; Y59-R156 PolarHBondContact O-NH2 3.29Å; Y59-R156 WeakPolarHBondContact OH-CD 3.22Å; Y59-Y157 HydrophobicContact CE1-CE2 4.38Å; Y59-Y157 AromaticContact CE1-CZ 3.9Å; Y59-Y157 WeakPolarHBondContact CE1-OH 3.45Å; Y59-Y157 PolarHBondContact OH-OH 3.1Å
60L95.1Very high95.1Very high10 Ų1059.9 Ų59.95%0.05235%0.347CS..Hα-helixtrans-66.1-35.1178.4-72.6172.6000112.2P46 L56 D57 S58 G62 F75 E155 R156 Y157P46-L60 HydrophobicContact CG-CD1 3.94Å; L56-L60 WeakPolarHBondContact O-CB 3.32Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.39Å; L56-L60 PolarHBondContact O-N 2.94Å; D57-L60 PolarHBondContact O-N 2.91Å; S58-L60 PolarHBondContact O-N 2.78Å; L60-G62 PolarHBondContact O-N 2.94Å; L60-F75 HydrophobicContact CD1-CE1 4.47Å; L60-F75 HydrophobicContact CD1-CZ 4.29Å; L60-F75 HydrophobicContact CD2-CZ 4.3Å; L60-F75 HydrophobicContact CG-CZ 4.43Å; L60-E155 WeakPolarHBondContact O-CA 3.36Å; L60-R156 PolarHBondContact O-N 3.01Å; L60-Y157 HydrophobicContact CD2-CD2 3.79Å; L60-Y157 HydrophobicContact CD2-CE2 3.65Å
61S93.5Very high95.2Very high59 Ų5959 Ų5941%0.41334%0.342SS..THydrogen-bonded Turntrans-73.13.5172.6-59.50000113.8D57 S58 Y59D57-S61 VanDerWaalsContact O-CB 3.26Å; D57-S61 WeakPolarHBondContact O-CB 3.4Å; D57-S61 PolarHBondContact O-N 2.96Å; D57-S61 PolarHBondContact O-OG 3.09Å; S58-S61 PolarHBondContact O-N 3.37Å; Y59-S61 VanDerWaalsContact C-N 3.33Å
62G92.2Very high95.3Very high48 Ų4854.4 Ų54.450%0.49531%0.312SS..THydrogen-bonded Turntrans88.67.9176.600000114.9S58 Y59 L60S58-G62 PolarHBondContact O-N 2.84Å; Y59-G62 PolarHBondContact O-N 2.82Å; Y59-G62 VanDerWaalsContact O-N 3.11Å; L60-G62 PolarHBondContact O-N 2.94Å
63I91.5Very high95.4Very high118 Ų11855.7 Ų55.761%0.60532%0.318SS*.  trans-91.6113.5-178.5-55.3173.3000109.8S58S58-I63 WeakPolarHBondContact O-CA 3.45Å; S58-I63 VanDerWaalsContact O-CB 3.3Å; S58-I63 WeakPolarHBondContact O-CB 3.47Å; S58-I63 PolarHBondContact O-N 3.48Å
64G90.1Very high95.5Very high49 Ų4957.8 Ų57.851%0.50533%0.329SS..SBendtrans72.7172.3178.500000113.6R156G64-R156 PolarHBondContact O-NH2 3.06Å
65D92.6Very high95.6Very high136 Ų13654 Ų5473%0.72731%0.311SS*.  trans-123.6142.6175-73-44.2000110R156D65-R156 IonicContact OD1-CZ 3.72Å; D65-R156 IonicContact OD1-NH1 3.72Å; D65-R156 PolarHBondContact OD1-NH1 3.46Å; D65-R156 IonicContact OD1-NH2 2.68Å
66I94.6Very high95.8Very high50 Ų5048.6 Ų48.626%0.25629%0.287SS..  trans-123.5135.3178.9-57.1177.7000107.4Y59 K68 A70 L71 L74Y59-I66 HydrophobicContact CD2-CB 4.07Å; Y59-I66 HydrophobicContact CD2-CD1 4.03Å; Y59-I66 HydrophobicContact CD2-CG1 3.83Å; Y59-I66 HydrophobicContact CE2-CB 4.33Å; Y59-I66 HydrophobicContact CG-CD1 4.04Å; Y59-I66 HydrophobicContact CG-CG1 4.36Å; I66-K68 PolarHBondContact O-N 2.79Å; I66-A70 HydrophobicContact CG2-CB 4.03Å; I66-L71 HydrophobicContact CB-CB 4.23Å; I66-L71 HydrophobicContact CB-CD1 4.35Å; I66-L71 HydrophobicContact CD1-CD1 4.18Å; I66-L71 HydrophobicContact CG2-CB 3.83Å; I66-L71 HydrophobicContact CG2-CD1 4.44Å; I66-L74 HydrophobicContact CD1-CD1 4.06Å; I66-L74 HydrophobicContact CG2-CD1 4.23Å
67N96.1Very high95.9Very high105 Ų10550.3 Ų50.356%0.56130%0.301SS*.  trans-53.1137173.3177.3-75000110.1H69 A70 L71N67-H69 VanDerWaalsContact C-N 3.29Å; N67-H69 PolarHBondContact O-N 2.94Å; N67-H69 WeakPolarHBondContact OD1-CB 3.45Å; N67-H69 PolarHBondContact OD1-N 3.22Å; N67-A70 HydrophobicContact CB-CB 4.15Å; N67-A70 PolarHBondContact O-N 3.03Å; N67-A70 VanDerWaalsContact O-N 3.09Å; N67-L71 WeakPolarHBondContact O-CB 3.43Å; N67-L71 PolarHBondContact O-N 3.28Å
68K96.9Very high95.9Very high57 Ų5748 Ų4825%0.24829%0.289CS..Hα-helixtrans-61.6-31.8-172.3-62.3169-165.3158.60114.2I66 H72 K112 A113 P115 T116I66-K68 PolarHBondContact O-N 2.79Å; K68-H72 WeakPolarHBondContact O-CB 3.49Å; K68-H72 PolarHBondContact O-N 3.48Å; K68-K112 HydrophobicContact CD-CB 4.47Å; K68-K112 HydrophobicContact CD-CD 4.47Å; K68-K112 HydrophobicContact CG-CD 4.29Å; K68-A113 PolarHBondContact NZ-O 3.38Å; K68-P115 WeakPolarHBondContact CD-O 3.49Å; K68-P115 PolarHBondContact NZ-O 3.49Å; K68-T116 HydrophobicContact CD-CG2 4.29Å
69H97.6Very high96.1Very high83 Ų8346.1 Ų46.138%0.38428%0.275SS..Hα-helixtrans-70-49.1173.4-67.582.2000110.6N67 L71 H72 L73 P117 W121N67-H69 VanDerWaalsContact C-N 3.29Å; N67-H69 PolarHBondContact O-N 2.94Å; N67-H69 WeakPolarHBondContact OD1-CB 3.45Å; N67-H69 PolarHBondContact OD1-N 3.22Å; H69-L71 VanDerWaalsContact C-N 3.29Å; H69-L71 PolarHBondContact O-N 3.49Å; H69-H72 PolarHBondContact O-N 3.4Å; H69-L73 WeakPolarHBondContact O-CG 3.3Å; H69-L73 PolarHBondContact O-N 3.38Å; H69-P117 HydrophobicContact CB-CG 4.38Å; H69-P117 WeakPolarHBondContact NE2-CA 3.44Å; H69-W121 HydrophobicContact CB-CH2 4.41Å
70A97.3Very high96.2Very high43 Ų4350.5 Ų50.536%0.35529%0.291SS..Hα-helixtrans-58.6-42.9176.900000111.4I66 N67 L73 L74I66-A70 HydrophobicContact CG2-CB 4.03Å; N67-A70 HydrophobicContact CB-CB 4.15Å; N67-A70 PolarHBondContact O-N 3.03Å; N67-A70 VanDerWaalsContact O-N 3.09Å; A70-L73 PolarHBondContact O-N 3.4Å; A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 3.22Å
71L97.5Very high96.3Very high0 Ų054.1 Ų54.10%031%0.308CS..Hα-helixtrans-61.9-45177.3-178.867000112.1L56 Y59 I66 N67 H69 L73 L74 F75L56-L71 HydrophobicContact CD2-CD1 3.92Å; Y59-L71 HydrophobicContact CD1-CD1 3.63Å; Y59-L71 HydrophobicContact CD1-CD2 4.09Å; Y59-L71 HydrophobicContact CD2-CD1 4.48Å; Y59-L71 HydrophobicContact CE1-CD1 3.82Å; Y59-L71 HydrophobicContact CE1-CD2 3.36Å; Y59-L71 HydrophobicContact CE1-CG 4.23Å; Y59-L71 HydrophobicContact CE2-CD2 4.15Å; Y59-L71 HydrophobicContact CG-CD1 4Å; Y59-L71 WeakPolarHBondContact OH-CD2 3.18Å; I66-L71 HydrophobicContact CB-CB 4.23Å; I66-L71 HydrophobicContact CB-CD1 4.35Å; I66-L71 HydrophobicContact CD1-CD1 4.18Å; I66-L71 HydrophobicContact CG2-CB 3.83Å; I66-L71 HydrophobicContact CG2-CD1 4.44Å; N67-L71 WeakPolarHBondContact O-CB 3.43Å; N67-L71 PolarHBondContact O-N 3.28Å; H69-L71 VanDerWaalsContact C-N 3.29Å; H69-L71 PolarHBondContact O-N 3.49Å; L71-L73 VanDerWaalsContact C-N 3.31Å; L71-L73 PolarHBondContact O-N 3.06Å; L71-L74 PolarHBondContact O-N 3.19Å; L71-F75 HydrophobicContact CD1-CD2 4.16Å; L71-F75 HydrophobicContact CD1-CE2 3.69Å; L71-F75 HydrophobicContact CD2-CE2 4.32Å; L71-F75 HydrophobicContact CG-CD2 4.05Å; L71-F75 HydrophobicContact CG-CE2 3.79Å; L71-F75 VanDerWaalsContact O-CD2 3.26Å; L71-F75 WeakPolarHBondContact O-CD2 3.36Å; L71-F75 PolarHBondContact O-N 3.35Å; L71-F75 VanDerWaalsContact O-N 3.07Å
72H98.2Very high96.5Very high0 Ų054.6 Ų54.60%030%0.301CS..Hα-helixtrans-61-42.6176.8-174.284.4000111.4K68 H69 L74 F75 T76 G105 T109 W121 C122 E126K68-H72 WeakPolarHBondContact O-CB 3.49Å; K68-H72 PolarHBondContact O-N 3.48Å; H69-H72 PolarHBondContact O-N 3.4Å; H72-L74 VanDerWaalsContact C-N 3.35Å; H72-L74 PolarHBondContact O-N 3.18Å; H72-F75 PolarHBondContact O-N 3.12Å; H72-T76 WeakPolarHBondContact O-CB 3.47Å; H72-T76 PolarHBondContact O-N 2.98Å; H72-T76 PolarHBondContact O-OG1 3.07Å; H72-G105 PolarHBondContact ND1-O 3.35Å; H72-T109 HydrophobicContact CB-CG2 4.3Å; H72-T109 PolarHBondContact ND1-OG1 2.75Å; H72-W121 HydrophobicContact CB-CZ3 4.23Å; H72-W121 AromaticContact CD2-CZ3 3.5Å; H72-W121 VanDerWaalsContact CD2-CZ3 3.5Å; H72-W121 WeakPolarHBondContact CD2-CZ3 3.47Å; H72-C122 WeakPolarHBondContact NE2-CA 3.47Å; H72-C122 PolarHBondContact NE2-O 3.4Å; H72-E126 IonicContact CE1-OE1 3.06Å
73L98.2Very high96.8Very high76 Ų7652.9 Ų52.940%0.39828%0.279SS..Hα-helixtrans-65.5-34.6175.3-65.8175.2000112.7H69 A70 L71 T76 A77 W121 M125H69-L73 WeakPolarHBondContact O-CG 3.3Å; H69-L73 PolarHBondContact O-N 3.38Å; A70-L73 PolarHBondContact O-N 3.4Å; L71-L73 VanDerWaalsContact C-N 3.31Å; L71-L73 PolarHBondContact O-N 3.06Å; L73-T76 WeakPolarHBondContact O-CB 3.44Å; L73-T76 PolarHBondContact O-N 3.22Å; L73-A77 VanDerWaalsContact O-CB 3.31Å; L73-A77 WeakPolarHBondContact O-CB 3.48Å; L73-A77 PolarHBondContact O-N 3.09Å; L73-W121 HydrophobicContact CD1-CH2 4.35Å; L73-W121 HydrophobicContact CD2-CH2 3.78Å; L73-W121 HydrophobicContact CD2-CZ2 4.1Å; L73-W121 HydrophobicContact CG-CH2 3.88Å; L73-W121 HydrophobicContact CG-CZ2 4.42Å; L73-M125 HydrophobicContact CD2-CB 4.29Å; L73-M125 HydrophobicContact CD2-CG 3.78Å; L73-M125 HydrophobicContact CD2-SD 3.71Å
74L97.9Very high97.1Very high45 Ų4551 Ų5124%0.23628%0.282CS..Hα-helixtrans-65.4-43.9174.6-73.3172.5000111.8L52 L56 I66 A70 L71 H72 T76 A77 N78L52-L74 HydrophobicContact CD2-CD2 4.14Å; L56-L74 HydrophobicContact CD2-CB 3.79Å; L56-L74 HydrophobicContact CG-CB 4.43Å; I66-L74 HydrophobicContact CD1-CD1 4.06Å; I66-L74 HydrophobicContact CG2-CD1 4.23Å; A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 3.22Å; L71-L74 PolarHBondContact O-N 3.19Å; H72-L74 VanDerWaalsContact C-N 3.35Å; H72-L74 PolarHBondContact O-N 3.18Å; L74-T76 VanDerWaalsContact C-N 3.28Å; L74-T76 PolarHBondContact O-N 3.05Å; L74-A77 PolarHBondContact O-N 3.1Å; L74-N78 WeakPolarHBondContact O-CB 3.17Å; L74-N78 PolarHBondContact O-N 2.9Å
75F98.4Very high97.5Very high25 Ų2552.6 Ų52.611%0.1128%0.276CS..Hα-helixtrans-60.9-39.3172.7-80-67.5000112P46 L56 L60 L71 H72 N78 R79P46-F75 HydrophobicContact CB-CD1 4.11Å; P46-F75 HydrophobicContact CB-CE1 3.87Å; P46-F75 HydrophobicContact CG-CE1 3.89Å; L56-F75 HydrophobicContact CB-CE1 4.48Å; L56-F75 HydrophobicContact CD1-CD1 3.84Å; L56-F75 HydrophobicContact CD1-CE1 4.1Å; L56-F75 HydrophobicContact CD1-CG 4.38Å; L56-F75 HydrophobicContact CD2-CD1 4Å; L56-F75 HydrophobicContact CD2-CD2 3.99Å; L56-F75 HydrophobicContact CD2-CE1 3.92Å; L56-F75 HydrophobicContact CD2-CE2 3.91Å; L56-F75 HydrophobicContact CD2-CG 4.03Å; L56-F75 HydrophobicContact CD2-CZ 3.87Å; L56-F75 HydrophobicContact CG-CD1 4.49Å; L56-F75 HydrophobicContact CG-CE1 4.4Å; L60-F75 HydrophobicContact CD1-CE1 4.47Å; L60-F75 HydrophobicContact CD1-CZ 4.29Å; L60-F75 HydrophobicContact CD2-CZ 4.3Å; L60-F75 HydrophobicContact CG-CZ 4.43Å; L71-F75 HydrophobicContact CD1-CD2 4.16Å; L71-F75 HydrophobicContact CD1-CE2 3.69Å; L71-F75 HydrophobicContact CD2-CE2 4.32Å; L71-F75 HydrophobicContact CG-CD2 4.05Å; L71-F75 HydrophobicContact CG-CE2 3.79Å; L71-F75 VanDerWaalsContact O-CD2 3.26Å; L71-F75 WeakPolarHBondContact O-CD2 3.36Å; L71-F75 PolarHBondContact O-N 3.35Å; L71-F75 VanDerWaalsContact O-N 3.07Å; H72-F75 PolarHBondContact O-N 3.12Å; F75-N78 PolarHBondContact O-N 2.87Å; F75-R79 PolarHBondContact O-N 2.96Å; F75-R79 PolarHBondContact O-NH2 3.46Å
76T98.6Very high97.7Very high7 Ų746.1 Ų46.14%0.04324%0.241CC..Hα-helixtrans-65.2-48.8176.7-56.70000111.5H72 L73 L74 N78 R79 W80 M125H72-T76 WeakPolarHBondContact O-CB 3.47Å; H72-T76 PolarHBondContact O-N 2.98Å; H72-T76 PolarHBondContact O-OG1 3.07Å; L73-T76 WeakPolarHBondContact O-CB 3.44Å; L73-T76 PolarHBondContact O-N 3.22Å; L74-T76 VanDerWaalsContact C-N 3.28Å; L74-T76 PolarHBondContact O-N 3.05Å; T76-N78 VanDerWaalsContact C-N 3.27Å; T76-N78 PolarHBondContact O-N 3.27Å; T76-R79 WeakPolarHBondContact O-CB 3.45Å; T76-R79 PolarHBondContact O-N 3.04Å; T76-R79 VanDerWaalsContact O-N 3.1Å; T76-R79 PolarHBondContact OG1-NH2 2.85Å; T76-W80 VanDerWaalsContact O-CD1 3.23Å; T76-W80 PolarHBondContact O-N 2.72Å; T76-W80 VanDerWaalsContact O-N 3.07Å; T76-M125 HydrophobicContact CG2-CB 4.38Å; T76-M125 WeakPolarHBondContact CG2-O 3.38Å
77A98.4Very high97.9Very high35 Ų3550.1 Ų50.129%0.28925%0.254SS..Hα-helixtrans-58.1-40.5176.100000111.8L52 L73 L74 R79 W80 E81L52-A77 HydrophobicContact CD1-CB 3.84Å; L73-A77 VanDerWaalsContact O-CB 3.31Å; L73-A77 WeakPolarHBondContact O-CB 3.48Å; L73-A77 PolarHBondContact O-N 3.09Å; L74-A77 PolarHBondContact O-N 3.1Å; A77-R79 VanDerWaalsContact C-N 3.3Å; A77-R79 PolarHBondContact O-N 3.28Å; A77-W80 CarbonylContact O-C 3.59Å; A77-W80 WeakPolarHBondContact O-CA 3.46Å; A77-W80 WeakPolarHBondContact O-CB 3.38Å; A77-W80 PolarHBondContact O-N 3.45Å; A77-E81 WeakPolarHBondContact O-CG 3.49Å; A77-E81 PolarHBondContact O-N 3.27Å
78N98.4Very high98Very high1 Ų151.8 Ų51.81%0.00526%0.256CS..Hα-helixtrans-63.5-32.2177.3-176.7-117.5000113.4P46 D47 T50 L56 L74 F75 T76 E81P46-N78 VanDerWaalsContact CA-OD1 3.26Å; P46-N78 WeakPolarHBondContact CA-OD1 3.05Å; D47-N78 PolarHBondContact N-OD1 3.2Å; D47-N78 PolarHBondContact O-ND2 3.14Å; T50-N78 PolarHBondContact OG1-ND2 2.9Å; T50-N78 VanDerWaalsContact OG1-ND2 3.1Å; L56-N78 HydrophobicContact CD1-CB 3.85Å; L74-N78 WeakPolarHBondContact O-CB 3.17Å; L74-N78 PolarHBondContact O-N 2.9Å; F75-N78 PolarHBondContact O-N 2.87Å; T76-N78 VanDerWaalsContact C-N 3.27Å; T76-N78 PolarHBondContact O-N 3.27Å; N78-E81 WeakPolarHBondContact CA-OE2 3.32Å; N78-E81 PolarHBondContact ND2-OE2 3.2Å
79R98.6Very high98Very high5 Ų549.5 Ų49.52%0.01925%0.248CC..Hα-helixtrans-68.9-41.6168.4-74.7-178.2-70.9-83.8-12.8112.2F45 F75 T76 A77 E81 R82 Q83 Y101 E126 L129F45-R79 HydrophobicContact CD1-CB 4.49Å; F45-R79 HydrophobicContact CD1-CG 3.69Å; F45-R79 HydrophobicContact CD2-CG 4.33Å; F45-R79 HydrophobicContact CE1-CB 4.27Å; F45-R79 HydrophobicContact CE1-CG 3.9Å; F45-R79 HydrophobicContact CE2-CG 4.48Å; F45-R79 HydrophobicContact CG-CG 3.92Å; F45-R79 HydrophobicContact CZ-CG 4.28Å; F75-R79 PolarHBondContact O-N 2.96Å; F75-R79 PolarHBondContact O-NH2 3.46Å; T76-R79 WeakPolarHBondContact O-CB 3.45Å; T76-R79 PolarHBondContact O-N 3.04Å; T76-R79 VanDerWaalsContact O-N 3.1Å; T76-R79 PolarHBondContact OG1-NH2 2.85Å; A77-R79 VanDerWaalsContact C-N 3.3Å; A77-R79 PolarHBondContact O-N 3.28Å; R79-E81 VanDerWaalsContact C-N 3.26Å; R79-E81 PolarHBondContact O-N 3.4Å; R79-R82 PolarHBondContact O-N 2.99Å; R79-Q83 PolarHBondContact O-N 2.71Å; R79-Y101 HydrophobicContact CB-CE2 4.37Å; R79-Y101 HydrophobicContact CG-CD2 4.13Å; R79-Y101 HydrophobicContact CG-CE2 4.09Å; R79-Y101 PolarHBondContact NH1-O 3.14Å; R79-Y101 VanDerWaalsContact NH1-O 3.13Å; R79-E126 IonicContact CZ-OE1 3.04Å; R79-E126 IonicContact CZ-OE2 3.91Å; R79-E126 IonicContact NE-OE1 3.12Å; R79-E126 IonicContact NE-OE2 2.7Å; R79-E126 PolarHBondContact NE-OE2 3.16Å; R79-E126 IonicContact NH1-OE1 3.39Å; R79-E126 IonicContact NH2-OE1 3.81Å; R79-E126 PolarHBondContact NH2-OE1 3.5Å; R79-E126 IonicContact NH2-OE2 2.61Å; R79-E126 PolarHBondContact NH2-OE2 3.5Å; R79-L129 HydrophobicContact CB-CD1 3.81Å; R79-L129 HydrophobicContact CB-CD2 4.2Å
80W98.4Very high98Very high109 Ų10946.5 Ų46.541%0.41323%0.234SC..Hα-helixtrans-61.4-32.3177-80107.1000113.2T76 A77 R82 Q83 K127 G128 L129T76-W80 VanDerWaalsContact O-CD1 3.23Å; T76-W80 PolarHBondContact O-N 2.72Å; T76-W80 VanDerWaalsContact O-N 3.07Å; A77-W80 CarbonylContact O-C 3.59Å; A77-W80 WeakPolarHBondContact O-CA 3.46Å; A77-W80 WeakPolarHBondContact O-CB 3.38Å; A77-W80 PolarHBondContact O-N 3.45Å; W80-R82 PolarHBondContact O-N 3.19Å; W80-Q83 HydrophobicContact CE3-CB 3.91Å; W80-Q83 HydrophobicContact CE3-CG 3.77Å; W80-Q83 HydrophobicContact CZ3-CB 4.39Å; W80-Q83 HydrophobicContact CZ3-CG 3.73Å; W80-Q83 WeakPolarHBondContact O-CB 3.37Å; W80-Q83 PolarHBondContact O-N 3.16Å; W80-K127 WeakPolarHBondContact CZ2-O 3.35Å; W80-G128 WeakPolarHBondContact CH2-O 3.39Å; W80-L129 HydrophobicContact CD2-CD2 3.58Å; W80-L129 HydrophobicContact CD2-CG 4.23Å; W80-L129 HydrophobicContact CE3-CD2 3.92Å; W80-L129 HydrophobicContact CG-CD2 3.92Å; W80-L129 HydrophobicContact CH2-CD2 4.44Å; W80-L129 HydrophobicContact CZ2-CD2 4.12Å; W80-L129 HydrophobicContact CZ2-CG 3.96Å; W80-L129 HydrophobicContact CZ3-CD2 4.35Å
81E97.4Very high97.9Very high86 Ų8647.2 Ų47.240%0.40224%0.236SC..Hα-helixtrans-57.4-28.1173.3-70.2177.413400112.7T50 L52 A77 N78 R79T50-E81 PolarHBondContact OG1-OE2 2.89Å; L52-E81 HydrophobicContact CD1-CG 4.35Å; L52-E81 WeakPolarHBondContact CD1-OE1 3.13Å; L52-E81 WeakPolarHBondContact CG-OE1 3.49Å; A77-E81 WeakPolarHBondContact O-CG 3.49Å; A77-E81 PolarHBondContact O-N 3.27Å; N78-E81 WeakPolarHBondContact CA-OE2 3.32Å; N78-E81 PolarHBondContact ND2-OE2 3.2Å; R79-E81 VanDerWaalsContact C-N 3.26Å; R79-E81 PolarHBondContact O-N 3.4Å
82R97.4Very high97.7Very high69 Ų6951 Ų5126%0.2626%0.257SS..Hα-helixtrans-102.2-8.9-179-64.7-60.9-174.3156.8-2.7114.4F45 D47 R79 W80 A84 E85 I86F45-R82 HydrophobicContact CE1-CB 3.94Å; F45-R82 HydrophobicContact CE1-CG 3.77Å; F45-R82 HydrophobicContact CZ-CB 3.68Å; F45-R82 HydrophobicContact CZ-CG 3.91Å; D47-R82 IonicContact OD1-NH2 4Å; D47-R82 IonicContact OD2-CZ 3.99Å; D47-R82 IonicContact OD2-NE 3.78Å; D47-R82 PolarHBondContact OD2-NE 3.05Å; D47-R82 IonicContact OD2-NH2 3.93Å; D47-R82 PolarHBondContact OD2-NH2 3.32Å; R79-R82 PolarHBondContact O-N 2.99Å; W80-R82 PolarHBondContact O-N 3.19Å; R82-A84 PolarHBondContact O-N 3.47Å; R82-E85 WeakPolarHBondContact CD-OE2 3.4Å; R82-E85 IonicContact CZ-OE2 3.46Å; R82-E85 IonicContact NH1-OE1 2.63Å; R82-E85 IonicContact NH1-OE2 3.23Å; R82-E85 PolarHBondContact NH1-OE2 2.93Å; R82-E85 WeakPolarHBondContact O-CB 3.44Å; R82-E85 PolarHBondContact O-N 3.36Å; R82-I86 HydrophobicContact CB-CD1 4.16Å; R82-I86 WeakPolarHBondContact O-CG1 3.43Å; R82-I86 PolarHBondContact O-N 2.85Å
83Q97.9Very high97.5Very high11 Ų1151.1 Ų51.15%0.05126%0.258CS..Hα-helixtrans-56.2-43.8-173.9175.369-8.400113.5R79 W80 E85 I86 R87 G128 L129R79-Q83 PolarHBondContact O-N 2.71Å; W80-Q83 HydrophobicContact CE3-CB 3.91Å; W80-Q83 HydrophobicContact CE3-CG 3.77Å; W80-Q83 HydrophobicContact CZ3-CB 4.39Å; W80-Q83 HydrophobicContact CZ3-CG 3.73Å; W80-Q83 WeakPolarHBondContact O-CB 3.37Å; W80-Q83 PolarHBondContact O-N 3.16Å; Q83-E85 VanDerWaalsContact C-N 3.35Å; Q83-E85 PolarHBondContact O-N 2.88Å; Q83-I86 PolarHBondContact O-N 2.84Å; Q83-R87 WeakPolarHBondContact O-CB 3.48Å; Q83-R87 PolarHBondContact O-N 3Å; Q83-G128 PolarHBondContact NE2-O 2.86Å; Q83-L129 HydrophobicContact CB-CD2 4.13Å; Q83-L129 HydrophobicContact CG-CD2 4.27Å
84A98.1Very high97.5Very high80 Ų8049.7 Ų49.766%0.66125%0.25SC*.Hα-helixtrans-66.4-37.3-178.500000112.3R82 K88R82-A84 PolarHBondContact O-N 3.47Å; A84-K88 VanDerWaalsContact O-CB 3.28Å; A84-K88 WeakPolarHBondContact O-CB 3.24Å; A84-K88 PolarHBondContact O-N 3.41Å; A84-K88 VanDerWaalsContact O-N 3.07Å
85E98.1Very high97.5Very high81 Ų8147.5 Ų47.538%0.37924%0.239SC..Hα-helixtrans-66.5-49.4176.6-175.8-177.6-164.400110.9L41 R82 Q83 R87 K88 A89L41-E85 HydrophobicContact CD1-CG 4.34Å; L41-E85 WeakPolarHBondContact CD1-OE1 3.44Å; L41-E85 HydrophobicContact CD2-CG 3.86Å; R82-E85 WeakPolarHBondContact CD-OE2 3.4Å; R82-E85 IonicContact CZ-OE2 3.46Å; R82-E85 IonicContact NH1-OE1 2.63Å; R82-E85 IonicContact NH1-OE2 3.23Å; R82-E85 PolarHBondContact NH1-OE2 2.93Å; R82-E85 WeakPolarHBondContact O-CB 3.44Å; R82-E85 PolarHBondContact O-N 3.36Å; Q83-E85 VanDerWaalsContact C-N 3.35Å; Q83-E85 PolarHBondContact O-N 2.88Å; E85-R87 PolarHBondContact O-N 2.89Å; E85-K88 PolarHBondContact O-N 2.94Å; E85-A89 PolarHBondContact O-N 3.22Å
86I98.5Very high97.5Very high0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-57.5-51.1177.4-67.6167.9000110.5F10 L41 V43 F45 R82 Q83 K88 A89 I90 V96 Y101 V130F10-I86 HydrophobicContact CD1-CG2 4.49Å; F10-I86 HydrophobicContact CE1-CG2 4.32Å; F10-I86 HydrophobicContact CZ-CG2 4.47Å; L41-I86 HydrophobicContact CD2-CG1 4.39Å; V43-I86 HydrophobicContact CG1-CG1 4.47Å; V43-I86 HydrophobicContact CG2-CD1 4.28Å; F45-I86 HydrophobicContact CE2-CD1 4.32Å; F45-I86 HydrophobicContact CZ-CD1 4.13Å; R82-I86 HydrophobicContact CB-CD1 4.16Å; R82-I86 WeakPolarHBondContact O-CG1 3.43Å; R82-I86 PolarHBondContact O-N 2.85Å; Q83-I86 PolarHBondContact O-N 2.84Å; I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 3.32Å; I86-A89 PolarHBondContact O-N 3.37Å; I86-I90 HydrophobicContact CG2-CD1 3.76Å; I86-I90 WeakPolarHBondContact O-CG1 3.41Å; I86-I90 PolarHBondContact O-N 2.87Å; I86-V96 HydrophobicContact CG1-CG1 4.37Å; I86-V96 HydrophobicContact CG2-CG1 4.31Å; I86-Y101 HydrophobicContact CD1-CE2 4.46Å; I86-V130 HydrophobicContact CG2-CB 4.31Å; I86-V130 HydrophobicContact CG2-CG2 4.4Å
87R97.8Very high97.5Very high135 Ų13546 Ų4651%0.50923%0.232SC..Hα-helixtrans-59.5-41.3179.5-173.2177.3-65.3-84.4-0.5112.1Q83 E85 S91 V130Q83-R87 WeakPolarHBondContact O-CB 3.48Å; Q83-R87 PolarHBondContact O-N 3Å; E85-R87 PolarHBondContact O-N 2.89Å; R87-S91 WeakPolarHBondContact O-CB 3.26Å; R87-S91 PolarHBondContact O-N 2.9Å; R87-S91 PolarHBondContact O-OG 3.43Å; R87-V130 HydrophobicContact CB-CG2 4.08Å
88K97.8Very high97.5Very high140 Ų14044.4 Ų44.461%0.60922%0.218SC*.Hα-helixtrans-67.3-39.3178.2-176.8-179.6178.6-174.80112.2A84 E85 I86 S91 N92A84-K88 VanDerWaalsContact O-CB 3.28Å; A84-K88 WeakPolarHBondContact O-CB 3.24Å; A84-K88 PolarHBondContact O-N 3.41Å; A84-K88 VanDerWaalsContact O-N 3.07Å; E85-K88 PolarHBondContact O-N 2.94Å; I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 3.32Å; K88-S91 WeakPolarHBondContact CA-OG 3.33Å; K88-S91 PolarHBondContact O-OG 3.21Å; K88-N92 WeakPolarHBondContact O-CB 3.49Å; K88-N92 VanDerWaalsContact O-CG 3.22Å; K88-N92 PolarHBondContact O-N 3.27Å; K88-N92 PolarHBondContact O-ND2 2.96Å
89A97.8Very high97.5Very high9 Ų944.6 Ų44.67%0.07422%0.219CC..Hα-helixtrans-61.7-52.3176.100000110.6L41 E85 I86 S91 N92 G93 I94 V96L41-A89 HydrophobicContact CB-CB 4.16Å; L41-A89 HydrophobicContact CD2-CB 3.67Å; E85-A89 PolarHBondContact O-N 3.22Å; I86-A89 PolarHBondContact O-N 3.37Å; A89-S91 PolarHBondContact O-N 3.33Å; A89-N92 PolarHBondContact O-N 3.32Å; A89-G93 PolarHBondContact O-N 3.48Å; A89-I94 CarbonylContact C-O 3.58Å; A89-I94 HydrophobicContact CB-CB 4.09Å; A89-I94 HydrophobicContact CB-CG2 4.19Å; A89-I94 WeakPolarHBondContact O-CB 3.33Å; A89-I94 PolarHBondContact O-N 3.28Å; A89-V96 HydrophobicContact CB-CG2 3.76Å
90I96.6Very high97.5Very high20 Ų2045.5 Ų45.510%0.10322%0.222CC..Hα-helixtrans-56.1-49.3177.3-67.5165.5000110.6Q7 G8 F10 I86 N92 G93 V96 V130Q7-I90 CarbonylContact C-O 3.5Å; Q7-I90 WeakPolarHBondContact CA-O 3.39Å; Q7-I90 HydrophobicContact CB-CG2 4.33Å; G8-I90 PolarHBondContact N-O 2.88Å; F10-I90 HydrophobicContact CB-CD1 3.82Å; F10-I90 HydrophobicContact CB-CG1 4.37Å; F10-I90 HydrophobicContact CD1-CD1 4.17Å; F10-I90 HydrophobicContact CG-CD1 4.14Å; I86-I90 HydrophobicContact CG2-CD1 3.76Å; I86-I90 WeakPolarHBondContact O-CG1 3.41Å; I86-I90 PolarHBondContact O-N 2.87Å; I90-N92 PolarHBondContact O-N 3Å; I90-N92 VanDerWaalsContact O-N 3.09Å; I90-G93 PolarHBondContact O-N 3.47Å; I90-V96 HydrophobicContact CD1-CG2 4.35Å; I90-V96 HydrophobicContact CG1-CG2 3.76Å; I90-V130 HydrophobicContact CD1-CG1 3.65Å
91S95.2Very high97.5Very high58 Ų5840.3 Ų40.341%0.40620%0.203SC..Hα-helixtrans-61.5-24.9-179.570.10000114Q7 R87 K88 A89Q7-S91 PolarHBondContact NE2-O 2.85Å; R87-S91 WeakPolarHBondContact O-CB 3.26Å; R87-S91 PolarHBondContact O-N 2.9Å; R87-S91 PolarHBondContact O-OG 3.43Å; K88-S91 WeakPolarHBondContact CA-OG 3.33Å; K88-S91 PolarHBondContact O-OG 3.21Å; A89-S91 PolarHBondContact O-N 3.33Å
92N94.6Very high97.6Very high80 Ų8037 Ų3743%0.42819%0.188SC..THydrogen-bonded Turntrans-90.84.5179.2-72-27.4000113.5R38 K88 A89 I90 I94R38-N92 VanDerWaalsContact CZ-O 3.27Å; R38-N92 PolarHBondContact NH1-O 3.08Å; R38-N92 PolarHBondContact NH2-O 3.45Å; K88-N92 WeakPolarHBondContact O-CB 3.49Å; K88-N92 VanDerWaalsContact O-CG 3.22Å; K88-N92 PolarHBondContact O-N 3.27Å; K88-N92 PolarHBondContact O-ND2 2.96Å; A89-N92 PolarHBondContact O-N 3.32Å; I90-N92 PolarHBondContact O-N 3Å; I90-N92 VanDerWaalsContact O-N 3.09Å; N92-I94 VanDerWaalsContact C-N 3.3Å; N92-I94 HydrophobicContact CB-CD1 4.15Å; N92-I94 HydrophobicContact CB-CG1 4.28Å
93G94.2Very high97.6Very high2 Ų234.1 Ų34.12%0.02118%0.177CC..THydrogen-bonded Turntrans77.115-175.700000113.7R38 A89 I90R38-G93 WeakPolarHBondContact CD-O 3.46Å; A89-G93 PolarHBondContact O-N 3.48Å; I90-G93 PolarHBondContact O-N 3.47Å
94I97Very high97.7Very high45 Ų4534 Ų3423%0.23118%0.178CC..  trans-90.1124.2179.9-63.8169.2000108.5G8 E39 L41 A89 N92G8-I94 WeakPolarHBondContact CA-O 3.48Å; E39-I94 WeakPolarHBondContact O-CG2 3.39Å; L41-I94 HydrophobicContact CB-CG2 4.48Å; A89-I94 CarbonylContact C-O 3.58Å; A89-I94 HydrophobicContact CB-CB 4.09Å; A89-I94 HydrophobicContact CB-CG2 4.19Å; A89-I94 WeakPolarHBondContact O-CB 3.33Å; A89-I94 PolarHBondContact O-N 3.28Å; N92-I94 VanDerWaalsContact C-N 3.3Å; N92-I94 HydrophobicContact CB-CD1 4.15Å; N92-I94 HydrophobicContact CB-CG1 4.28Å
95P97.8Very high97.7Very high0 Ų030.5 Ų30.50%015%0.149CC..  trans-61.3150.3175.7-20.833.3000111.7I9 L32 T36 T40 L41I9-P95 HydrophobicContact CG2-CB 3.97Å; I9-P95 CarbonylContact O-C 3.47Å; I9-P95 VanDerWaalsContact O-CA 3.31Å; I9-P95 WeakPolarHBondContact O-CA 3.42Å; L32-P95 HydrophobicContact CB-CB 4.11Å; L32-P95 HydrophobicContact CB-CG 4.31Å; L32-P95 HydrophobicContact CD1-CB 4.15Å; T36-P95 HydrophobicContact CG2-CG 3.64Å; T36-P95 WeakPolarHBondContact OG1-CG 3.49Å; T40-P95 WeakPolarHBondContact CA-O 3.46Å; T40-P95 HydrophobicContact CG2-CB 3.97Å; T40-P95 WeakPolarHBondContact CG2-O 3.4Å; L41-P95 PolarHBondContact N-O 3.14Å
96V98.7Very high97.7Very high0 Ų026.7 Ų26.70%013%0.131CC..EExtended strand (participates in β ladder)trans-124.1132.6174.3-174.60000109I9 F10 V11 L41 V43 I86 A89 I90I9-V96 PolarHBondContact O-N 2.68Å; F10-V96 WeakPolarHBondContact CA-O 3.4Å; F10-V96 HydrophobicContact CB-CB 4.42Å; F10-V96 HydrophobicContact CD2-CB 3.63Å; F10-V96 HydrophobicContact CD2-CG1 3.6Å; F10-V96 HydrophobicContact CE2-CB 4.28Å; F10-V96 HydrophobicContact CE2-CG1 3.71Å; F10-V96 HydrophobicContact CG-CB 4.27Å; V11-V96 PolarHBondContact N-O 2.89Å; L41-V96 HydrophobicContact CB-CG2 4.23Å; L41-V96 HydrophobicContact CD2-CG1 4.32Å; L41-V96 HydrophobicContact CD2-CG2 4.19Å; L41-V96 HydrophobicContact CG-CG1 4.44Å; L41-V96 CarbonylContact O-C 3.54Å; L41-V96 VanDerWaalsContact O-CA 3.3Å; L41-V96 WeakPolarHBondContact O-CA 3.39Å; V43-V96 HydrophobicContact CG2-CG1 4.31Å; I86-V96 HydrophobicContact CG1-CG1 4.37Å; I86-V96 HydrophobicContact CG2-CG1 4.31Å; A89-V96 HydrophobicContact CB-CG2 3.76Å; I90-V96 HydrophobicContact CD1-CG2 4.35Å; I90-V96 HydrophobicContact CG1-CG2 3.76Å
97V98.8Very high97.7Very high1 Ų126.7 Ų26.71%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-121.3123.2171.9177.50000109V11 A25 L28 A29 L32 T40 L41 S42 V43V11-V97 CarbonylContact O-C 3.51Å; V11-V97 VanDerWaalsContact O-CA 3.32Å; V11-V97 WeakPolarHBondContact O-CA 3.5Å; A25-V97 HydrophobicContact CB-CG1 3.98Å; L28-V97 HydrophobicContact CD2-CG1 4.08Å; L28-V97 HydrophobicContact CD2-CG2 4.02Å; L28-V97 HydrophobicContact CG-CG1 4.42Å; L28-V97 HydrophobicContact CG-CG2 3.88Å; A29-V97 HydrophobicContact CB-CB 4.38Å; A29-V97 HydrophobicContact CB-CG2 4.28Å; L32-V97 HydrophobicContact CD1-CG2 3.59Å; T40-V97 HydrophobicContact CG2-CB 4.35Å; T40-V97 HydrophobicContact CG2-CG2 3.77Å; L41-V97 PolarHBondContact O-N 3.13Å; S42-V97 WeakPolarHBondContact CA-O 3.24Å; V43-V97 PolarHBondContact N-O 2.74Å
98A98.8Very high97.7Very high0 Ų021.2 Ų21.20%011%0.111CC..EExtended strand (participates in β ladder)trans-108.9127175.300000112.1F10 V11 V12 L13 V43F10-A98 HydrophobicContact CE2-CB 3.75Å; F10-A98 HydrophobicContact CZ-CB 4.2Å; V11-A98 PolarHBondContact O-N 3.22Å; V12-A98 HydrophobicContact CG2-CB 4.06Å; L13-A98 PolarHBondContact N-O 3.47Å; V43-A98 HydrophobicContact CG2-CB 3.68Å; V43-A98 CarbonylContact O-C 3.58Å; V43-A98 VanDerWaalsContact O-CA 3.29Å; V43-A98 WeakPolarHBondContact O-CA 3.5Å
99D98.6Very high97.7Very high5 Ų514.6 Ų14.63%0.0278%0.082CC..EExtended strand (participates in β ladder)trans-85.9103.9162.6179.87.2000108.5K21 T22 A25 V43 K44 F45K21-D99 VanDerWaalsContact CB-OD1 3.24Å; K21-D99 WeakPolarHBondContact CB-OD1 3.31Å; T22-D99 VanDerWaalsContact CA-OD2 3.22Å; T22-D99 WeakPolarHBondContact CA-OD2 3.38Å; T22-D99 WeakPolarHBondContact CB-OD2 3.43Å; T22-D99 PolarHBondContact N-OD2 2.78Å; T22-D99 PolarHBondContact OG1-OD2 2.96Å; A25-D99 HydrophobicContact CB-CB 4.04Å; V43-D99 PolarHBondContact O-N 3.31Å; K44-D99 WeakPolarHBondContact CA-O 3.31Å; K44-D99 HydrophobicContact CB-CB 4.2Å; K44-D99 HydrophobicContact CD-CB 4.5Å; K44-D99 HydrophobicContact CG-CB 4.02Å; K44-D99 IonicContact NZ-OD2 2.91Å; F45-D99 PolarHBondContact N-O 3.05Å
100R98.5Very high97.7Very high24 Ų2415.7 Ų15.79%0.0919%0.091CC..SBendtrans66.4154.3-166.7-53.1-176.3173.8-69.64.2114L13 G15 D17 K21 F45 S104 Y108 Y170L13-R100 PolarHBondContact O-N 3.44Å; G15-R100 PolarHBondContact O-NH1 3.34Å; G15-R100 PolarHBondContact O-NH2 3.41Å; D17-R100 IonicContact OD1-CZ 3.21Å; D17-R100 IonicContact OD1-NH2 2.76Å; D17-R100 PolarHBondContact OD1-NH2 3.44Å; K21-R100 VanDerWaalsContact NZ-CZ 3.3Å; F45-R100 WeakPolarHBondContact CD2-O 3.34Å; F45-R100 WeakPolarHBondContact O-CB 3.5Å; F45-R100 WeakPolarHBondContact O-CD 3.44Å; R100-S104 WeakPolarHBondContact CB-OG 3.4Å; R100-S104 WeakPolarHBondContact CD-OG 3.37Å; R100-S104 WeakPolarHBondContact CG-OG 3.41Å; R100-S104 PolarHBondContact NH1-OG 3.23Å; R100-Y108 PolarHBondContact NH1-OH 3.37Å; R100-Y108 PolarHBondContact NH2-OH 3.03Å; R100-Y170 PolarHBondContact NH1-OH 3.42Å
101Y98.7Very high97.7Very high1 Ų114.7 Ų14.70%0.0049%0.086CC..  trans-151-134.7172.3-162.8-133.8000112.4F10 V12 E14 F45 R79 I86 Y103 V130F10-Y101 HydrophobicContact CE1-CD1 4.37Å; F10-Y101 AromaticContact CE1-CE1 3.92Å; F10-Y101 HydrophobicContact CE1-CE1 3.92Å; F10-Y101 HydrophobicContact CZ-CD1 4.21Å; F10-Y101 HydrophobicContact CZ-CE1 4.07Å; F10-Y101 HydrophobicContact CZ-CE2 4.37Å; F10-Y101 HydrophobicContact CZ-CG 4.43Å; V12-Y101 HydrophobicContact CG2-CD1 4.16Å; V12-Y101 HydrophobicContact CG2-CG 4.23Å; E14-Y101 PolarHBondContact OE1-N 3.3Å; F45-Y101 AromaticContact CD2-CD2 3.75Å; F45-Y101 HydrophobicContact CD2-CD2 3.75Å; F45-Y101 HydrophobicContact CD2-CE2 4.4Å; F45-Y101 AromaticContact CE2-CD2 3.64Å; F45-Y101 HydrophobicContact CE2-CD2 3.64Å; F45-Y101 AromaticContact CE2-CE2 3.87Å; F45-Y101 HydrophobicContact CE2-CE2 3.87Å; F45-Y101 HydrophobicContact CZ-CD2 4.49Å; F45-Y101 HydrophobicContact CZ-CE2 4.36Å; R79-Y101 HydrophobicContact CB-CE2 4.37Å; R79-Y101 HydrophobicContact CG-CD2 4.13Å; R79-Y101 HydrophobicContact CG-CE2 4.09Å; R79-Y101 PolarHBondContact NH1-O 3.14Å; R79-Y101 VanDerWaalsContact NH1-O 3.13Å; I86-Y101 HydrophobicContact CD1-CE2 4.46Å; Y101-Y103 VanDerWaalsContact C-N 3.31Å; Y101-Y103 PolarHBondContact O-N 2.61Å; Y101-V130 VanDerWaalsContact CE1-O 3.24Å; Y101-V130 WeakPolarHBondContact CE1-O 3.41Å; Y101-V130 PolarHBondContact OH-N 2.93Å; Y101-V130 PolarHBondContact OH-O 2.7Å
102I98.3Very high97.8Very high16 Ų1612.9 Ų12.98%0.0827%0.07CC..Hα-helixtrans-64-36.8-18066.5174.6000111.6S104 G105 I106 W123 E126 L129I102-S104 PolarHBondContact O-N 3.37Å; I102-G105 WeakPolarHBondContact O-CA 3.29Å; I102-G105 PolarHBondContact O-N 3.47Å; I102-I106 PolarHBondContact O-N 3.22Å; I102-I106 VanDerWaalsContact O-N 3.07Å; I102-W123 HydrophobicContact CD1-CZ3 4.15Å; I102-E126 HydrophobicContact CB-CB 4.12Å; I102-E126 HydrophobicContact CB-CG 3.98Å; I102-E126 HydrophobicContact CD1-CB 4.48Å; I102-E126 HydrophobicContact CG2-CB 3.99Å; I102-E126 HydrophobicContact CG2-CG 4.21Å; I102-E126 WeakPolarHBondContact CG2-OE2 3.46Å; I102-L129 HydrophobicContact CG2-CB 4.39Å; I102-L129 HydrophobicContact CG2-CD1 3.51Å
103Y98.5Very high97.7Very high8 Ų812.3 Ų12.33%0.0318%0.077CC..Hα-helixtrans-67.5-39.2-173.1-45.1-69.8000111.6E14 Y101 G105 I106 A107 W123 P132 V135 I173 V177 W194E14-Y103 HydrophobicContact CG-CD2 3.94Å; E14-Y103 HydrophobicContact CG-CG 4.47Å; Y101-Y103 VanDerWaalsContact C-N 3.31Å; Y101-Y103 PolarHBondContact O-N 2.61Å; Y103-G105 VanDerWaalsContact C-N 3.3Å; Y103-G105 PolarHBondContact O-N 2.99Å; Y103-I106 PolarHBondContact O-N 2.55Å; Y103-A107 WeakPolarHBondContact O-CB 3.46Å; Y103-A107 PolarHBondContact O-N 3.2Å; Y103-W123 AromaticContact CD1-CH2 3.85Å; Y103-W123 HydrophobicContact CD1-CH2 3.85Å; Y103-W123 HydrophobicContact CD1-CZ3 4.39Å; Y103-W123 AromaticContact CE1-CH2 3.81Å; Y103-W123 HydrophobicContact CE1-CH2 3.81Å; Y103-W123 HydrophobicContact CE1-CZ3 4.17Å; Y103-P132 HydrophobicContact CE2-CG 4.02Å; Y103-P132 WeakPolarHBondContact OH-CG 3.44Å; Y103-V135 HydrophobicContact CD2-CG1 4.03Å; Y103-V135 HydrophobicContact CD2-CG2 4.29Å; Y103-V135 HydrophobicContact CE2-CB 4.32Å; Y103-V135 HydrophobicContact CE2-CG1 3.96Å; Y103-V135 HydrophobicContact CE2-CG2 3.38Å; Y103-I173 HydrophobicContact CD1-CG2 3.58Å; Y103-I173 HydrophobicContact CE1-CG2 4.23Å; Y103-I173 HydrophobicContact CG-CG2 4.26Å; Y103-V177 HydrophobicContact CE1-CG2 4.35Å; Y103-W194 HydrophobicContact CD1-CH2 4.25Å; Y103-W194 AromaticContact CD1-CZ3 3.62Å; Y103-W194 HydrophobicContact CD1-CZ3 3.62Å; Y103-W194 HydrophobicContact CD2-CH2 4.19Å; Y103-W194 AromaticContact CD2-CZ3 3.76Å; Y103-W194 HydrophobicContact CD2-CZ3 3.76Å; Y103-W194 AromaticContact CE1-CZ3 3.89Å; Y103-W194 HydrophobicContact CE1-CZ3 3.89Å; Y103-W194 HydrophobicContact CE2-CZ3 4.06Å; Y103-W194 AromaticContact CG-CH2 3.83Å; Y103-W194 HydrophobicContact CG-CH2 3.83Å; Y103-W194 AromaticContact CG-CZ3 3.51Å; Y103-W194 HydrophobicContact CG-CZ3 3.51Å
104S98.4Very high97.7Very high10 Ų1017.6 Ų17.67%0.0711%0.111CC..Hα-helixtrans-54.8-44.2166-91.20000112.2E14 R100 I102 I106 Y108 Y170E14-S104 PolarHBondContact OE1-N 3.01Å; E14-S104 WeakPolarHBondContact OE2-CB 3.47Å; E14-S104 PolarHBondContact OE2-OG 3.22Å; R100-S104 WeakPolarHBondContact CB-OG 3.4Å; R100-S104 WeakPolarHBondContact CD-OG 3.37Å; R100-S104 WeakPolarHBondContact CG-OG 3.41Å; R100-S104 PolarHBondContact NH1-OG 3.23Å; I102-S104 PolarHBondContact O-N 3.37Å; S104-I106 VanDerWaalsContact C-N 3.34Å; S104-I106 PolarHBondContact O-N 2.85Å; S104-Y108 VanDerWaalsContact O-CB 3.28Å; S104-Y108 WeakPolarHBondContact O-CB 3.25Å; S104-Y108 WeakPolarHBondContact O-CD2 3.32Å; S104-Y108 PolarHBondContact O-N 2.85Å; S104-Y170 WeakPolarHBondContact CA-OH 3.08Å; S104-Y170 PolarHBondContact OG-OH 3.28Å
105G98Very high97.6Very high6 Ų620.9 Ų20.96%0.06214%0.135CC..Hα-helixtrans-57.4-45.317900000113H72 I102 Y103 T109H72-G105 PolarHBondContact ND1-O 3.35Å; I102-G105 WeakPolarHBondContact O-CA 3.29Å; I102-G105 PolarHBondContact O-N 3.47Å; Y103-G105 VanDerWaalsContact C-N 3.3Å; Y103-G105 PolarHBondContact O-N 2.99Å; G105-T109 VanDerWaalsContact O-CB 3.25Å; G105-T109 WeakPolarHBondContact O-CB 3.37Å; G105-T109 PolarHBondContact O-N 3.5Å; G105-T109 PolarHBondContact O-OG1 2.76Å
106I98.4Very high97.5Very high0 Ų023.1 Ų23.10%015%0.149CC..Hα-helixtrans-71.8-54.2179.2-59.1171000110.5I102 Y103 S104 Y108 T109 A110 W119 C122 W123 E126 I173I102-I106 PolarHBondContact O-N 3.22Å; I102-I106 VanDerWaalsContact O-N 3.07Å; Y103-I106 PolarHBondContact O-N 2.55Å; S104-I106 VanDerWaalsContact C-N 3.34Å; S104-I106 PolarHBondContact O-N 2.85Å; I106-Y108 PolarHBondContact O-N 3.25Å; I106-T109 PolarHBondContact O-N 3.07Å; I106-T109 VanDerWaalsContact O-N 3.08Å; I106-A110 PolarHBondContact O-N 2.89Å; I106-W119 HydrophobicContact CG2-CD2 4.22Å; I106-W119 HydrophobicContact CG2-CE3 3.99Å; I106-W119 HydrophobicContact CG2-CH2 3.92Å; I106-W119 HydrophobicContact CG2-CZ2 4.14Å; I106-W119 HydrophobicContact CG2-CZ3 3.84Å; I106-C122 HydrophobicContact CB-CB 4.49Å; I106-C122 HydrophobicContact CG1-CB 4.08Å; I106-C122 HydrophobicContact CG2-CB 4.21Å; I106-W123 HydrophobicContact CD1-CD2 3.32Å; I106-W123 HydrophobicContact CD1-CE3 3.53Å; I106-W123 HydrophobicContact CD1-CG 3.76Å; I106-W123 HydrophobicContact CD1-CH2 4.17Å; I106-W123 HydrophobicContact CD1-CZ2 3.97Å; I106-W123 HydrophobicContact CD1-CZ3 3.95Å; I106-E126 HydrophobicContact CD1-CG 4.31Å; I106-E126 HydrophobicContact CG1-CG 4.39Å; I106-I173 HydrophobicContact CB-CD1 4.24Å; I106-I173 HydrophobicContact CG2-CD1 4.23Å
107A98.3Very high97.4Very high0 Ų023.2 Ų23.20%015%0.149CC..Hα-helixtrans-59.3-44.1-175.400000112.7Y103 A111 V166 N169 Y170 I173Y103-A107 WeakPolarHBondContact O-CB 3.46Å; Y103-A107 PolarHBondContact O-N 3.2Å; A107-A111 WeakPolarHBondContact O-CB 3.22Å; A107-A111 PolarHBondContact O-N 2.89Å; A107-A111 VanDerWaalsContact O-N 3.12Å; A107-V166 HydrophobicContact CB-CG1 4.45Å; A107-N169 HydrophobicContact CB-CB 3.86Å; A107-N169 PolarHBondContact O-ND2 3.5Å; A107-Y170 HydrophobicContact CB-CD1 4.07Å; A107-Y170 HydrophobicContact CB-CE1 3.85Å; A107-Y170 HydrophobicContact CB-CE2 4.49Å; A107-Y170 HydrophobicContact CB-CG 4.46Å; A107-I173 HydrophobicContact CB-CD1 3.96Å
108Y98Very high97.3Very high21 Ų2127.4 Ų27.48%0.08217%0.172CC..Hα-helixtrans-73.1-27.8178.3-81-108.5000112.6D17 R100 S104 I106 K112 Y157 F162 V166D17-Y108 PolarHBondContact OD1-OH 2.72Å; D17-Y108 WeakPolarHBondContact OD2-CE1 3.28Å; D17-Y108 PolarHBondContact OD2-OH 3.29Å; R100-Y108 PolarHBondContact NH1-OH 3.37Å; R100-Y108 PolarHBondContact NH2-OH 3.03Å; S104-Y108 VanDerWaalsContact O-CB 3.28Å; S104-Y108 WeakPolarHBondContact O-CB 3.25Å; S104-Y108 WeakPolarHBondContact O-CD2 3.32Å; S104-Y108 PolarHBondContact O-N 2.85Å; I106-Y108 PolarHBondContact O-N 3.25Å; Y108-K112 WeakPolarHBondContact O-CE 3.39Å; Y108-K112 WeakPolarHBondContact O-CG 3.22Å; Y108-Y157 AromaticContact CD1-CD2 3.7Å; Y108-Y157 HydrophobicContact CD1-CD2 3.7Å; Y108-Y157 HydrophobicContact CD1-CE2 4.35Å; Y108-Y157 HydrophobicContact CD1-CG 4.2Å; Y108-Y157 HydrophobicContact CE1-CD2 4.15Å; Y108-Y157 HydrophobicContact CE1-CG 4.47Å; Y108-F162 AromaticContact CD1-CE1 3.59Å; Y108-F162 HydrophobicContact CD1-CE1 3.59Å; Y108-F162 HydrophobicContact CD1-CZ 4.17Å; Y108-F162 AromaticContact CE1-CE1 3.99Å; Y108-F162 HydrophobicContact CE1-CE1 3.99Å; Y108-F162 HydrophobicContact CG-CE1 4.37Å; Y108-V166 HydrophobicContact CD1-CG2 4.15Å; Y108-V166 HydrophobicContact CD2-CG1 3.9Å; Y108-V166 HydrophobicContact CD2-CG2 4.13Å; Y108-V166 HydrophobicContact CE1-CG2 4.23Å; Y108-V166 HydrophobicContact CE2-CG1 3.51Å; Y108-V166 HydrophobicContact CE2-CG2 4.22Å; Y108-V166 HydrophobicContact CG-CG2 4.1Å
109T98Very high97.2Very high1 Ų128.4 Ų28.41%0.00618%0.176CC..Hα-helixtrans-72.7-44.4176.6-63.40000111.4H72 G105 I106 A111 K112 P117H72-T109 HydrophobicContact CB-CG2 4.3Å; H72-T109 PolarHBondContact ND1-OG1 2.75Å; G105-T109 VanDerWaalsContact O-CB 3.25Å; G105-T109 WeakPolarHBondContact O-CB 3.37Å; G105-T109 PolarHBondContact O-N 3.5Å; G105-T109 PolarHBondContact O-OG1 2.76Å; I106-T109 PolarHBondContact O-N 3.07Å; I106-T109 VanDerWaalsContact O-N 3.08Å; T109-A111 VanDerWaalsContact C-N 3.28Å; T109-A111 PolarHBondContact O-N 3.01Å; T109-K112 WeakPolarHBondContact O-CB 3.48Å; T109-K112 PolarHBondContact O-N 3.07Å; T109-K112 PolarHBondContact OG1-NZ 3.13Å; T109-P117 HydrophobicContact CG2-CB 4.43Å; T109-P117 HydrophobicContact CG2-CG 3.89Å
110A97.8Very high97.1Very high31 Ų3133.3 Ų33.326%0.25620%0.198SC..Hα-helixtrans-69.1-23.417700000113.6I106 K112 W119 N169I106-A110 PolarHBondContact O-N 2.89Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 3.41Å; A110-W119 HydrophobicContact CB-CE3 3.57Å; A110-W119 HydrophobicContact CB-CZ3 3.48Å; A110-W119 VanDerWaalsContact CB-CZ3 3.48Å; A110-N169 WeakPolarHBondContact CB-ND2 3.4Å
111A97.4Very high97.1Very high0 Ų035.2 Ų35.20%021%0.206CC..THydrogen-bonded Turntrans-76.6-9.5177.200000114.3A107 T109 F162 R165 V166 N169A107-A111 WeakPolarHBondContact O-CB 3.22Å; A107-A111 PolarHBondContact O-N 2.89Å; A107-A111 VanDerWaalsContact O-N 3.12Å; T109-A111 VanDerWaalsContact C-N 3.28Å; T109-A111 PolarHBondContact O-N 3.01Å; A111-F162 HydrophobicContact CB-CD2 4.34Å; A111-F162 HydrophobicContact CB-CE1 4.12Å; A111-F162 HydrophobicContact CB-CE2 3.89Å; A111-F162 HydrophobicContact CB-CZ 3.77Å; A111-F162 WeakPolarHBondContact O-CE2 3.31Å; A111-R165 HydrophobicContact CB-CB 3.82Å; A111-R165 PolarHBondContact O-NE 3.11Å; A111-R165 PolarHBondContact O-NH2 3.41Å; A111-V166 HydrophobicContact CB-CG2 3.61Å; A111-N169 PolarHBondContact N-ND2 3.44Å
112K96.7Very high97.1Very high19 Ų1935.2 Ų35.28%0.08321%0.206CC..SBendtrans-74153.5178.7-67.4159.2-172.8153.10110.9K68 Y108 T109 A110 T116 Y157 F162K68-K112 HydrophobicContact CD-CB 4.47Å; K68-K112 HydrophobicContact CD-CD 4.47Å; K68-K112 HydrophobicContact CG-CD 4.29Å; Y108-K112 WeakPolarHBondContact O-CE 3.39Å; Y108-K112 WeakPolarHBondContact O-CG 3.22Å; T109-K112 WeakPolarHBondContact O-CB 3.48Å; T109-K112 PolarHBondContact O-N 3.07Å; T109-K112 PolarHBondContact OG1-NZ 3.13Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 3.41Å; K112-T116 HydrophobicContact CB-CG2 3.84Å; K112-T116 WeakPolarHBondContact O-CG2 3.45Å; K112-Y157 WeakPolarHBondContact CE-OH 3.22Å; K112-F162 HydrophobicContact CG-CE2 3.98Å; K112-F162 HydrophobicContact CG-CZ 4.32Å
113A93.5Very high97Very high68 Ų6836.9 Ų36.956%0.56221%0.211SC*.SBendtrans-58.7144.8171.700000110.7K68K68-A113 PolarHBondContact NZ-O 3.38Å
114P94Very high97Very high114 Ų11441 Ų4174%0.7423%0.231SC*.SBendtrans-67160.9178.726.7-34.1000112.8
115P95Very high97Very high114 Ų11443.4 Ų43.474%0.7424%0.242SC*.SBendcis-73.3139.2-7.231.1-34000110.6K68K68-P115 WeakPolarHBondContact CD-O 3.49Å; K68-P115 PolarHBondContact NZ-O 3.49Å
116T94.8Very high97Very high46 Ų4643.4 Ų43.428%0.28224%0.24SC..  trans-115.5160.8172.955.50000109.1K68 K112K68-T116 HydrophobicContact CD-CG2 4.29Å; K112-T116 HydrophobicContact CB-CG2 3.84Å; K112-T116 WeakPolarHBondContact O-CG2 3.45Å
117P96.4Very high96.9Very high2 Ų249.5 Ų49.51%0.01327%0.266CS..  trans-52.2144.6159.8-16.928.7000109.6H69 T109 W121H69-P117 HydrophobicContact CB-CG 4.38Å; H69-P117 WeakPolarHBondContact NE2-CA 3.44Å; T109-P117 HydrophobicContact CG2-CB 4.43Å; T109-P117 HydrophobicContact CG2-CG 3.89Å; P117-W121 HydrophobicContact CB-CD2 4.4Å; P117-W121 HydrophobicContact CB-CE3 3.48Å; P117-W121 VanDerWaalsContact CB-CE3 3.48Å; P117-W121 HydrophobicContact CB-CZ3 3.67Å; P117-W121 HydrophobicContact CG-CE3 4.39Å; P117-W121 HydrophobicContact CG-CZ3 4.08Å
118N96.4Very high96.8Very high90 Ų9051.8 Ų51.848%0.48129%0.29SS..  trans-69.6160.1178.972.161.6000110.8E120 W121 C122N118-E120 PolarHBondContact OD1-N 2.82Å; N118-W121 PolarHBondContact O-N 2.91Å; N118-W121 WeakPolarHBondContact OD1-CA 3.44Å; N118-W121 WeakPolarHBondContact OD1-CB 3.42Å; N118-W121 PolarHBondContact OD1-N 3.45Å; N118-C122 PolarHBondContact O-N 3.46Å; N118-C122 VanDerWaalsContact O-N 3.16Å; N118-C122 PolarHBondContact O-SG 2.98Å
119W97.2Very high96.8Very high20 Ų2051.3 Ų51.38%0.07629%0.289CS..Hα-helixtrans-62.7-47.1-172.2-178.6-99.9000111.9I106 A110 W121 C122 W123 N169 R172 I173 D176I106-W119 HydrophobicContact CG2-CD2 4.22Å; I106-W119 HydrophobicContact CG2-CE3 3.99Å; I106-W119 HydrophobicContact CG2-CH2 3.92Å; I106-W119 HydrophobicContact CG2-CZ2 4.14Å; I106-W119 HydrophobicContact CG2-CZ3 3.84Å; A110-W119 HydrophobicContact CB-CE3 3.57Å; A110-W119 HydrophobicContact CB-CZ3 3.48Å; A110-W119 VanDerWaalsContact CB-CZ3 3.48Å; W119-W121 PolarHBondContact O-N 2.89Å; W119-C122 WeakPolarHBondContact O-CB 3.33Å; W119-C122 PolarHBondContact O-N 3.35Å; W119-W123 AromaticContact CD1-CD1 3.85Å; W119-W123 AromaticContact CD1-NE1 3.92Å; W119-W123 AromaticContact CE2-NE1 3.64Å; W119-W123 AromaticContact NE1-CD1 3.7Å; W119-W123 AromaticContact NE1-NE1 3.28Å; W119-W123 PolarHBondContact O-N 3.08Å; W119-N169 HydrophobicContact CH2-CB 4.08Å; W119-N169 HydrophobicContact CZ3-CB 4.11Å; W119-R172 HydrophobicContact CH2-CB 4.27Å; W119-R172 HydrophobicContact CH2-CG 4.22Å; W119-R172 HydrophobicContact CZ2-CB 4.22Å; W119-R172 HydrophobicContact CZ2-CG 3.77Å; W119-I173 HydrophobicContact CH2-CD1 4.06Å; W119-I173 HydrophobicContact CH2-CG1 3.56Å; W119-I173 HydrophobicContact CZ2-CD1 4.42Å; W119-I173 HydrophobicContact CZ2-CG1 3.51Å; W119-D176 PolarHBondContact NE1-OD2 2.76Å
120E97Very high96.8Very high108 Ų10852.2 Ų52.251%0.50529%0.294SS..Hα-helixtrans-66-41.4-177-62.168.5-147.100110.7N118 C122 W123 E124 R172N118-E120 PolarHBondContact OD1-N 2.82Å; E120-C122 VanDerWaalsContact C-N 3.3Å; E120-C122 PolarHBondContact O-N 2.88Å; E120-W123 WeakPolarHBondContact O-CB 3.5Å; E120-W123 PolarHBondContact O-N 2.92Å; E120-W123 VanDerWaalsContact O-N 3.12Å; E120-E124 WeakPolarHBondContact O-CG 3.48Å; E120-E124 PolarHBondContact O-N 2.82Å; E120-R172 IonicContact OE1-NH2 3.86Å
121W98Very high96.7Very high65 Ų6558.3 Ų58.325%0.24632%0.318CS..Hα-helixtrans-61.5-38.6175.4-178.291.6000111.6H69 H72 L73 P117 N118 W119 W123 E124 M125H69-W121 HydrophobicContact CB-CH2 4.41Å; H72-W121 HydrophobicContact CB-CZ3 4.23Å; H72-W121 AromaticContact CD2-CZ3 3.5Å; H72-W121 VanDerWaalsContact CD2-CZ3 3.5Å; H72-W121 WeakPolarHBondContact CD2-CZ3 3.47Å; L73-W121 HydrophobicContact CD1-CH2 4.35Å; L73-W121 HydrophobicContact CD2-CH2 3.78Å; L73-W121 HydrophobicContact CD2-CZ2 4.1Å; L73-W121 HydrophobicContact CG-CH2 3.88Å; L73-W121 HydrophobicContact CG-CZ2 4.42Å; P117-W121 HydrophobicContact CB-CD2 4.4Å; P117-W121 HydrophobicContact CB-CE3 3.48Å; P117-W121 VanDerWaalsContact CB-CE3 3.48Å; P117-W121 HydrophobicContact CB-CZ3 3.67Å; P117-W121 HydrophobicContact CG-CE3 4.39Å; P117-W121 HydrophobicContact CG-CZ3 4.08Å; N118-W121 PolarHBondContact O-N 2.91Å; N118-W121 WeakPolarHBondContact OD1-CA 3.44Å; N118-W121 WeakPolarHBondContact OD1-CB 3.42Å; N118-W121 PolarHBondContact OD1-N 3.45Å; W119-W121 PolarHBondContact O-N 2.89Å; W121-W123 VanDerWaalsContact C-N 3.31Å; W121-W123 PolarHBondContact O-N 3.14Å; W121-E124 PolarHBondContact O-N 3.4Å; W121-M125 HydrophobicContact CD2-CG 3.94Å; W121-M125 HydrophobicContact CD2-SD 4.49Å; W121-M125 HydrophobicContact CE3-CG 3.93Å; W121-M125 HydrophobicContact CH2-CG 3.67Å; W121-M125 HydrophobicContact CH2-SD 4.2Å; W121-M125 HydrophobicContact CZ2-CG 3.64Å; W121-M125 HydrophobicContact CZ2-SD 3.61Å; W121-M125 HydrophobicContact CZ3-CG 3.81Å; W121-M125 WeakPolarHBondContact O-CG 3.28Å; W121-M125 PolarHBondContact O-N 3.39Å; W121-M125 VanDerWaalsContact O-N 3.14Å
122C98.3Very high96.7Very high1 Ų158.8 Ų58.81%0.00732%0.32CS..Hα-helixtrans-60.7-43175.1-64.60000110.9H72 I106 N118 W119 E120 M125 E126H72-C122 WeakPolarHBondContact NE2-CA 3.47Å; H72-C122 PolarHBondContact NE2-O 3.4Å; I106-C122 HydrophobicContact CB-CB 4.49Å; I106-C122 HydrophobicContact CG1-CB 4.08Å; I106-C122 HydrophobicContact CG2-CB 4.21Å; N118-C122 PolarHBondContact O-N 3.46Å; N118-C122 VanDerWaalsContact O-N 3.16Å; N118-C122 PolarHBondContact O-SG 2.98Å; W119-C122 WeakPolarHBondContact O-CB 3.33Å; W119-C122 PolarHBondContact O-N 3.35Å; E120-C122 VanDerWaalsContact C-N 3.3Å; E120-C122 PolarHBondContact O-N 2.88Å; C122-M125 PolarHBondContact O-N 2.99Å; C122-E126 WeakPolarHBondContact O-CG 3.36Å
123W97.5Very high96.6Very high51 Ų5160.7 Ų60.719%0.19333%0.331CS..Hα-helixtrans-62.1-45173.8-80.2105000112.8I102 Y103 I106 W119 E120 W121 M125 E126 K127 I173 V177I102-W123 HydrophobicContact CD1-CZ3 4.15Å; Y103-W123 AromaticContact CD1-CH2 3.85Å; Y103-W123 HydrophobicContact CD1-CH2 3.85Å; Y103-W123 HydrophobicContact CD1-CZ3 4.39Å; Y103-W123 AromaticContact CE1-CH2 3.81Å; Y103-W123 HydrophobicContact CE1-CH2 3.81Å; Y103-W123 HydrophobicContact CE1-CZ3 4.17Å; I106-W123 HydrophobicContact CD1-CD2 3.32Å; I106-W123 HydrophobicContact CD1-CE3 3.53Å; I106-W123 HydrophobicContact CD1-CG 3.76Å; I106-W123 HydrophobicContact CD1-CH2 4.17Å; I106-W123 HydrophobicContact CD1-CZ2 3.97Å; I106-W123 HydrophobicContact CD1-CZ3 3.95Å; W119-W123 AromaticContact CD1-CD1 3.85Å; W119-W123 AromaticContact CD1-NE1 3.92Å; W119-W123 AromaticContact CE2-NE1 3.64Å; W119-W123 AromaticContact NE1-CD1 3.7Å; W119-W123 AromaticContact NE1-NE1 3.28Å; W119-W123 PolarHBondContact O-N 3.08Å; E120-W123 WeakPolarHBondContact O-CB 3.5Å; E120-W123 PolarHBondContact O-N 2.92Å; E120-W123 VanDerWaalsContact O-N 3.12Å; W121-W123 VanDerWaalsContact C-N 3.31Å; W121-W123 PolarHBondContact O-N 3.14Å; W123-M125 PolarHBondContact O-N 3.35Å; W123-E126 PolarHBondContact O-N 2.85Å; W123-E126 VanDerWaalsContact O-N 3.09Å; W123-K127 PolarHBondContact O-N 2.97Å; W123-I173 HydrophobicContact CH2-CG2 4.04Å; W123-I173 HydrophobicContact CZ2-CB 4.4Å; W123-I173 HydrophobicContact CZ2-CG1 4.08Å; W123-I173 HydrophobicContact CZ2-CG2 3.89Å; W123-V177 HydrophobicContact CH2-CG2 3.91Å
124E97.8Very high96.8Very high95 Ų9557.4 Ų57.444%0.44431%0.305SS..Hα-helixtrans-57.8-36.2179.7-69.3-58.7140.200112.7E120 W121 E126 K127E120-E124 WeakPolarHBondContact O-CG 3.48Å; E120-E124 PolarHBondContact O-N 2.82Å; W121-E124 PolarHBondContact O-N 3.4Å; E124-E126 PolarHBondContact O-N 3.37Å; E124-K127 VanDerWaalsContact CD-CE 3.43Å; E124-K127 PolarHBondContact O-N 3.02Å; E124-K127 WeakPolarHBondContact OE1-CE 3.37Å; E124-K127 IonicContact OE1-NZ 2.62Å; E124-K127 PolarHBondContact OE1-NZ 2.54Å; E124-K127 VanDerWaalsContact OE2-CD 3.31Å; E124-K127 WeakPolarHBondContact OE2-CD 3.11Å; E124-K127 WeakPolarHBondContact OE2-CE 3.26Å; E124-K127 IonicContact OE2-NZ 2.73Å; E124-K127 PolarHBondContact OE2-NZ 2.89Å
125M98Very high97Very high60 Ų6052 Ų5230%0.29627%0.269SS..Hα-helixtrans-68.9-23.9-179.6-64.2-53.691.400113L73 T76 W121 C122 W123L73-M125 HydrophobicContact CD2-CB 4.29Å; L73-M125 HydrophobicContact CD2-CG 3.78Å; L73-M125 HydrophobicContact CD2-SD 3.71Å; T76-M125 HydrophobicContact CG2-CB 4.38Å; T76-M125 WeakPolarHBondContact CG2-O 3.38Å; W121-M125 HydrophobicContact CD2-CG 3.94Å; W121-M125 HydrophobicContact CD2-SD 4.49Å; W121-M125 HydrophobicContact CE3-CG 3.93Å; W121-M125 HydrophobicContact CH2-CG 3.67Å; W121-M125 HydrophobicContact CH2-SD 4.2Å; W121-M125 HydrophobicContact CZ2-CG 3.64Å; W121-M125 HydrophobicContact CZ2-SD 3.61Å; W121-M125 HydrophobicContact CZ3-CG 3.81Å; W121-M125 WeakPolarHBondContact O-CG 3.28Å; W121-M125 PolarHBondContact O-N 3.39Å; W121-M125 VanDerWaalsContact O-N 3.14Å; C122-M125 PolarHBondContact O-N 2.99Å; W123-M125 PolarHBondContact O-N 3.35Å
126E97.6Very high97.1Very high5 Ų546.6 Ų46.62%0.02323%0.234CC..Hα-helixtrans-87-13.9-178.8-52.2-76.2-165.700112.6H72 R79 I102 I106 C122 W123 E124 G128 L129H72-E126 IonicContact CE1-OE1 3.06Å; R79-E126 IonicContact CZ-OE1 3.04Å; R79-E126 IonicContact CZ-OE2 3.91Å; R79-E126 IonicContact NE-OE1 3.12Å; R79-E126 IonicContact NE-OE2 2.7Å; R79-E126 PolarHBondContact NE-OE2 3.16Å; R79-E126 IonicContact NH1-OE1 3.39Å; R79-E126 IonicContact NH2-OE1 3.81Å; R79-E126 PolarHBondContact NH2-OE1 3.5Å; R79-E126 IonicContact NH2-OE2 2.61Å; R79-E126 PolarHBondContact NH2-OE2 3.5Å; I102-E126 HydrophobicContact CB-CB 4.12Å; I102-E126 HydrophobicContact CB-CG 3.98Å; I102-E126 HydrophobicContact CD1-CB 4.48Å; I102-E126 HydrophobicContact CG2-CB 3.99Å; I102-E126 HydrophobicContact CG2-CG 4.21Å; I102-E126 WeakPolarHBondContact CG2-OE2 3.46Å; I106-E126 HydrophobicContact CD1-CG 4.31Å; I106-E126 HydrophobicContact CG1-CG 4.39Å; C122-E126 WeakPolarHBondContact O-CG 3.36Å; W123-E126 PolarHBondContact O-N 2.85Å; W123-E126 VanDerWaalsContact O-N 3.09Å; E124-E126 PolarHBondContact O-N 3.37Å; E126-G128 PolarHBondContact O-N 3.22Å; E126-L129 HydrophobicContact CB-CD1 4.47Å; E126-L129 WeakPolarHBondContact O-CB 3.3Å; E126-L129 WeakPolarHBondContact O-CG 3.35Å; E126-L129 PolarHBondContact O-N 3.43Å; E126-L129 WeakPolarHBondContact OE2-CD1 3.26Å
127K96.4Very high97.3Very high128 Ų12844.4 Ų44.456%0.55722%0.221SC*.THydrogen-bonded Turntrans-56.5133.1-174.1-75.9-172.6177.8173.20112.4W80 W123 E124W80-K127 WeakPolarHBondContact CZ2-O 3.35Å; W123-K127 PolarHBondContact O-N 2.97Å; E124-K127 VanDerWaalsContact CD-CE 3.43Å; E124-K127 PolarHBondContact O-N 3.02Å; E124-K127 WeakPolarHBondContact OE1-CE 3.37Å; E124-K127 IonicContact OE1-NZ 2.62Å; E124-K127 PolarHBondContact OE1-NZ 2.54Å; E124-K127 VanDerWaalsContact OE2-CD 3.31Å; E124-K127 WeakPolarHBondContact OE2-CD 3.11Å; E124-K127 WeakPolarHBondContact OE2-CE 3.26Å; E124-K127 IonicContact OE2-NZ 2.73Å; E124-K127 PolarHBondContact OE2-NZ 2.89Å
128G96.7Very high97.3Very high48 Ų4844.3 Ų44.350%0.49522%0.22SC..THydrogen-bonded Turntrans95.2-9.6179.800000114.7W80 Q83 E126W80-G128 WeakPolarHBondContact CH2-O 3.39Å; Q83-G128 PolarHBondContact NE2-O 2.86Å; E126-G128 PolarHBondContact O-N 3.22Å
129L98.2Very high97.2Very high11 Ų1141.5 Ų41.56%0.05821%0.206CC..SBendtrans-62.1152.9162.2-73.4175.5000110.3R79 W80 Q83 I102 E126 E131R79-L129 HydrophobicContact CB-CD1 3.81Å; R79-L129 HydrophobicContact CB-CD2 4.2Å; W80-L129 HydrophobicContact CD2-CD2 3.58Å; W80-L129 HydrophobicContact CD2-CG 4.23Å; W80-L129 HydrophobicContact CE3-CD2 3.92Å; W80-L129 HydrophobicContact CG-CD2 3.92Å; W80-L129 HydrophobicContact CH2-CD2 4.44Å; W80-L129 HydrophobicContact CZ2-CD2 4.12Å; W80-L129 HydrophobicContact CZ2-CG 3.96Å; W80-L129 HydrophobicContact CZ3-CD2 4.35Å; Q83-L129 HydrophobicContact CB-CD2 4.13Å; Q83-L129 HydrophobicContact CG-CD2 4.27Å; I102-L129 HydrophobicContact CG2-CB 4.39Å; I102-L129 HydrophobicContact CG2-CD1 3.51Å; E126-L129 HydrophobicContact CB-CD1 4.47Å; E126-L129 WeakPolarHBondContact O-CB 3.3Å; E126-L129 WeakPolarHBondContact O-CG 3.35Å; E126-L129 PolarHBondContact O-N 3.43Å; E126-L129 WeakPolarHBondContact OE2-CD1 3.26Å; L129-E131 PolarHBondContact O-N 2.96Å
130V97.2Very high97Very high20 Ų2041.3 Ų41.312%0.12121%0.208CC..PPolyproline II helixtrans-67.8130.1-179.4177.40000108.9F10 I86 R87 I90 Y101F10-V130 HydrophobicContact CD1-CG1 4.02Å; F10-V130 HydrophobicContact CE1-CG1 4.43Å; I86-V130 HydrophobicContact CG2-CB 4.31Å; I86-V130 HydrophobicContact CG2-CG2 4.4Å; R87-V130 HydrophobicContact CB-CG2 4.08Å; I90-V130 HydrophobicContact CD1-CG1 3.65Å; Y101-V130 VanDerWaalsContact CE1-O 3.24Å; Y101-V130 WeakPolarHBondContact CE1-O 3.41Å; Y101-V130 PolarHBondContact OH-N 2.93Å; Y101-V130 PolarHBondContact OH-O 2.7Å
131E96Very high96.4Very high160 Ų16038.1 Ų38.175%0.74820%0.204SC*.PPolyproline II helixtrans-77.6138.7175.7-67.7175.1-165.600110.7L129L129-E131 PolarHBondContact O-N 2.96Å
132P97Very high95.7Very high9 Ų938.3 Ų38.36%0.05821%0.21CC..PPolyproline II helixtrans-75.3153.6175.431.4-33.5000112F10 V12 Y103 V135 L193F10-P132 VanDerWaalsContact CD1-CA 3.48Å; F10-P132 HydrophobicContact CD1-CB 3.9Å; F10-P132 HydrophobicContact CE1-CB 4.13Å; F10-P132 HydrophobicContact CG-CB 4.23Å; V12-P132 HydrophobicContact CB-CB 4.37Å; V12-P132 HydrophobicContact CG2-CB 3.59Å; V12-P132 HydrophobicContact CG2-CG 3.94Å; Y103-P132 HydrophobicContact CE2-CG 4.02Å; Y103-P132 WeakPolarHBondContact OH-CG 3.44Å; P132-V135 HydrophobicContact CB-CG2 4.27Å; P132-V135 HydrophobicContact CG-CG2 3.55Å; P132-L193 HydrophobicContact CG-CD1 4.38Å; P132-L193 WeakPolarHBondContact O-CD1 3.46Å
133D95.6Very high94.8Very high59 Ų5940.2 Ų40.232%0.31622%0.219SC..SBendtrans-80.1-24.2172-58-66.5000112I9 F10 K218 I222I9-D133 WeakPolarHBondContact CA-OD2 3.47Å; I9-D133 HydrophobicContact CG1-CB 3.96Å; F10-D133 PolarHBondContact N-OD2 3.07Å; F10-D133 PolarHBondContact O-N 3.25Å; D133-K218 HydrophobicContact CB-CG 4.47Å; D133-K218 WeakPolarHBondContact O-CD 3.45Å; D133-K218 WeakPolarHBondContact O-CE 3.18Å; D133-K218 PolarHBondContact O-NZ 2.91Å; D133-I222 HydrophobicContact CB-CD1 4.01Å
134L96.9Very high93.9Very high0 Ų043.2 Ų43.20%024%0.24CC..EExtended strand (participates in β ladder)trans-151.5133.1-178.3-173.866.1000111.4F10 V11 V12 I136 V191 H195 L214 V215 K218F10-L134 PolarHBondContact O-N 3.42Å; V11-L134 WeakPolarHBondContact CA-O 3.06Å; V11-L134 HydrophobicContact CG1-CB 4.26Å; V11-L134 HydrophobicContact CG1-CD2 4.25Å; V11-L134 HydrophobicContact CG1-CG 4.4Å; V11-L134 HydrophobicContact CG2-CB 4.35Å; V12-L134 PolarHBondContact N-O 3.49Å; L134-I136 HydrophobicContact CD2-CD1 3.9Å; L134-I136 HydrophobicContact CD2-CG1 4.12Å; L134-I136 HydrophobicContact CG-CD1 4.37Å; L134-I136 HydrophobicContact CG-CG1 4.04Å; L134-V191 HydrophobicContact CD1-CG1 4.39Å; L134-H195 VanDerWaalsContact CD1-CD2 3.49Å; L134-H195 WeakPolarHBondContact CD1-CD2 3.38Å; L134-L214 HydrophobicContact CD2-CB 4.24Å; L134-V215 HydrophobicContact CD2-CG2 3.86Å; L134-K218 HydrophobicContact CB-CG 4.24Å; L134-K218 HydrophobicContact CD2-CB 4.24Å
135V98.3Very high92.9Very high0 Ų040.3 Ų40.30%023%0.226CC..EExtended strand (participates in β ladder)trans-119.4122.4173.7-172.30000109.2V12 E14 Y103 P132 L193 W194 H195V12-V135 HydrophobicContact CB-CG2 4.46Å; V12-V135 WeakPolarHBondContact O-CA 3.33Å; E14-V135 HydrophobicContact CB-CG1 4.41Å; E14-V135 HydrophobicContact CG-CG1 4.02Å; Y103-V135 HydrophobicContact CD2-CG1 4.03Å; Y103-V135 HydrophobicContact CD2-CG2 4.29Å; Y103-V135 HydrophobicContact CE2-CB 4.32Å; Y103-V135 HydrophobicContact CE2-CG1 3.96Å; Y103-V135 HydrophobicContact CE2-CG2 3.38Å; P132-V135 HydrophobicContact CB-CG2 4.27Å; P132-V135 HydrophobicContact CG-CG2 3.55Å; V135-L193 HydrophobicContact CG2-CD1 3.99Å; V135-L193 HydrophobicContact CG2-CG 4.09Å; V135-L193 PolarHBondContact N-O 2.77Å; V135-W194 HydrophobicContact CB-CD2 4.21Å; V135-W194 HydrophobicContact CB-CE3 3.84Å; V135-W194 HydrophobicContact CB-CZ3 4.25Å; V135-W194 HydrophobicContact CG1-CD2 4Å; V135-W194 HydrophobicContact CG1-CE3 3.64Å; V135-W194 HydrophobicContact CG1-CH2 3.93Å; V135-W194 HydrophobicContact CG1-CZ2 4.29Å; V135-W194 HydrophobicContact CG1-CZ3 3.6Å; V135-W194 HydrophobicContact CG2-CE3 4.26Å; V135-W194 WeakPolarHBondContact O-CA 3.4Å; V135-H195 PolarHBondContact O-N 2.98Å
136I98.6Very high92Very high0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-116.6108.8177.3-55.8172000108.4V11 V12 L13 E14 L134 L138 H195 I197 I211 L214 V215V11-I136 HydrophobicContact CG1-CD1 4.38Å; V12-I136 PolarHBondContact O-N 2.65Å; L13-I136 WeakPolarHBondContact CA-O 3.19Å; L13-I136 HydrophobicContact CD2-CB 3.74Å; L13-I136 HydrophobicContact CD2-CD1 4.18Å; L13-I136 HydrophobicContact CD2-CG1 4.4Å; L13-I136 HydrophobicContact CD2-CG2 4.35Å; E14-I136 PolarHBondContact N-O 3.08Å; L134-I136 HydrophobicContact CD2-CD1 3.9Å; L134-I136 HydrophobicContact CD2-CG1 4.12Å; L134-I136 HydrophobicContact CG-CD1 4.37Å; L134-I136 HydrophobicContact CG-CG1 4.04Å; I136-L138 HydrophobicContact CG2-CD2 4.07Å; I136-H195 CarbonylContact C-O 3.59Å; I136-H195 WeakPolarHBondContact CA-O 3.38Å; I136-I197 HydrophobicContact CG2-CB 4.49Å; I136-I197 HydrophobicContact CG2-CD1 3.56Å; I136-I197 HydrophobicContact CG2-CG1 3.91Å; I136-I211 HydrophobicContact CD1-CB 4.39Å; I136-I211 HydrophobicContact CD1-CG1 4.38Å; I136-I211 HydrophobicContact CD1-CG2 3.85Å; I136-I211 HydrophobicContact CG2-CG1 4.34Å; I136-L214 HydrophobicContact CD1-CB 4.39Å; I136-L214 HydrophobicContact CD1-CD1 4.2Å; I136-L214 HydrophobicContact CG1-CD1 4.18Å; I136-V215 HydrophobicContact CD1-CG2 4.18Å
137C98.3Very high91.2Very high0 Ų039.6 Ų39.60%023%0.228CC..EExtended strand (participates in β ladder)trans-90.7112176.8-175.60000110.6E14 W194 H195 F196 I197E14-C137 HydrophobicContact CB-CB 4.27Å; E14-C137 CarbonylContact O-C 3.41Å; E14-C137 WeakPolarHBondContact O-CA 3.41Å; C137-W194 HydrophobicContact CB-CZ2 3.82Å; C137-H195 PolarHBondContact N-O 3.18Å; C137-F196 HydrophobicContact CB-CD1 3.63Å; C137-F196 HydrophobicContact CB-CE1 3.73Å; C137-F196 HydrophobicContact CB-CG 4.5Å; C137-F196 WeakPolarHBondContact O-CA 3.39Å; C137-I197 PolarHBondContact O-N 3.22Å
138L97.3Very high90.4Very high0 Ų037.8 Ų37.80%023%0.231CC..EExtended strand (participates in β ladder)trans-79.4126.9175-56.8-172.2000110.4E14 G15 V19 K21 Q24 I136 I197 A199 V207 I211E14-L138 PolarHBondContact O-N 3.2Å; G15-L138 VanDerWaalsContact CA-O 3.28Å; G15-L138 WeakPolarHBondContact CA-O 3.22Å; V19-L138 HydrophobicContact CB-CB 4.49Å; V19-L138 HydrophobicContact CG1-CB 3.62Å; V19-L138 HydrophobicContact CG1-CD1 4.47Å; V19-L138 HydrophobicContact CG2-CB 4.03Å; K21-L138 HydrophobicContact CG-CD1 4.12Å; Q24-L138 HydrophobicContact CB-CD1 4.2Å; Q24-L138 HydrophobicContact CG-CD1 3.95Å; I136-L138 HydrophobicContact CG2-CD2 4.07Å; L138-I197 CarbonylContact C-O 3.57Å; L138-I197 WeakPolarHBondContact CA-O 3.35Å; L138-I197 HydrophobicContact CD2-CB 3.95Å; L138-I197 HydrophobicContact CD2-CG2 4.36Å; L138-A199 HydrophobicContact CB-CB 4.09Å; L138-A199 HydrophobicContact CD1-CB 4.4Å; L138-A199 HydrophobicContact CD2-CB 4.41Å; L138-V207 HydrophobicContact CD2-CG1 4.32Å; L138-I211 HydrophobicContact CD2-CD1 4.24Å
139T94.4Very high89.5Confident31 Ų3139.6 Ų39.619%0.1922%0.223CC..EExtended strand (participates in β ladder)trans-118.4149.7-179.961.80000110.9L167 F196 I197 Q198 A199T139-L167 HydrophobicContact CG2-CD2 4.25Å; T139-F196 HydrophobicContact CG2-CD1 3.72Å; T139-F196 HydrophobicContact CG2-CE1 4.43Å; T139-I197 PolarHBondContact N-O 2.63Å; T139-Q198 CarbonylContact O-C 3.57Å; T139-Q198 VanDerWaalsContact O-CA 3.28Å; T139-Q198 WeakPolarHBondContact O-CA 3.13Å; T139-Q198 WeakPolarHBondContact OG1-CA 3.4Å; T139-A199 PolarHBondContact O-N 3.49Å
140P91.1Very high88.5Confident16 Ų1646.4 Ų46.410%0.10426%0.259CS..  trans-81.315916738.8-38.2000110.8N142 L143 L146 L167 T200P140-N142 VanDerWaalsContact CB-O 3.26Å; P140-N142 WeakPolarHBondContact CB-O 3.48Å; P140-L143 HydrophobicContact CG-CD2 4.44Å; P140-L146 HydrophobicContact CB-CD2 3.85Å; P140-L146 HydrophobicContact CB-CG 4.04Å; P140-L146 HydrophobicContact CG-CD1 3.99Å; P140-L146 HydrophobicContact CG-CD2 4.16Å; P140-L146 HydrophobicContact CG-CG 4.02Å; P140-L167 HydrophobicContact CG-CD1 4.08Å; P140-T200 WeakPolarHBondContact CA-OG1 3.26Å; P140-T200 HydrophobicContact CB-CG2 3.78Å
141G85.4Confident87.6Confident41 Ų4146.6 Ų46.642%0.42327%0.265SS..SBendtrans-71.6-37.8170.100000111.3T200G141-T200 PolarHBondContact N-OG1 3.21Å
142N83.1Confident86.9Confident69 Ų6940.8 Ų40.837%0.36924%0.237SC..SBendtrans-141.1157.9166.262.754.8000111.3P140 D144 E145P140-N142 VanDerWaalsContact CB-O 3.26Å; P140-N142 WeakPolarHBondContact CB-O 3.48Å; N142-D144 VanDerWaalsContact C-N 3.33Å; N142-D144 PolarHBondContact O-N 3.5Å; N142-D144 PolarHBondContact OD1-N 2.79Å; N142-E145 VanDerWaalsContact CG-CD 3.48Å; N142-E145 VanDerWaalsContact CG-OE1 3.3Å; N142-E145 VanDerWaalsContact ND2-CD 3.34Å; N142-E145 PolarHBondContact ND2-OE1 3.27Å; N142-E145 WeakPolarHBondContact OD1-CB 3.33Å; N142-E145 VanDerWaalsContact OD1-CD 3.23Å; N142-E145 WeakPolarHBondContact OD1-CG 3.41Å; N142-E145 PolarHBondContact OD1-N 3.23Å; N142-E145 PolarHBondContact OD1-OE1 2.82Å
143L80.5Confident86.3Confident41 Ų4142.8 Ų42.822%0.21526%0.259CS..THydrogen-bonded Turntrans-69.3-30-179.2-73.6170.3000113.1P140 E145 L146 Q163 K164 L167P140-L143 HydrophobicContact CG-CD2 4.44Å; L143-E145 PolarHBondContact O-N 3.44Å; L143-L146 HydrophobicContact CD2-CD1 4.05Å; L143-L146 WeakPolarHBondContact O-CB 3.22Å; L143-L146 PolarHBondContact O-N 3.12Å; L143-Q163 HydrophobicContact CD2-CB 4.44Å; L143-K164 HydrophobicContact CD1-CB 3.6Å; L143-K164 HydrophobicContact CD1-CD 4.17Å; L143-K164 HydrophobicContact CD1-CG 3.88Å; L143-L167 HydrophobicContact CD2-CD1 3.73Å
144D78.4Confident85.9Confident115 Ų11548 Ų4862%0.61528%0.279SS*.Hα-helixtrans-61.8-28.6-178.4-60.7-20.6000112.2N142 L146 S147 S148N142-D144 VanDerWaalsContact C-N 3.33Å; N142-D144 PolarHBondContact O-N 3.5Å; N142-D144 PolarHBondContact OD1-N 2.79Å; D144-L146 VanDerWaalsContact C-N 3.28Å; D144-L146 PolarHBondContact O-N 3.01Å; D144-S147 PolarHBondContact O-N 3.17Å; D144-S147 PolarHBondContact O-OG 3.31Å; D144-S148 PolarHBondContact O-N 3.47Å
145E76.1Confident85.5Confident33 Ų3350.4 Ų50.415%0.15429%0.29CS..Hα-helixtrans-65.2-29.9173.8-80.2155.3-161.200113.1N142 L143 S148 T200N142-E145 VanDerWaalsContact CG-CD 3.48Å; N142-E145 VanDerWaalsContact CG-OE1 3.3Å; N142-E145 VanDerWaalsContact ND2-CD 3.34Å; N142-E145 PolarHBondContact ND2-OE1 3.27Å; N142-E145 WeakPolarHBondContact OD1-CB 3.33Å; N142-E145 VanDerWaalsContact OD1-CD 3.23Å; N142-E145 WeakPolarHBondContact OD1-CG 3.41Å; N142-E145 PolarHBondContact OD1-N 3.23Å; N142-E145 PolarHBondContact OD1-OE1 2.82Å; L143-E145 PolarHBondContact O-N 3.44Å; E145-S148 PolarHBondContact O-OG 3.02Å; E145-T200 HydrophobicContact CB-CG2 4.19Å; E145-T200 WeakPolarHBondContact OE2-CB 3.03Å; E145-T200 WeakPolarHBondContact OE2-CG2 3.38Å; E145-T200 PolarHBondContact OE2-OG1 3.39Å
146L79.2Confident85.2Confident0 Ų053.9 Ų53.90%030%0.303CS..Hα-helixtrans-68.5-44.2177.2-60.5-175.9000110.7A16 D17 V19 P140 L143 D144 S148 R149 Y152 Q163A16-L146 HydrophobicContact CB-CD1 3.7Å; D17-L146 WeakPolarHBondContact O-CD2 3.31Å; V19-L146 HydrophobicContact CB-CD2 4.19Å; V19-L146 HydrophobicContact CG2-CD2 4.44Å; P140-L146 HydrophobicContact CB-CD2 3.85Å; P140-L146 HydrophobicContact CB-CG 4.04Å; P140-L146 HydrophobicContact CG-CD1 3.99Å; P140-L146 HydrophobicContact CG-CD2 4.16Å; P140-L146 HydrophobicContact CG-CG 4.02Å; L143-L146 HydrophobicContact CD2-CD1 4.05Å; L143-L146 WeakPolarHBondContact O-CB 3.22Å; L143-L146 PolarHBondContact O-N 3.12Å; D144-L146 VanDerWaalsContact C-N 3.28Å; D144-L146 PolarHBondContact O-N 3.01Å; L146-S148 VanDerWaalsContact C-N 3.26Å; L146-S148 PolarHBondContact O-N 3.05Å; L146-R149 PolarHBondContact O-N 3.21Å; L146-Y152 HydrophobicContact CB-CE2 4Å; L146-Y152 WeakPolarHBondContact O-CD2 3.33Å; L146-Q163 HydrophobicContact CD1-CB 4.46Å
147S79.9Confident84.9Confident51 Ų5154.6 Ų54.636%0.35731%0.306SS..Hα-helixtrans-70.3-23.3-177.963.60000113.2D144 R149 Y152D144-S147 PolarHBondContact O-N 3.17Å; D144-S147 PolarHBondContact O-OG 3.31Å; S147-R149 VanDerWaalsContact C-N 3.28Å; S147-R149 PolarHBondContact O-N 3.42Å; S147-Y152 VanDerWaalsContact CA-CD1 3.48Å
148S79.6Confident84.4Confident89 Ų8955.2 Ų55.262%0.62231%0.309SS*.THydrogen-bonded Turntrans-70.6-16.6173.278.50000114.7D144 E145 L146D144-S148 PolarHBondContact O-N 3.47Å; E145-S148 PolarHBondContact O-OG 3.02Å; L146-S148 VanDerWaalsContact C-N 3.26Å; L146-S148 PolarHBondContact O-N 3.05Å
149R79.2Confident84Confident87 Ų8758.3 Ų58.333%0.32833%0.326SS..SBendtrans-78.7140.3-175.2-71.3-176.1176.8-156.2-0.1111.9R18 V19 L146 S147 G151 Y152R18-R149 HydrophobicContact CB-CB 4.15Å; R18-R149 HydrophobicContact CG-CB 4.47Å; R18-R149 WeakPolarHBondContact O-CD 3.09Å; R18-R149 VanDerWaalsContact O-CZ 3.31Å; R18-R149 PolarHBondContact O-NE 3.36Å; R18-R149 PolarHBondContact O-NH1 3.24Å; V19-R149 PolarHBondContact O-NH1 3.17Å; L146-R149 PolarHBondContact O-N 3.21Å; S147-R149 VanDerWaalsContact C-N 3.28Å; S147-R149 PolarHBondContact O-N 3.42Å; R149-G151 PolarHBondContact O-N 2.84Å; R149-Y152 WeakPolarHBondContact O-CB 3.14Å; R149-Y152 PolarHBondContact O-N 3.32Å; R149-Y152 VanDerWaalsContact O-N 3.11Å
150N77.7Confident83.7Confident154 Ų15459.6 Ų59.682%0.82433%0.331SS*.THydrogen-bonded Turntrans-52124.7-178.1-80.1-19000112.9R18R18-N150 PolarHBondContact NH1-O 3.03Å; R18-N150 VanDerWaalsContact NH1-O 3.16Å
151G77.4Confident83.7Confident24 Ų2463.4 Ų63.425%0.24735%0.351CS..THydrogen-bonded Turntrans82.66.8175.800000115.3R18 R149 K154R18-G151 PolarHBondContact NH2-O 3.27Å; R18-G151 VanDerWaalsContact NH2-O 3.15Å; R149-G151 PolarHBondContact O-N 2.84Å; G151-K154 WeakPolarHBondContact O-CB 3.5Å; G151-K154 VanDerWaalsContact O-CG 3.32Å; G151-K154 WeakPolarHBondContact O-CG 3.48Å; G151-K154 PolarHBondContact O-N 3.19Å
152Y81.4Confident84.1Confident37 Ų3762 Ų6215%0.14533%0.333CS..THydrogen-bonded Turntrans-61139.1167.9-169.4-93.7000110.6R18 L146 S147 R149 E158 N159 D160R18-Y152 HydrophobicContact CB-CD2 4.34Å; R18-Y152 HydrophobicContact CG-CD2 3.7Å; L146-Y152 HydrophobicContact CB-CE2 4Å; L146-Y152 WeakPolarHBondContact O-CD2 3.33Å; S147-Y152 VanDerWaalsContact CA-CD1 3.48Å; R149-Y152 WeakPolarHBondContact O-CB 3.14Å; R149-Y152 PolarHBondContact O-N 3.32Å; R149-Y152 VanDerWaalsContact O-N 3.11Å; Y152-E158 HydrophobicContact CD1-CB 4.37Å; Y152-E158 HydrophobicContact CD2-CB 3.93Å; Y152-E158 HydrophobicContact CD2-CG 4.33Å; Y152-E158 HydrophobicContact CE1-CB 4.45Å; Y152-E158 WeakPolarHBondContact CE1-O 3.24Å; Y152-E158 HydrophobicContact CE2-CB 3.98Å; Y152-E158 HydrophobicContact CG-CB 4.16Å; Y152-N159 VanDerWaalsContact OH-C 3.29Å; Y152-D160 VanDerWaalsContact CE1-OD1 3.29Å; Y152-D160 WeakPolarHBondContact CE1-OD1 3.49Å; Y152-D160 PolarHBondContact OH-N 2.9Å; Y152-D160 PolarHBondContact OH-OD1 2.79Å
153G84.4Confident84.6Confident52 Ų5258.7 Ų58.754%0.53632%0.316SS..THydrogen-bonded Turntrans90.35.6-176.700000114.2E158G153-E158 WeakPolarHBondContact CA-O 3.34Å; G153-E158 VanDerWaalsContact N-CB 3.27Å; G153-E158 PolarHBondContact N-OE2 3.24Å
154K86.6Confident85.3Confident167 Ų16761.9 Ų61.973%0.72633%0.327SS*.SBendtrans-84.2-29176.5-73.5-175.3177.4-173.30112.6G151 E158G151-K154 WeakPolarHBondContact O-CB 3.5Å; G151-K154 VanDerWaalsContact O-CG 3.32Å; G151-K154 WeakPolarHBondContact O-CG 3.48Å; G151-K154 PolarHBondContact O-N 3.19Å; K154-E158 PolarHBondContact N-OE2 3.35Å
155E89.7Confident86.1Confident51 Ų5160.1 Ų60.124%0.23831%0.312CS..SBendtrans-103.8154.5176.3-62.9-166.6175.900111.9R48 L60 Y157 E158R48-E155 IonicContact CZ-OE1 3.71Å; R48-E155 VanDerWaalsContact CZ-OE1 3.25Å; R48-E155 IonicContact CZ-OE2 2.85Å; R48-E155 IonicContact NH1-OE1 2.81Å; R48-E155 PolarHBondContact NH1-OE1 2.97Å; R48-E155 IonicContact NH2-OE1 3.69Å; R48-E155 PolarHBondContact NH2-OE1 2.93Å; R48-E155 IonicContact NH2-OE2 3.88Å; R48-E155 PolarHBondContact NH2-OE2 3.21Å; L60-E155 WeakPolarHBondContact O-CA 3.36Å; E155-Y157 PolarHBondContact O-N 3.14Å; E155-E158 HydrophobicContact CB-CG 4.14Å; E155-E158 PolarHBondContact N-OE2 2.87Å; E155-E158 VanDerWaalsContact N-OE2 3.12Å; E155-E158 PolarHBondContact O-N 3.18Å; E155-E158 VanDerWaalsContact O-N 3.07Å
156R91.7Very high87.1Confident74 Ų7458.6 Ų58.628%0.27931%0.305SS..THydrogen-bonded Turntrans-49.2-30.3-172.2-172.1179.6-66-105.96.7115.1Y59 L60 G64 D65Y59-R156 PolarHBondContact O-NE 2.72Å; Y59-R156 PolarHBondContact O-NH2 3.29Å; Y59-R156 WeakPolarHBondContact OH-CD 3.22Å; L60-R156 PolarHBondContact O-N 3.01Å; G64-R156 PolarHBondContact O-NH2 3.06Å; D65-R156 IonicContact OD1-CZ 3.72Å; D65-R156 IonicContact OD1-NH1 3.72Å; D65-R156 PolarHBondContact OD1-NH1 3.46Å; D65-R156 IonicContact OD1-NH2 2.68Å
157Y91.2Very high87.9Confident15 Ų1559.9 Ų59.96%0.05931%0.312CS..THydrogen-bonded Turntrans-107.3-0.1-172.3-57.9-36000114.3Y59 L60 Y108 K112 E155 N159 F162 Q163Y59-Y157 HydrophobicContact CE1-CE2 4.38Å; Y59-Y157 AromaticContact CE1-CZ 3.9Å; Y59-Y157 WeakPolarHBondContact CE1-OH 3.45Å; Y59-Y157 PolarHBondContact OH-OH 3.1Å; L60-Y157 HydrophobicContact CD2-CD2 3.79Å; L60-Y157 HydrophobicContact CD2-CE2 3.65Å; Y108-Y157 AromaticContact CD1-CD2 3.7Å; Y108-Y157 HydrophobicContact CD1-CD2 3.7Å; Y108-Y157 HydrophobicContact CD1-CE2 4.35Å; Y108-Y157 HydrophobicContact CD1-CG 4.2Å; Y108-Y157 HydrophobicContact CE1-CD2 4.15Å; Y108-Y157 HydrophobicContact CE1-CG 4.47Å; K112-Y157 WeakPolarHBondContact CE-OH 3.22Å; E155-Y157 PolarHBondContact O-N 3.14Å; Y157-N159 PolarHBondContact O-N 3.42Å; Y157-F162 HydrophobicContact CD1-CD1 4.32Å; Y157-F162 HydrophobicContact CD1-CD2 4.38Å; Y157-F162 AromaticContact CD1-CE1 3.83Å; Y157-F162 HydrophobicContact CD1-CE1 3.83Å; Y157-F162 AromaticContact CD1-CE2 3.89Å; Y157-F162 HydrophobicContact CD1-CE2 3.89Å; Y157-F162 AromaticContact CD1-CZ 3.59Å; Y157-F162 HydrophobicContact CD1-CZ 3.59Å; Y157-F162 HydrophobicContact CD2-CE1 4.32Å; Y157-F162 HydrophobicContact CD2-CZ 4.4Å; Y157-F162 HydrophobicContact CE1-CE2 4.21Å; Y157-F162 HydrophobicContact CE1-CZ 4.01Å; Y157-F162 HydrophobicContact CG-CD1 4.22Å; Y157-F162 AromaticContact CG-CE1 3.65Å; Y157-F162 HydrophobicContact CG-CE1 3.65Å; Y157-F162 AromaticContact CG-CZ 3.83Å; Y157-F162 HydrophobicContact CG-CZ 3.83Å; Y157-Q163 PolarHBondContact O-NE2 2.57Å
158E87.4Confident88.7Confident12 Ų1262.5 Ų62.56%0.05632%0.319CS..  trans-80.461.9178.6-63.8-178.2143.600111.2D17 R18 Y152 G153 K154 E155D17-E158 HydrophobicContact CB-CG 4.15Å; R18-E158 IonicContact CZ-OE1 3.27Å; R18-E158 VanDerWaalsContact CZ-OE1 3.27Å; R18-E158 IonicContact NE-OE1 2.77Å; R18-E158 PolarHBondContact NE-OE1 2.87Å; R18-E158 IonicContact NH2-OE1 2.87Å; R18-E158 PolarHBondContact NH2-OE1 3Å; R18-E158 IonicContact NH2-OE2 3.77Å; Y152-E158 HydrophobicContact CD1-CB 4.37Å; Y152-E158 HydrophobicContact CD2-CB 3.93Å; Y152-E158 HydrophobicContact CD2-CG 4.33Å; Y152-E158 HydrophobicContact CE1-CB 4.45Å; Y152-E158 WeakPolarHBondContact CE1-O 3.24Å; Y152-E158 HydrophobicContact CE2-CB 3.98Å; Y152-E158 HydrophobicContact CG-CB 4.16Å; G153-E158 WeakPolarHBondContact CA-O 3.34Å; G153-E158 VanDerWaalsContact N-CB 3.27Å; G153-E158 PolarHBondContact N-OE2 3.24Å; K154-E158 PolarHBondContact N-OE2 3.35Å; E155-E158 HydrophobicContact CB-CG 4.14Å; E155-E158 PolarHBondContact N-OE2 2.87Å; E155-E158 VanDerWaalsContact N-OE2 3.12Å; E155-E158 PolarHBondContact O-N 3.18Å; E155-E158 VanDerWaalsContact O-N 3.07Å
159N89.4Confident89.6Confident66 Ų6659.3 Ų59.335%0.35330%0.295SS..SBendtrans-135.3148.8170.669.786.2000111Y152 Y157 D161 F162 Q163Y152-N159 VanDerWaalsContact OH-C 3.29Å; Y157-N159 PolarHBondContact O-N 3.42Å; N159-D161 PolarHBondContact O-N 3.18Å; N159-F162 WeakPolarHBondContact ND2-CB 3.39Å; N159-F162 PolarHBondContact O-N 3.21Å; N159-F162 WeakPolarHBondContact OD1-CB 3.42Å; N159-F162 PolarHBondContact OD1-N 3.07Å; N159-Q163 WeakPolarHBondContact O-CG 3.48Å; N159-Q163 PolarHBondContact O-N 2.95Å
160D87.6Confident90.5Very high58 Ų5855.2 Ų55.231%0.3128%0.279SS..Hα-helixtrans-68.5-40.9-161.4-56.7-15.8000113.2Y152 F162 Q163 K164Y152-D160 VanDerWaalsContact CE1-OD1 3.29Å; Y152-D160 WeakPolarHBondContact CE1-OD1 3.49Å; Y152-D160 PolarHBondContact OH-N 2.9Å; Y152-D160 PolarHBondContact OH-OD1 2.79Å; D160-F162 VanDerWaalsContact C-N 3.34Å; D160-F162 PolarHBondContact O-N 3.42Å; D160-Q163 PolarHBondContact O-N 2.84Å; D160-K164 WeakPolarHBondContact O-CB 3.28Å; D160-K164 PolarHBondContact O-N 3.39Å
161D91.5Very high91.5Very high96 Ų9650.9 Ų50.951%0.51326%0.258SS..Hα-helixtrans-63.7-40177173.868.2000111.7N159 R165N159-D161 PolarHBondContact O-N 3.18Å; D161-R165 VanDerWaalsContact CG-NH1 3.3Å; D161-R165 PolarHBondContact O-N 3.09Å; D161-R165 IonicContact OD1-NH1 3.25Å; D161-R165 PolarHBondContact OD1-NH1 3.35Å; D161-R165 IonicContact OD2-CZ 3.31Å; D161-R165 VanDerWaalsContact OD2-CZ 3.23Å; D161-R165 IonicContact OD2-NH1 3.99Å; D161-R165 PolarHBondContact OD2-NH1 3.43Å; D161-R165 IonicContact OD2-NH2 2.91Å; D161-R165 PolarHBondContact OD2-NH2 3.12Å
162F94.4Very high92.4Very high11 Ų1154.7 Ų54.75%0.04827%0.265CS..Hα-helixtrans-67.4-46174.2-171-84.5000111.9Y108 A111 K112 Y157 N159 D160 K164 R165 V166Y108-F162 AromaticContact CD1-CE1 3.59Å; Y108-F162 HydrophobicContact CD1-CE1 3.59Å; Y108-F162 HydrophobicContact CD1-CZ 4.17Å; Y108-F162 AromaticContact CE1-CE1 3.99Å; Y108-F162 HydrophobicContact CE1-CE1 3.99Å; Y108-F162 HydrophobicContact CG-CE1 4.37Å; A111-F162 HydrophobicContact CB-CD2 4.34Å; A111-F162 HydrophobicContact CB-CE1 4.12Å; A111-F162 HydrophobicContact CB-CE2 3.89Å; A111-F162 HydrophobicContact CB-CZ 3.77Å; A111-F162 WeakPolarHBondContact O-CE2 3.31Å; K112-F162 HydrophobicContact CG-CE2 3.98Å; K112-F162 HydrophobicContact CG-CZ 4.32Å; Y157-F162 HydrophobicContact CD1-CD1 4.32Å; Y157-F162 HydrophobicContact CD1-CD2 4.38Å; Y157-F162 AromaticContact CD1-CE1 3.83Å; Y157-F162 HydrophobicContact CD1-CE1 3.83Å; Y157-F162 AromaticContact CD1-CE2 3.89Å; Y157-F162 HydrophobicContact CD1-CE2 3.89Å; Y157-F162 AromaticContact CD1-CZ 3.59Å; Y157-F162 HydrophobicContact CD1-CZ 3.59Å; Y157-F162 HydrophobicContact CD2-CE1 4.32Å; Y157-F162 HydrophobicContact CD2-CZ 4.4Å; Y157-F162 HydrophobicContact CE1-CE2 4.21Å; Y157-F162 HydrophobicContact CE1-CZ 4.01Å; Y157-F162 HydrophobicContact CG-CD1 4.22Å; Y157-F162 AromaticContact CG-CE1 3.65Å; Y157-F162 HydrophobicContact CG-CE1 3.65Å; Y157-F162 AromaticContact CG-CZ 3.83Å; Y157-F162 HydrophobicContact CG-CZ 3.83Å; N159-F162 WeakPolarHBondContact ND2-CB 3.39Å; N159-F162 PolarHBondContact O-N 3.21Å; N159-F162 WeakPolarHBondContact OD1-CB 3.42Å; N159-F162 PolarHBondContact OD1-N 3.07Å; D160-F162 VanDerWaalsContact C-N 3.34Å; D160-F162 PolarHBondContact O-N 3.42Å; F162-K164 VanDerWaalsContact C-N 3.28Å; F162-K164 PolarHBondContact O-N 2.81Å; F162-R165 PolarHBondContact O-N 3.25Å; F162-V166 HydrophobicContact CD1-CG2 3.8Å; F162-V166 HydrophobicContact CE1-CG2 3.5Å; F162-V166 VanDerWaalsContact CE1-CG2 3.5Å; F162-V166 HydrophobicContact CZ-CG2 4.32Å; F162-V166 WeakPolarHBondContact O-CG2 3.2Å; F162-V166 PolarHBondContact O-N 3.3Å
163Q94.6Very high93.2Very high0 Ų052.9 Ų52.90%026%0.258CS..Hα-helixtrans-64.4-33.7179.1-68.6-60.2-50.300112.4D17 L143 L146 Y157 N159 D160 V166 L167D17-Q163 PolarHBondContact OD2-NE2 3.34Å; L143-Q163 HydrophobicContact CD2-CB 4.44Å; L146-Q163 HydrophobicContact CD1-CB 4.46Å; Y157-Q163 PolarHBondContact O-NE2 2.57Å; N159-Q163 WeakPolarHBondContact O-CG 3.48Å; N159-Q163 PolarHBondContact O-N 2.95Å; D160-Q163 PolarHBondContact O-N 2.84Å; Q163-V166 WeakPolarHBondContact O-CB 3.36Å; Q163-V166 PolarHBondContact O-N 2.93Å; Q163-L167 WeakPolarHBondContact O-CG 3.42Å; Q163-L167 PolarHBondContact O-N 3.44Å
164K94.1Very high93.8Very high107 Ų10751.2 Ų51.247%0.46524%0.238SC..Hα-helixtrans-57.7-51.8171.4-172.3177.4174-175.80111.5L143 D160 F162 V166 L167 E168L143-K164 HydrophobicContact CD1-CB 3.6Å; L143-K164 HydrophobicContact CD1-CD 4.17Å; L143-K164 HydrophobicContact CD1-CG 3.88Å; D160-K164 WeakPolarHBondContact O-CB 3.28Å; D160-K164 PolarHBondContact O-N 3.39Å; F162-K164 VanDerWaalsContact C-N 3.28Å; F162-K164 PolarHBondContact O-N 2.81Å; K164-V166 VanDerWaalsContact C-N 3.28Å; K164-V166 PolarHBondContact O-N 2.88Å; K164-L167 PolarHBondContact O-N 2.89Å; K164-L167 VanDerWaalsContact O-N 3.17Å; K164-E168 VanDerWaalsContact CE-OE1 3.28Å; K164-E168 WeakPolarHBondContact CE-OE1 3.28Å; K164-E168 WeakPolarHBondContact O-CG 3.25Å; K164-E168 PolarHBondContact O-N 3.35Å
165R96.1Very high94.2Very high79 Ų7949.1 Ų49.130%0.29823%0.229SC..Hα-helixtrans-60.4-37.8176.7-73.3-166.6-68.3-86.5-9.6112.4A111 D161 F162 E168 N169A111-R165 HydrophobicContact CB-CB 3.82Å; A111-R165 PolarHBondContact O-NE 3.11Å; A111-R165 PolarHBondContact O-NH2 3.41Å; D161-R165 VanDerWaalsContact CG-NH1 3.3Å; D161-R165 PolarHBondContact O-N 3.09Å; D161-R165 IonicContact OD1-NH1 3.25Å; D161-R165 PolarHBondContact OD1-NH1 3.35Å; D161-R165 IonicContact OD2-CZ 3.31Å; D161-R165 VanDerWaalsContact OD2-CZ 3.23Å; D161-R165 IonicContact OD2-NH1 3.99Å; D161-R165 PolarHBondContact OD2-NH1 3.43Å; D161-R165 IonicContact OD2-NH2 2.91Å; D161-R165 PolarHBondContact OD2-NH2 3.12Å; F162-R165 PolarHBondContact O-N 3.25Å; R165-E168 PolarHBondContact O-N 3.41Å; R165-N169 WeakPolarHBondContact O-CB 3.44Å; R165-N169 PolarHBondContact O-N 2.84Å; R165-N169 PolarHBondContact O-ND2 2.78Å
166V97.2Very high94.4Very high0 Ų048.6 Ų48.60%023%0.228CC..Hα-helixtrans-61-45.7175.2168.20000111.2A107 Y108 A111 F162 Q163 K164 N169 Y170A107-V166 HydrophobicContact CB-CG1 4.45Å; Y108-V166 HydrophobicContact CD1-CG2 4.15Å; Y108-V166 HydrophobicContact CD2-CG1 3.9Å; Y108-V166 HydrophobicContact CD2-CG2 4.13Å; Y108-V166 HydrophobicContact CE1-CG2 4.23Å; Y108-V166 HydrophobicContact CE2-CG1 3.51Å; Y108-V166 HydrophobicContact CE2-CG2 4.22Å; Y108-V166 HydrophobicContact CG-CG2 4.1Å; A111-V166 HydrophobicContact CB-CG2 3.61Å; F162-V166 HydrophobicContact CD1-CG2 3.8Å; F162-V166 HydrophobicContact CE1-CG2 3.5Å; F162-V166 VanDerWaalsContact CE1-CG2 3.5Å; F162-V166 HydrophobicContact CZ-CG2 4.32Å; F162-V166 WeakPolarHBondContact O-CG2 3.2Å; F162-V166 PolarHBondContact O-N 3.3Å; Q163-V166 WeakPolarHBondContact O-CB 3.36Å; Q163-V166 PolarHBondContact O-N 2.93Å; K164-V166 VanDerWaalsContact C-N 3.28Å; K164-V166 PolarHBondContact O-N 2.88Å; V166-N169 WeakPolarHBondContact O-CB 3.49Å; V166-N169 PolarHBondContact O-N 3.46Å; V166-Y170 HydrophobicContact CG1-CD2 3.93Å; V166-Y170 HydrophobicContact CG1-CE2 3.42Å; V166-Y170 VanDerWaalsContact CG1-CE2 3.42Å; V166-Y170 VanDerWaalsContact O-CD2 3.31Å; V166-Y170 WeakPolarHBondContact O-CD2 3.45Å; V166-Y170 PolarHBondContact O-N 3.5Å
167L96Very high94.4Very high28 Ų2845.7 Ų45.715%0.14722%0.218CC..Hα-helixtrans-64-42177-70.8173.3000112.2A16 T139 P140 L143 Q163 K164 N169 Y170 V171A16-L167 HydrophobicContact CB-CD1 4.45Å; A16-L167 HydrophobicContact CB-CD2 3.95Å; A16-L167 HydrophobicContact CB-CG 4.19Å; T139-L167 HydrophobicContact CG2-CD2 4.25Å; P140-L167 HydrophobicContact CG-CD1 4.08Å; L143-L167 HydrophobicContact CD2-CD1 3.73Å; Q163-L167 WeakPolarHBondContact O-CG 3.42Å; Q163-L167 PolarHBondContact O-N 3.44Å; K164-L167 PolarHBondContact O-N 2.89Å; K164-L167 VanDerWaalsContact O-N 3.17Å; L167-N169 VanDerWaalsContact C-N 3.28Å; L167-N169 PolarHBondContact O-N 3.3Å; L167-Y170 HydrophobicContact CD2-CD2 4.45Å; L167-Y170 PolarHBondContact O-N 3.08Å; L167-V171 PolarHBondContact O-N 3.23Å; L167-V171 VanDerWaalsContact O-N 3.12Å
168E96.7Very high94.3Very high106 Ų10650 Ų5050%0.49524%0.239SC..Hα-helixtrans-59-41.4173.6-70.4169178.900111.3K164 R165 V171 R172K164-E168 VanDerWaalsContact CE-OE1 3.28Å; K164-E168 WeakPolarHBondContact CE-OE1 3.28Å; K164-E168 WeakPolarHBondContact O-CG 3.25Å; K164-E168 PolarHBondContact O-N 3.35Å; R165-E168 PolarHBondContact O-N 3.41Å; E168-V171 PolarHBondContact O-N 2.85Å; E168-R172 PolarHBondContact O-N 2.61Å
169N97.9Very high94.3Very high22 Ų2254.2 Ų54.212%0.11826%0.261CS..Hα-helixtrans-66.4-35.7175.7-70.8-27000112.7A107 A110 A111 W119 R165 V166 L167 V171 R172 I173A107-N169 HydrophobicContact CB-CB 3.86Å; A107-N169 PolarHBondContact O-ND2 3.5Å; A110-N169 WeakPolarHBondContact CB-ND2 3.4Å; A111-N169 PolarHBondContact N-ND2 3.44Å; W119-N169 HydrophobicContact CH2-CB 4.08Å; W119-N169 HydrophobicContact CZ3-CB 4.11Å; R165-N169 WeakPolarHBondContact O-CB 3.44Å; R165-N169 PolarHBondContact O-N 2.84Å; R165-N169 PolarHBondContact O-ND2 2.78Å; V166-N169 WeakPolarHBondContact O-CB 3.49Å; V166-N169 PolarHBondContact O-N 3.46Å; L167-N169 VanDerWaalsContact C-N 3.28Å; L167-N169 PolarHBondContact O-N 3.3Å; N169-V171 VanDerWaalsContact C-N 3.33Å; N169-V171 PolarHBondContact O-N 2.71Å; N169-R172 WeakPolarHBondContact O-CB 3.28Å; N169-R172 PolarHBondContact O-N 3.48Å; N169-I173 WeakPolarHBondContact O-CG1 3.43Å; N169-I173 PolarHBondContact O-N 3.24Å
170Y98.1Very high94Very high0 Ų055.9 Ų55.90%027%0.27CS..Hα-helixtrans-64.1-37.7172.8-75.5-54.3000112.6E14 R100 S104 A107 V166 L167 R172 I173 S174 W194E14-Y170 HydrophobicContact CB-CE1 3.98Å; E14-Y170 HydrophobicContact CG-CE1 4.15Å; E14-Y170 PolarHBondContact OE2-OH 3.31Å; R100-Y170 PolarHBondContact NH1-OH 3.42Å; S104-Y170 WeakPolarHBondContact CA-OH 3.08Å; S104-Y170 PolarHBondContact OG-OH 3.28Å; A107-Y170 HydrophobicContact CB-CD1 4.07Å; A107-Y170 HydrophobicContact CB-CE1 3.85Å; A107-Y170 HydrophobicContact CB-CE2 4.49Å; A107-Y170 HydrophobicContact CB-CG 4.46Å; V166-Y170 HydrophobicContact CG1-CD2 3.93Å; V166-Y170 HydrophobicContact CG1-CE2 3.42Å; V166-Y170 VanDerWaalsContact CG1-CE2 3.42Å; V166-Y170 VanDerWaalsContact O-CD2 3.31Å; V166-Y170 WeakPolarHBondContact O-CD2 3.45Å; V166-Y170 PolarHBondContact O-N 3.5Å; L167-Y170 HydrophobicContact CD2-CD2 4.45Å; L167-Y170 PolarHBondContact O-N 3.08Å; Y170-R172 VanDerWaalsContact C-N 3.29Å; Y170-R172 PolarHBondContact O-N 3.06Å; Y170-I173 HydrophobicContact CD1-CD1 4.33Å; Y170-I173 PolarHBondContact O-N 3.41Å; Y170-S174 PolarHBondContact O-N 3.27Å; Y170-W194 AromaticContact CD1-CH2 3.86Å; Y170-W194 HydrophobicContact CD1-CH2 3.86Å; Y170-W194 AromaticContact CD1-CZ2 3.88Å; Y170-W194 HydrophobicContact CD1-CZ2 3.88Å; Y170-W194 HydrophobicContact CG-CZ2 4.39Å
171V97.4Very high93.5Very high64 Ų6456.7 Ų56.739%0.38827%0.274SS..Hα-helixtrans-65.5-34.7173.3175.40000111.4L167 E168 N169 S174 K175 F196L167-V171 PolarHBondContact O-N 3.23Å; L167-V171 VanDerWaalsContact O-N 3.12Å; E168-V171 PolarHBondContact O-N 2.85Å; N169-V171 VanDerWaalsContact C-N 3.33Å; N169-V171 PolarHBondContact O-N 2.71Å; V171-S174 PolarHBondContact O-OG 2.99Å; V171-K175 WeakPolarHBondContact O-CG 3.46Å; V171-K175 PolarHBondContact O-N 2.86Å; V171-F196 HydrophobicContact CG2-CE1 4.41Å; V171-F196 HydrophobicContact CG2-CZ 4.12Å
172R97.5Very high92.5Very high103 Ų10358 Ų5839%0.38928%0.275SS..Hα-helixtrans-65.6-50.4172-177.2179.9173.9-175.2-1.1111.2W119 E120 E168 N169 Y170 S174 K175 D176W119-R172 HydrophobicContact CH2-CB 4.27Å; W119-R172 HydrophobicContact CH2-CG 4.22Å; W119-R172 HydrophobicContact CZ2-CB 4.22Å; W119-R172 HydrophobicContact CZ2-CG 3.77Å; E120-R172 IonicContact OE1-NH2 3.86Å; E168-R172 PolarHBondContact O-N 2.61Å; N169-R172 WeakPolarHBondContact O-CB 3.28Å; N169-R172 PolarHBondContact O-N 3.48Å; Y170-R172 VanDerWaalsContact C-N 3.29Å; Y170-R172 PolarHBondContact O-N 3.06Å; R172-S174 VanDerWaalsContact C-N 3.3Å; R172-S174 PolarHBondContact O-N 3.36Å; R172-K175 WeakPolarHBondContact O-CB 3.39Å; R172-K175 PolarHBondContact O-N 3.11Å; R172-K175 VanDerWaalsContact O-N 3.08Å; R172-D176 IonicContact NE-OD2 2.85Å; R172-D176 PolarHBondContact O-N 2.93Å
173I97.6Very high90.9Very high0 Ų064.1 Ų64.10%031%0.309CS..Hα-helixtrans-55.1-45.2178.2-71.5168.8000111.2Y103 I106 A107 W119 W123 N169 Y170 K175 D176 V177 W194Y103-I173 HydrophobicContact CD1-CG2 3.58Å; Y103-I173 HydrophobicContact CE1-CG2 4.23Å; Y103-I173 HydrophobicContact CG-CG2 4.26Å; I106-I173 HydrophobicContact CB-CD1 4.24Å; I106-I173 HydrophobicContact CG2-CD1 4.23Å; A107-I173 HydrophobicContact CB-CD1 3.96Å; W119-I173 HydrophobicContact CH2-CD1 4.06Å; W119-I173 HydrophobicContact CH2-CG1 3.56Å; W119-I173 HydrophobicContact CZ2-CD1 4.42Å; W119-I173 HydrophobicContact CZ2-CG1 3.51Å; W123-I173 HydrophobicContact CH2-CG2 4.04Å; W123-I173 HydrophobicContact CZ2-CB 4.4Å; W123-I173 HydrophobicContact CZ2-CG1 4.08Å; W123-I173 HydrophobicContact CZ2-CG2 3.89Å; N169-I173 WeakPolarHBondContact O-CG1 3.43Å; N169-I173 PolarHBondContact O-N 3.24Å; Y170-I173 HydrophobicContact CD1-CD1 4.33Å; Y170-I173 PolarHBondContact O-N 3.41Å; I173-K175 PolarHBondContact O-N 2.97Å; I173-D176 PolarHBondContact O-N 3.17Å; I173-V177 HydrophobicContact CG2-CG2 4.23Å; I173-V177 WeakPolarHBondContact O-CG2 3.48Å; I173-V177 PolarHBondContact O-N 2.89Å; I173-W194 HydrophobicContact CB-CH2 4.33Å; I173-W194 HydrophobicContact CB-CZ3 4.48Å; I173-W194 HydrophobicContact CG2-CE3 4.14Å; I173-W194 HydrophobicContact CG2-CH2 3.62Å; I173-W194 HydrophobicContact CG2-CZ3 3.39Å
174S96.5Very high89.2Confident17 Ų1769.5 Ų69.512%0.11934%0.338CS..Hα-helixtrans-61-34.8-17970.70000112.3Y170 V171 R172 E178 W194Y170-S174 PolarHBondContact O-N 3.27Å; V171-S174 PolarHBondContact O-OG 2.99Å; R172-S174 VanDerWaalsContact C-N 3.3Å; R172-S174 PolarHBondContact O-N 3.36Å; S174-E178 WeakPolarHBondContact O-CB 3.44Å; S174-E178 PolarHBondContact O-N 3.14Å; S174-E178 VanDerWaalsContact O-N 3.12Å; S174-W194 VanDerWaalsContact CB-CD1 3.43Å
175K95.4Very high87.3Confident122 Ų12271.7 Ų71.753%0.5335%0.354SS..Hα-helixtrans-74.1-42.7176.5-67.9172.5-178.8179.80111.8V171 R172 I173 V177 E178 L179V171-K175 WeakPolarHBondContact O-CG 3.46Å; V171-K175 PolarHBondContact O-N 2.86Å; R172-K175 WeakPolarHBondContact O-CB 3.39Å; R172-K175 PolarHBondContact O-N 3.11Å; R172-K175 VanDerWaalsContact O-N 3.08Å; I173-K175 PolarHBondContact O-N 2.97Å; K175-V177 VanDerWaalsContact C-N 3.33Å; K175-V177 PolarHBondContact O-N 2.84Å; K175-E178 PolarHBondContact O-N 3.25Å; K175-L179 VanDerWaalsContact O-CG 3.31Å; K175-L179 WeakPolarHBondContact O-CG 3.13Å; K175-L179 PolarHBondContact O-N 3.23Å
176D93.8Very high85.3Confident41 Ų4173.4 Ų73.422%0.21937%0.369CS..Hα-helixtrans-58.4-47.7177.3-65.8-7.5000109.8W119 R172 I173 E178 L179 D180W119-D176 PolarHBondContact NE1-OD2 2.76Å; R172-D176 IonicContact NE-OD2 2.85Å; R172-D176 PolarHBondContact O-N 2.93Å; I173-D176 PolarHBondContact O-N 3.17Å; D176-E178 PolarHBondContact O-N 2.99Å; D176-L179 PolarHBondContact O-N 3.18Å; D176-D180 PolarHBondContact O-N 3.28Å
177V92Very high83.5Confident12 Ų1282.6 Ų82.67%0.07341%0.412CS..Hα-helixtrans-63.5-39.8176.7169.90000112.7Y103 W123 I173 K175 L179 D180 N181 L193Y103-V177 HydrophobicContact CE1-CG2 4.35Å; W123-V177 HydrophobicContact CH2-CG2 3.91Å; I173-V177 HydrophobicContact CG2-CG2 4.23Å; I173-V177 WeakPolarHBondContact O-CG2 3.48Å; I173-V177 PolarHBondContact O-N 2.89Å; K175-V177 VanDerWaalsContact C-N 3.33Å; K175-V177 PolarHBondContact O-N 2.84Å; V177-L179 VanDerWaalsContact C-N 3.28Å; V177-L179 PolarHBondContact O-N 3.48Å; V177-D180 PolarHBondContact O-N 3.28Å; V177-N181 WeakPolarHBondContact O-CB 3.43Å; V177-N181 PolarHBondContact O-N 3.45Å; V177-N181 VanDerWaalsContact O-N 3.08Å; V177-N181 PolarHBondContact O-ND2 3.37Å; V177-L193 HydrophobicContact CG1-CB 4.2Å; V177-L193 HydrophobicContact CG1-CD2 3.37Å; V177-L193 HydrophobicContact CG1-CG 4.18Å
178E88.5Confident81.6Confident106 Ų10686.2 Ų86.250%0.49544%0.436SS..Hα-helixtrans-65.1-34.6177.2-166.6-166.3149.200111.7S174 K175 D176 K182S174-E178 WeakPolarHBondContact O-CB 3.44Å; S174-E178 PolarHBondContact O-N 3.14Å; S174-E178 VanDerWaalsContact O-N 3.12Å; K175-E178 PolarHBondContact O-N 3.25Å; D176-E178 PolarHBondContact O-N 2.99Å; E178-K182 WeakPolarHBondContact O-CG 3.3Å; E178-K182 PolarHBondContact O-N 2.79Å; E178-K182 WeakPolarHBondContact OE1-CE 3.45Å; E178-K182 IonicContact OE1-NZ 2.74Å; E178-K182 PolarHBondContact OE1-NZ 3.12Å
179L87.7Confident80.4Confident101 Ų10184.3 Ų84.353%0.52943%0.429SS..Hα-helixtrans-70.2-46.4176-69.6169.3000111.3K175 D176 V177 N181 K182K175-L179 VanDerWaalsContact O-CG 3.31Å; K175-L179 WeakPolarHBondContact O-CG 3.13Å; K175-L179 PolarHBondContact O-N 3.23Å; D176-L179 PolarHBondContact O-N 3.18Å; V177-L179 VanDerWaalsContact C-N 3.28Å; V177-L179 PolarHBondContact O-N 3.48Å; L179-N181 PolarHBondContact O-N 3.46Å; L179-K182 PolarHBondContact O-N 3.16Å; L179-K182 VanDerWaalsContact O-N 3.1Å
180D83.9Confident79.2Confident100 Ų10088.6 Ų88.654%0.53546%0.461SS..Hα-helixtrans-61.9-31.7178.5-70.6-11.9000112.3D176 V177 N184D176-D180 PolarHBondContact O-N 3.28Å; V177-D180 PolarHBondContact O-N 3.28Å; D180-N184 PolarHBondContact O-ND2 2.88Å
181N76.9Confident78.4Confident75 Ų7589.7 Ų89.740%0.40147%0.467SS..Hα-helixtrans-78.2-25.4176.1-75.6-22.4000113.7V177 L179 D183 N184V177-N181 WeakPolarHBondContact O-CB 3.43Å; V177-N181 PolarHBondContact O-N 3.45Å; V177-N181 VanDerWaalsContact O-N 3.08Å; V177-N181 PolarHBondContact O-ND2 3.37Å; L179-N181 PolarHBondContact O-N 3.46Å; N181-D183 PolarHBondContact O-N 2.96Å; N181-N184 CarbonylContact O-C 3.46Å; N181-N184 PolarHBondContact O-N 3.39Å; N181-N184 VanDerWaalsContact O-N 3.1Å
182K69.5Low77.9Confident123 Ų12388 Ų8854%0.53546%0.464SS..Hα-helixtrans-67.4-24.5176-81.1171.9-175.2161.80112.8E178 L179 N184E178-K182 WeakPolarHBondContact O-CG 3.3Å; E178-K182 PolarHBondContact O-N 2.79Å; E178-K182 WeakPolarHBondContact OE1-CE 3.45Å; E178-K182 IonicContact OE1-NZ 2.74Å; E178-K182 PolarHBondContact OE1-NZ 3.12Å; L179-K182 PolarHBondContact O-N 3.16Å; L179-K182 VanDerWaalsContact O-N 3.1Å; K182-N184 VanDerWaalsContact C-N 3.28Å
183D62Low77.7Confident140 Ų14084.4 Ų84.475%0.74945%0.452SS*.THydrogen-bonded Turntrans-80.8-13.4175.2-67.9-22.8000112.3N181N181-D183 PolarHBondContact O-N 2.96Å
184N59.5Low77.7Confident114 Ų11485.9 Ų85.961%0.6146%0.457SS*.SBendtrans-104.888.5174.3-66-50.8000108.4D180 N181 K182 D186D180-N184 PolarHBondContact O-ND2 2.88Å; N181-N184 CarbonylContact O-C 3.46Å; N181-N184 PolarHBondContact O-N 3.39Å; N181-N184 VanDerWaalsContact O-N 3.1Å; K182-N184 VanDerWaalsContact C-N 3.28Å; N184-D186 PolarHBondContact O-N 2.91Å
185D52.3Low77.7Confident152 Ų15287.1 Ų87.181%0.81346%0.461SS*.  trans-56.741.6-179.1-93.9-21.5000115.8E187D185-E187 VanDerWaalsContact C-N 3.31Å; D185-E187 PolarHBondContact O-N 2.97Å; D185-E187 VanDerWaalsContact O-N 3.07Å
186D55.8Low77.8Confident115 Ų11585.4 Ų85.462%0.61545%0.454SS*.  trans-83.879.3170.9-146.3-18.8000109.1N184 T188N184-D186 PolarHBondContact O-N 2.91Å; D186-T188 PolarHBondContact O-N 2.91Å; D186-T188 WeakPolarHBondContact OD1-CG2 3.24Å; D186-T188 PolarHBondContact OD1-OG1 3.31Å
187E57.7Low77.9Confident193 Ų19384.2 Ų84.290%0.90245%0.447SS*.THydrogen-bonded Turntrans-53.8-4.9175-77.1-171.5152.500113.6D185D185-E187 VanDerWaalsContact C-N 3.31Å; D185-E187 PolarHBondContact O-N 2.97Å; D185-E187 VanDerWaalsContact O-N 3.07Å
188T57.9Low78.1Confident105 Ų10587.6 Ų87.664%0.64446%0.462SS*.THydrogen-bonded Turntrans-87-23.8-171.868.90000114.6D186 S190D186-T188 PolarHBondContact O-N 2.91Å; D186-T188 WeakPolarHBondContact OD1-CG2 3.24Å; D186-T188 PolarHBondContact OD1-OG1 3.31Å; T188-S190 PolarHBondContact O-N 2.81Å; T188-S190 VanDerWaalsContact O-N 3.17Å
189D69.6Low78.2Confident65 Ų6582.8 Ų82.835%0.34844%0.441SS..  trans-90.180.6-179.2-173.321.8000113.1V191 G192 K218D189-V191 PolarHBondContact O-N 3.46Å; D189-V191 VanDerWaalsContact O-N 3.13Å; D189-V191 PolarHBondContact OD1-N 2.65Å; D189-G192 PolarHBondContact O-N 2.84Å; D189-K218 IonicContact OD1-NZ 2.82Å; D189-K218 PolarHBondContact OD1-NZ 2.87Å; D189-K218 IonicContact OD2-NZ 2.65Å; D189-K218 PolarHBondContact OD2-NZ 2.77Å
190S72.7Confident77.9Confident113 Ų11378.2 Ų78.279%0.7942%0.417SS*.THydrogen-bonded Turntrans-64.3-15.3178.761.50000115.1T188T188-S190 PolarHBondContact O-N 2.81Å; T188-S190 VanDerWaalsContact O-N 3.17Å
191V81.4Confident77.9Confident22 Ų2279.4 Ų79.413%0.13342%0.423CS..THydrogen-bonded Turntrans-86.1-28.9-176.8-178.10000111L134 D189 H195 K218L134-V191 HydrophobicContact CD1-CG1 4.39Å; D189-V191 PolarHBondContact O-N 3.46Å; D189-V191 VanDerWaalsContact O-N 3.13Å; D189-V191 PolarHBondContact OD1-N 2.65Å; V191-H195 PolarHBondContact O-CE1 2.77Å; V191-H195 PolarHBondContact O-NE2 2.76Å; V191-K218 HydrophobicContact CG1-CB 4.38Å
192G88.2Confident78.5Confident30 Ų3079.4 Ų79.431%0.30942%0.42SS..  trans67.8166.5-171.900000113.1D189 H195 K218D189-G192 PolarHBondContact O-N 2.84Å; G192-H195 PolarHBondContact O-NE2 3.19Å; G192-K218 WeakPolarHBondContact O-CE 3.38Å; G192-K218 PolarHBondContact O-NZ 3.15Å
193L93.4Very high79.7Confident27 Ų2776.7 Ų76.714%0.14141%0.414CS..SBendtrans-78.3-44-174.3-178.457.7000113.2P132 V135 V177P132-L193 HydrophobicContact CG-CD1 4.38Å; P132-L193 WeakPolarHBondContact O-CD1 3.46Å; V135-L193 HydrophobicContact CG2-CD1 3.99Å; V135-L193 HydrophobicContact CG2-CG 4.09Å; V135-L193 PolarHBondContact N-O 2.77Å; V177-L193 HydrophobicContact CG1-CB 4.2Å; V177-L193 HydrophobicContact CG1-CD2 3.37Å; V177-L193 HydrophobicContact CG1-CG 4.18Å
194W96.7Very high81.2Confident31 Ų3173 Ų7312%0.11740%0.396CS..EExtended strand (participates in β ladder)trans-113.4131.2-164.5-165.4-71.5000113.5E14 Y103 V135 C137 Y170 I173 S174 F196E14-W194 HydrophobicContact CG-CH2 4.46Å; Y103-W194 HydrophobicContact CD1-CH2 4.25Å; Y103-W194 AromaticContact CD1-CZ3 3.62Å; Y103-W194 HydrophobicContact CD1-CZ3 3.62Å; Y103-W194 HydrophobicContact CD2-CH2 4.19Å; Y103-W194 AromaticContact CD2-CZ3 3.76Å; Y103-W194 HydrophobicContact CD2-CZ3 3.76Å; Y103-W194 AromaticContact CE1-CZ3 3.89Å; Y103-W194 HydrophobicContact CE1-CZ3 3.89Å; Y103-W194 HydrophobicContact CE2-CZ3 4.06Å; Y103-W194 AromaticContact CG-CH2 3.83Å; Y103-W194 HydrophobicContact CG-CH2 3.83Å; Y103-W194 AromaticContact CG-CZ3 3.51Å; Y103-W194 HydrophobicContact CG-CZ3 3.51Å; V135-W194 HydrophobicContact CB-CD2 4.21Å; V135-W194 HydrophobicContact CB-CE3 3.84Å; V135-W194 HydrophobicContact CB-CZ3 4.25Å; V135-W194 HydrophobicContact CG1-CD2 4Å; V135-W194 HydrophobicContact CG1-CE3 3.64Å; V135-W194 HydrophobicContact CG1-CH2 3.93Å; V135-W194 HydrophobicContact CG1-CZ2 4.29Å; V135-W194 HydrophobicContact CG1-CZ3 3.6Å; V135-W194 HydrophobicContact CG2-CE3 4.26Å; V135-W194 WeakPolarHBondContact O-CA 3.4Å; C137-W194 HydrophobicContact CB-CZ2 3.82Å; Y170-W194 AromaticContact CD1-CH2 3.86Å; Y170-W194 HydrophobicContact CD1-CH2 3.86Å; Y170-W194 AromaticContact CD1-CZ2 3.88Å; Y170-W194 HydrophobicContact CD1-CZ2 3.88Å; Y170-W194 HydrophobicContact CG-CZ2 4.39Å; I173-W194 HydrophobicContact CB-CH2 4.33Å; I173-W194 HydrophobicContact CB-CZ3 4.48Å; I173-W194 HydrophobicContact CG2-CE3 4.14Å; I173-W194 HydrophobicContact CG2-CH2 3.62Å; I173-W194 HydrophobicContact CG2-CZ3 3.39Å; S174-W194 VanDerWaalsContact CB-CD1 3.43Å; W194-F196 AromaticContact CD1-CD2 3.92Å; W194-F196 AromaticContact CD1-CE2 3.51Å; W194-F196 AromaticContact CD1-CZ 3.81Å; W194-F196 AromaticContact NE1-CD2 3.91Å; W194-F196 AromaticContact NE1-CE1 3.52Å; W194-F196 AromaticContact NE1-CE2 3.34Å; W194-F196 VanDerWaalsContact NE1-CE2 3.34Å; W194-F196 AromaticContact NE1-CZ 3.13Å
195H97.5Very high83Confident43 Ų4373.9 Ų73.920%0.19940%0.396CS..EExtended strand (participates in β ladder)trans-134.3145.8178.6-66.1-93.2000111.9L134 V135 I136 C137 V191 G192 L214L134-H195 VanDerWaalsContact CD1-CD2 3.49Å; L134-H195 WeakPolarHBondContact CD1-CD2 3.38Å; V135-H195 PolarHBondContact O-N 2.98Å; I136-H195 CarbonylContact C-O 3.59Å; I136-H195 WeakPolarHBondContact CA-O 3.38Å; C137-H195 PolarHBondContact N-O 3.18Å; V191-H195 PolarHBondContact O-CE1 2.77Å; V191-H195 PolarHBondContact O-NE2 2.76Å; G192-H195 PolarHBondContact O-NE2 3.19Å; H195-L214 HydrophobicContact CB-CD1 3.52Å
196F97Very high85.2Confident86 Ų8671.4 Ų71.438%0.37738%0.38SS..EExtended strand (participates in β ladder)trans-108.3136.7172.9-67.6-84.6000111C137 T139 V171 W194C137-F196 HydrophobicContact CB-CD1 3.63Å; C137-F196 HydrophobicContact CB-CE1 3.73Å; C137-F196 HydrophobicContact CB-CG 4.5Å; C137-F196 WeakPolarHBondContact O-CA 3.39Å; T139-F196 HydrophobicContact CG2-CD1 3.72Å; T139-F196 HydrophobicContact CG2-CE1 4.43Å; V171-F196 HydrophobicContact CG2-CE1 4.41Å; V171-F196 HydrophobicContact CG2-CZ 4.12Å; W194-F196 AromaticContact CD1-CD2 3.92Å; W194-F196 AromaticContact CD1-CE2 3.51Å; W194-F196 AromaticContact CD1-CZ 3.81Å; W194-F196 AromaticContact NE1-CD2 3.91Å; W194-F196 AromaticContact NE1-CE1 3.52Å; W194-F196 AromaticContact NE1-CE2 3.34Å; W194-F196 VanDerWaalsContact NE1-CE2 3.34Å; W194-F196 AromaticContact NE1-CZ 3.13Å
197I96.7Very high87.1Confident15 Ų1566.1 Ų66.18%0.07735%0.352CS..EExtended strand (participates in β ladder)trans-128.9120.1173-61.5179.3000109.2I136 C137 L138 T139 A199 V207 C210 I211 L214I136-I197 HydrophobicContact CG2-CB 4.49Å; I136-I197 HydrophobicContact CG2-CD1 3.56Å; I136-I197 HydrophobicContact CG2-CG1 3.91Å; C137-I197 PolarHBondContact O-N 3.22Å; L138-I197 CarbonylContact C-O 3.57Å; L138-I197 WeakPolarHBondContact CA-O 3.35Å; L138-I197 HydrophobicContact CD2-CB 3.95Å; L138-I197 HydrophobicContact CD2-CG2 4.36Å; T139-I197 PolarHBondContact N-O 2.63Å; I197-A199 PolarHBondContact O-N 3.06Å; I197-V207 HydrophobicContact CG2-CG1 4.3Å; I197-C210 HydrophobicContact CD1-CB 3.93Å; I197-C210 HydrophobicContact CG2-CB 4.19Å; I197-I211 HydrophobicContact CD1-CB 4.45Å; I197-I211 HydrophobicContact CD1-CG1 3.64Å; I197-L214 HydrophobicContact CD1-CD1 3.95Å; I197-L214 HydrophobicContact CG1-CD1 4.33Å
198Q94.3Very high89.1Confident83 Ų8358.7 Ų58.739%0.38832%0.317SS..EExtended strand (participates in β ladder)trans-69.2111.8169.3-174.8-166.5-48.800109.5T139 T200 K202T139-Q198 CarbonylContact O-C 3.57Å; T139-Q198 VanDerWaalsContact O-CA 3.28Å; T139-Q198 WeakPolarHBondContact O-CA 3.13Å; T139-Q198 WeakPolarHBondContact OG1-CA 3.4Å; Q198-T200 PolarHBondContact NE2-O 2.81Å; Q198-K202 WeakPolarHBondContact O-CD 3.45Å; Q198-K202 WeakPolarHBondContact O-CE 3.48Å; Q198-K202 PolarHBondContact O-NZ 3.39Å
199A91.5Very high91Very high6 Ų661 Ų615%0.0532%0.319CS..  trans-101.1-6.8-170.900000114.9V19 L138 T139 I197 V207V19-A199 HydrophobicContact CG2-CB 4.04Å; L138-A199 HydrophobicContact CB-CB 4.09Å; L138-A199 HydrophobicContact CD1-CB 4.4Å; L138-A199 HydrophobicContact CD2-CB 4.41Å; T139-A199 PolarHBondContact O-N 3.49Å; I197-A199 PolarHBondContact O-N 3.06Å; A199-V207 HydrophobicContact CB-CG1 3.95Å; A199-V207 HydrophobicContact CB-CG2 4.04Å
200T81.2Confident92.3Very high4 Ų460.7 Ų60.73%0.02532%0.321CS..SBendtrans-96.2165.3172.3630000111.1P140 G141 E145 Q198 K202P140-T200 WeakPolarHBondContact CA-OG1 3.26Å; P140-T200 HydrophobicContact CB-CG2 3.78Å; G141-T200 PolarHBondContact N-OG1 3.21Å; E145-T200 HydrophobicContact CB-CG2 4.19Å; E145-T200 WeakPolarHBondContact OE2-CB 3.03Å; E145-T200 WeakPolarHBondContact OE2-CG2 3.38Å; E145-T200 PolarHBondContact OE2-OG1 3.39Å; Q198-T200 PolarHBondContact NE2-O 2.81Å; T200-K202 PolarHBondContact O-N 3.07Å; T200-K202 PolarHBondContact O-NZ 3.22Å
201D84.9Confident93.5Very high125 Ų12555.3 Ų55.367%0.66828%0.283SS*.SBendtrans55.222.7-166.1-56.9-35.2000114.8
202K89.1Confident94.3Very high75 Ų7555.3 Ų55.333%0.32628%0.282SS..SBendtrans-133.9150.4178.5-67.2-178.6-164.866.90109.5Q198 T200 E206 V207Q198-K202 WeakPolarHBondContact O-CD 3.45Å; Q198-K202 WeakPolarHBondContact O-CE 3.48Å; Q198-K202 PolarHBondContact O-NZ 3.39Å; T200-K202 PolarHBondContact O-N 3.07Å; T200-K202 PolarHBondContact O-NZ 3.22Å; K202-E206 VanDerWaalsContact CA-OE2 3.26Å; K202-E206 WeakPolarHBondContact CA-OE2 3.47Å; K202-E206 HydrophobicContact CB-CB 4.06Å; K202-V207 HydrophobicContact CB-CG2 3.67Å; K202-V207 HydrophobicContact CD-CG2 4.3Å
203T93.5Very high94.7Very high67 Ų6758 Ų5841%0.41129%0.292SS..  trans-70.3163.3170.685.40000110.6E205 E206 V207T203-E205 VanDerWaalsContact CB-OE2 3.28Å; T203-E205 WeakPolarHBondContact CB-OE2 3.47Å; T203-E205 PolarHBondContact O-N 3.33Å; T203-E205 PolarHBondContact OG1-N 2.96Å; T203-E205 PolarHBondContact OG1-OE2 3.11Å; T203-E206 PolarHBondContact N-OE2 3.48Å; T203-E206 PolarHBondContact O-N 3.46Å; T203-E206 PolarHBondContact OG1-N 3.43Å; T203-V207 WeakPolarHBondContact O-CG2 2.89Å; T203-V207 PolarHBondContact O-N 2.64Å; T203-V207 VanDerWaalsContact O-N 3.14Å
204V95.3Very high94.9Very high62 Ų6258.1 Ų58.138%0.37629%0.293SS..Hα-helixtrans-56.7-38.8175.2173.70000110.6T23 Q24 L27 H208T23-V204 HydrophobicContact CG2-CG1 3.71Å; T23-V204 HydrophobicContact CG2-CG2 4.39Å; Q24-V204 PolarHBondContact NE2-O 3.29Å; L27-V204 HydrophobicContact CD1-CG1 3.42Å; L27-V204 VanDerWaalsContact CD1-CG1 3.42Å; V204-H208 VanDerWaalsContact O-CB 3.25Å; V204-H208 WeakPolarHBondContact O-CB 3.28Å; V204-H208 PolarHBondContact O-N 2.93Å
205E97.2Very high94.9Very high132 Ų13256.7 Ų56.762%0.61729%0.287SS*.Hα-helixtrans-69.3-39.6-179.9-59.769.9-152.300112.4T203 H208 K209T203-E205 VanDerWaalsContact CB-OE2 3.28Å; T203-E205 WeakPolarHBondContact CB-OE2 3.47Å; T203-E205 PolarHBondContact O-N 3.33Å; T203-E205 PolarHBondContact OG1-N 2.96Å; T203-E205 PolarHBondContact OG1-OE2 3.11Å; E205-H208 PolarHBondContact O-N 2.86Å; E205-K209 WeakPolarHBondContact O-CB 3.26Å; E205-K209 PolarHBondContact O-N 2.78Å
206E97.1Very high94.7Very high100 Ų10059.9 Ų59.947%0.46730%0.3SS..Hα-helixtrans-64.5-46.7177.1-72.3176.2140.900111.3K202 T203 H208 K209 C210K202-E206 VanDerWaalsContact CA-OE2 3.26Å; K202-E206 WeakPolarHBondContact CA-OE2 3.47Å; K202-E206 HydrophobicContact CB-CB 4.06Å; T203-E206 PolarHBondContact N-OE2 3.48Å; T203-E206 PolarHBondContact O-N 3.46Å; T203-E206 PolarHBondContact OG1-N 3.43Å; E206-H208 VanDerWaalsContact C-N 3.32Å; E206-H208 PolarHBondContact O-N 3.48Å; E206-K209 PolarHBondContact O-N 3.38Å; E206-C210 PolarHBondContact O-N 2.91Å
207V97.4Very high94.5Very high4 Ų458.1 Ų58.12%0.02430%0.299CS..Hα-helixtrans-61.9-43.6174.8178.70000110.5Q24 L138 I197 A199 K202 T203 K209 C210 I211Q24-V207 HydrophobicContact CG-CG1 4Å; L138-V207 HydrophobicContact CD2-CG1 4.32Å; I197-V207 HydrophobicContact CG2-CG1 4.3Å; A199-V207 HydrophobicContact CB-CG1 3.95Å; A199-V207 HydrophobicContact CB-CG2 4.04Å; K202-V207 HydrophobicContact CB-CG2 3.67Å; K202-V207 HydrophobicContact CD-CG2 4.3Å; T203-V207 WeakPolarHBondContact O-CG2 2.89Å; T203-V207 PolarHBondContact O-N 2.64Å; T203-V207 VanDerWaalsContact O-N 3.14Å; V207-K209 VanDerWaalsContact C-N 3.32Å; V207-K209 PolarHBondContact O-N 3.2Å; V207-C210 WeakPolarHBondContact O-CB 3.48Å; V207-C210 PolarHBondContact O-N 2.75Å; V207-I211 HydrophobicContact CG1-CD1 4.21Å; V207-I211 WeakPolarHBondContact O-CG1 3.45Å; V207-I211 PolarHBondContact O-N 2.95Å
208H98.3Very high94.3Very high37 Ų3757.6 Ų57.617%0.17130%0.296CS..Hα-helixtrans-62.1-40.2178.6-172.758.7000111.9Q24 L27 V204 E205 E206 C210 I211 M212Q24-H208 VanDerWaalsContact OE1-CA 3.26Å; Q24-H208 VanDerWaalsContact OE1-CB 3.27Å; Q24-H208 PolarHBondContact OE1-ND1 2.82Å; L27-H208 HydrophobicContact CD1-CB 4.3Å; V204-H208 VanDerWaalsContact O-CB 3.25Å; V204-H208 WeakPolarHBondContact O-CB 3.28Å; V204-H208 PolarHBondContact O-N 2.93Å; E205-H208 PolarHBondContact O-N 2.86Å; E206-H208 VanDerWaalsContact C-N 3.32Å; E206-H208 PolarHBondContact O-N 3.48Å; H208-C210 VanDerWaalsContact C-N 3.34Å; H208-C210 PolarHBondContact O-N 2.48Å; H208-I211 WeakPolarHBondContact O-CB 3.46Å; H208-I211 PolarHBondContact O-N 2.73Å; H208-M212 WeakPolarHBondContact O-CG 3.26Å; H208-M212 PolarHBondContact O-N 3.11Å
209K97.9Very high94.2Very high155 Ų15554.1 Ų54.167%0.67428%0.28SS*.Hα-helixtrans-60-43.1175.4-175.2-179.6177.1-176.60111.6E205 E206 V207 M212 V213E205-K209 WeakPolarHBondContact O-CB 3.26Å; E205-K209 PolarHBondContact O-N 2.78Å; E206-K209 PolarHBondContact O-N 3.38Å; V207-K209 VanDerWaalsContact C-N 3.32Å; V207-K209 PolarHBondContact O-N 3.2Å; K209-M212 PolarHBondContact O-N 3.35Å; K209-V213 WeakPolarHBondContact O-CG2 3.15Å; K209-V213 PolarHBondContact O-N 3.33Å; K209-V213 VanDerWaalsContact O-N 3.14Å
210C97.5Very high94Very high58 Ų5860.3 Ų60.339%0.39231%0.308SS..Hα-helixtrans-61.7-44.8175.1-67.50000112I197 E206 V207 H208 M212 V213 L214I197-C210 HydrophobicContact CD1-CB 3.93Å; I197-C210 HydrophobicContact CG2-CB 4.19Å; E206-C210 PolarHBondContact O-N 2.91Å; V207-C210 WeakPolarHBondContact O-CB 3.48Å; V207-C210 PolarHBondContact O-N 2.75Å; H208-C210 VanDerWaalsContact C-N 3.34Å; H208-C210 PolarHBondContact O-N 2.48Å; C210-M212 VanDerWaalsContact C-N 3.32Å; C210-M212 PolarHBondContact O-N 3.2Å; C210-V213 PolarHBondContact O-N 2.85Å; C210-L214 PolarHBondContact O-N 3.49Å
211I98.2Very high94.2Very high0 Ų062.2 Ų62.20%032%0.321CS..Hα-helixtrans-57.3-47.1175-70171.6000110.5Q24 L28 I136 L138 I197 V207 H208 V213 L214 V215Q24-I211 HydrophobicContact CB-CD1 3.65Å; Q24-I211 HydrophobicContact CG-CD1 3.8Å; L28-I211 HydrophobicContact CD1-CG2 4.14Å; L28-I211 HydrophobicContact CD2-CG2 4.13Å; I136-I211 HydrophobicContact CD1-CB 4.39Å; I136-I211 HydrophobicContact CD1-CG1 4.38Å; I136-I211 HydrophobicContact CD1-CG2 3.85Å; I136-I211 HydrophobicContact CG2-CG1 4.34Å; L138-I211 HydrophobicContact CD2-CD1 4.24Å; I197-I211 HydrophobicContact CD1-CB 4.45Å; I197-I211 HydrophobicContact CD1-CG1 3.64Å; V207-I211 HydrophobicContact CG1-CD1 4.21Å; V207-I211 WeakPolarHBondContact O-CG1 3.45Å; V207-I211 PolarHBondContact O-N 2.95Å; H208-I211 WeakPolarHBondContact O-CB 3.46Å; H208-I211 PolarHBondContact O-N 2.73Å; I211-V213 VanDerWaalsContact C-N 3.28Å; I211-V213 PolarHBondContact O-N 2.85Å; I211-L214 PolarHBondContact O-N 2.94Å; I211-V215 HydrophobicContact CG2-CG2 4.09Å; I211-V215 WeakPolarHBondContact O-CG2 3.29Å; I211-V215 PolarHBondContact O-N 2.68Å
212M98Very high94.1Very high21 Ų2159.7 Ų59.710%0.10331%0.307CS..Hα-helixtrans-65.8-27.6-177.6-71.2-52.7-58.400113.7L28 A31 I35 H208 K209 C210 K216L28-M212 HydrophobicContact CD1-SD 3.79Å; A31-M212 HydrophobicContact CB-CE 3.82Å; A31-M212 HydrophobicContact CB-SD 3.68Å; I35-M212 HydrophobicContact CD1-CE 3.53Å; H208-M212 WeakPolarHBondContact O-CG 3.26Å; H208-M212 PolarHBondContact O-N 3.11Å; K209-M212 PolarHBondContact O-N 3.35Å; C210-M212 VanDerWaalsContact C-N 3.32Å; C210-M212 PolarHBondContact O-N 3.2Å; M212-K216 WeakPolarHBondContact O-CB 3.43Å; M212-K216 WeakPolarHBondContact O-CG 3.34Å; M212-K216 PolarHBondContact O-N 2.91Å
213V96.8Very high93.5Very high86 Ų8659 Ų5952%0.52131%0.306SS..Hα-helixtrans-62.9-51.6172.5170.50000110K209 C210 I211 V215 K216 S217K209-V213 WeakPolarHBondContact O-CG2 3.15Å; K209-V213 PolarHBondContact O-N 3.33Å; K209-V213 VanDerWaalsContact O-N 3.14Å; C210-V213 PolarHBondContact O-N 2.85Å; I211-V213 VanDerWaalsContact C-N 3.28Å; I211-V213 PolarHBondContact O-N 2.85Å; V213-V215 PolarHBondContact O-N 2.76Å; V213-K216 PolarHBondContact O-N 3.12Å; V213-S217 PolarHBondContact O-N 3.07Å; V213-S217 VanDerWaalsContact O-N 3.09Å; V213-S217 PolarHBondContact O-OG 2.9Å
214L96.8Very high92.1Very high31 Ų3157.3 Ų57.316%0.16230%0.302CS..Hα-helixtrans-62.5-44.3180-62.3176.2000112.2L134 I136 H195 I197 C210 I211 K216 S217 K218L134-L214 HydrophobicContact CD2-CB 4.24Å; I136-L214 HydrophobicContact CD1-CB 4.39Å; I136-L214 HydrophobicContact CD1-CD1 4.2Å; I136-L214 HydrophobicContact CG1-CD1 4.18Å; H195-L214 HydrophobicContact CB-CD1 3.52Å; I197-L214 HydrophobicContact CD1-CD1 3.95Å; I197-L214 HydrophobicContact CG1-CD1 4.33Å; C210-L214 PolarHBondContact O-N 3.49Å; I211-L214 PolarHBondContact O-N 2.94Å; L214-K216 PolarHBondContact O-N 3.31Å; L214-S217 PolarHBondContact O-N 3.43Å; L214-K218 PolarHBondContact O-N 2.88Å
215V96.2Very high90.4Very high0 Ų059.6 Ų59.60%032%0.318CS..Hα-helixtrans-64.3-41.6-179.4171.20000111.4V11 L28 L32 L134 I136 I211 V213 K218 L219V11-V215 HydrophobicContact CG1-CG2 4.44Å; L28-V215 HydrophobicContact CD1-CB 4.38Å; L28-V215 HydrophobicContact CD1-CG1 4.12Å; L28-V215 HydrophobicContact CD1-CG2 3.79Å; L28-V215 HydrophobicContact CD2-CG2 4.33Å; L32-V215 HydrophobicContact CD2-CG1 3.74Å; L32-V215 HydrophobicContact CG-CG1 4.4Å; L134-V215 HydrophobicContact CD2-CG2 3.86Å; I136-V215 HydrophobicContact CD1-CG2 4.18Å; I211-V215 HydrophobicContact CG2-CG2 4.09Å; I211-V215 WeakPolarHBondContact O-CG2 3.29Å; I211-V215 PolarHBondContact O-N 2.68Å; V213-V215 PolarHBondContact O-N 2.76Å; V215-K218 PolarHBondContact O-N 2.92Å; V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 HydrophobicContact CG1-CG 4.44Å; V215-L219 WeakPolarHBondContact O-CB 3.16Å; V215-L219 VanDerWaalsContact O-CG 3.31Å; V215-L219 WeakPolarHBondContact O-CG 3.44Å; V215-L219 PolarHBondContact O-N 3.16Å
216K94.4Very high88.5Confident110 Ų11059.8 Ų59.848%0.47832%0.319SS..Hα-helixtrans-65-44.7176.7-76177.3179.4-174.10111.8M212 V213 L214 K218 L219 E220M212-K216 WeakPolarHBondContact O-CB 3.43Å; M212-K216 WeakPolarHBondContact O-CG 3.34Å; M212-K216 PolarHBondContact O-N 2.91Å; V213-K216 PolarHBondContact O-N 3.12Å; L214-K216 PolarHBondContact O-N 3.31Å; K216-K218 VanDerWaalsContact C-N 3.3Å; K216-K218 PolarHBondContact O-N 2.89Å; K216-L219 PolarHBondContact O-N 2.73Å; K216-E220 WeakPolarHBondContact O-CG 3.3Å; K216-E220 PolarHBondContact O-N 3.46Å
217S92.9Very high86.5Confident49 Ų4961.7 Ų61.734%0.34333%0.331SS..Hα-helixtrans-60.5-40175.6-62.30000112.1V213 L214 E220 S221V213-S217 PolarHBondContact O-N 3.07Å; V213-S217 VanDerWaalsContact O-N 3.09Å; V213-S217 PolarHBondContact O-OG 2.9Å; L214-S217 PolarHBondContact O-N 3.43Å; S217-E220 PolarHBondContact O-N 3.43Å; S217-S221 PolarHBondContact O-N 3.21Å; S217-S221 VanDerWaalsContact O-N 3.08Å
218K92.9Very high84.6Confident4 Ų468.5 Ų68.52%0.01736%0.363CS..Hα-helixtrans-67.7-41.1175.4-175.465.564.3172.60112.4I9 D133 L134 D189 V191 G192 L214 V215 K216 E220 S221 I222I9-K218 HydrophobicContact CD1-CB 4.22Å; I9-K218 HydrophobicContact CD1-CG 3.79Å; D133-K218 HydrophobicContact CB-CG 4.47Å; D133-K218 WeakPolarHBondContact O-CD 3.45Å; D133-K218 WeakPolarHBondContact O-CE 3.18Å; D133-K218 PolarHBondContact O-NZ 2.91Å; L134-K218 HydrophobicContact CB-CG 4.24Å; L134-K218 HydrophobicContact CD2-CB 4.24Å; D189-K218 IonicContact OD1-NZ 2.82Å; D189-K218 PolarHBondContact OD1-NZ 2.87Å; D189-K218 IonicContact OD2-NZ 2.65Å; D189-K218 PolarHBondContact OD2-NZ 2.77Å; V191-K218 HydrophobicContact CG1-CB 4.38Å; G192-K218 WeakPolarHBondContact O-CE 3.38Å; G192-K218 PolarHBondContact O-NZ 3.15Å; L214-K218 PolarHBondContact O-N 2.88Å; V215-K218 PolarHBondContact O-N 2.92Å; K216-K218 VanDerWaalsContact C-N 3.3Å; K216-K218 PolarHBondContact O-N 2.89Å; K218-E220 VanDerWaalsContact C-N 3.29Å; K218-E220 PolarHBondContact O-N 3.38Å; K218-S221 PolarHBondContact O-N 3.39Å; K218-S221 PolarHBondContact O-OG 2.97Å; K218-I222 HydrophobicContact CD-CD1 4.19Å; K218-I222 HydrophobicContact CD-CG1 4.43Å; K218-I222 HydrophobicContact CG-CD1 3.9Å; K218-I222 VanDerWaalsContact O-CG1 3.32Å; K218-I222 WeakPolarHBondContact O-CG1 3.32Å; K218-I222 PolarHBondContact O-N 3.4Å
219L91Very high82.6Confident11 Ų1174.7 Ų74.76%0.05839%0.392CS..Hα-helixtrans-60-41.5174.8-78.2169.6000111.7M5 I9 L32 I35 V215 K216 I222 I223M5-L219 HydrophobicContact CE-CD2 4.02Å; M5-L219 HydrophobicContact SD-CD2 3.46Å; M5-L219 WeakPolarHBondContact SD-CD2 3.49Å; I9-L219 HydrophobicContact CB-CD2 4.05Å; I9-L219 HydrophobicContact CD1-CD2 3.92Å; I9-L219 HydrophobicContact CD1-CG 3.99Å; I9-L219 HydrophobicContact CG2-CD2 3.82Å; L32-L219 HydrophobicContact CD2-CD1 3.92Å; I35-L219 HydrophobicContact CG2-CD1 4.16Å; V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 HydrophobicContact CG1-CG 4.44Å; V215-L219 WeakPolarHBondContact O-CB 3.16Å; V215-L219 VanDerWaalsContact O-CG 3.31Å; V215-L219 WeakPolarHBondContact O-CG 3.44Å; V215-L219 PolarHBondContact O-N 3.16Å; K216-L219 PolarHBondContact O-N 2.73Å; L219-I222 PolarHBondContact O-N 3.23Å; L219-I223 WeakPolarHBondContact O-CB 3.43Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.39Å; L219-I223 PolarHBondContact O-N 2.9Å
220E87.8Confident80.7Confident135 Ų13573.2 Ų73.263%0.63140%0.399SS*.Hα-helixtrans-63.6-40.9176.3-72.7168.4-175.700111.9K216 S217 K218 G224K216-E220 WeakPolarHBondContact O-CG 3.3Å; K216-E220 PolarHBondContact O-N 3.46Å; S217-E220 PolarHBondContact O-N 3.43Å; K218-E220 VanDerWaalsContact C-N 3.29Å; K218-E220 PolarHBondContact O-N 3.38Å; E220-G224 PolarHBondContact O-N 3.33Å; E220-G224 VanDerWaalsContact O-N 3.14Å
221S85.2Confident78.7Confident44 Ų4475.6 Ų75.631%0.30841%0.412SS..Hα-helixtrans-67-34.9177.272.20000112.9S217 K218S217-S221 PolarHBondContact O-N 3.21Å; S217-S221 VanDerWaalsContact O-N 3.08Å; K218-S221 PolarHBondContact O-N 3.39Å; K218-S221 PolarHBondContact O-OG 2.97Å
222I82.7Confident76.3Confident72 Ų7282.7 Ų82.737%0.36945%0.45SS..Hα-helixtrans-75.1-40.4178.8-65.3166.9000112.4I9 D133 K218 L219 G224I9-I222 HydrophobicContact CB-CD1 4.43Å; I9-I222 HydrophobicContact CD1-CD1 4.03Å; I9-I222 HydrophobicContact CG1-CD1 3.92Å; D133-I222 HydrophobicContact CB-CD1 4.01Å; K218-I222 HydrophobicContact CD-CD1 4.19Å; K218-I222 HydrophobicContact CD-CG1 4.43Å; K218-I222 HydrophobicContact CG-CD1 3.9Å; K218-I222 VanDerWaalsContact O-CG1 3.32Å; K218-I222 WeakPolarHBondContact O-CG1 3.32Å; K218-I222 PolarHBondContact O-N 3.4Å; L219-I222 PolarHBondContact O-N 3.23Å; I222-G224 VanDerWaalsContact C-N 3.32Å
223I77Confident73.7Confident61 Ų6191 Ų9131%0.31349%0.485SS..Hα-helixtrans-75.9-26.5-176.9-64.9169.2000111.4M5 L219M5-I223 HydrophobicContact CG-CD1 3.83Å; M5-I223 HydrophobicContact CG-CG1 3.83Å; M5-I223 HydrophobicContact SD-CD1 3.97Å; M5-I223 HydrophobicContact SD-CG1 4.06Å; L219-I223 WeakPolarHBondContact O-CB 3.43Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.39Å; L219-I223 PolarHBondContact O-N 2.9Å
224G64.5Low71.5Confident31 Ų3196.1 Ų96.132%0.3250%0.501SS..  trans71.7173.4-169.400000112.2E220 I222E220-G224 PolarHBondContact O-N 3.33Å; E220-G224 VanDerWaalsContact O-N 3.14Å; I222-G224 VanDerWaalsContact C-N 3.32Å
225P58.2Low69.4Low110 Ų110105.9 Ų105.971%0.71455%0.553SS**  trans-62.2147.5-179.525.4-33.5000111.9I227P225-I227 PolarHBondContact O-N 2.76Å; P225-I227 VanDerWaalsContact O-N 3.08Å
226E57.5Low68Low137 Ų137111.2 Ų111.264%0.6458%0.581SS**  trans-63.1111.4167.9-74.9-165.5165.200109.3H228E226-H228 PolarHBondContact O-N 3.41Å; E226-H228 IonicContact OE2-CE1 3.31Å; E226-H228 PolarHBondContact OE2-CE1 3.45Å; E226-H228 VanDerWaalsContact OE2-CE1 3.31Å; E226-H228 IonicContact OE2-NE2 3.89Å
227I56.2Low66.6Low140 Ų140111.3 Ų111.372%0.71859%0.586SS**  trans-80.4100.2170.4-56176.8000107P225 E229P225-I227 PolarHBondContact O-N 2.76Å; P225-I227 VanDerWaalsContact O-N 3.08Å; I227-E229 PolarHBondContact O-N 3.11Å
228H56.4Low65.2Low147 Ų147114.7 Ų114.768%0.68160%0.6SS**  trans-73.5110.4168.8-66.4-51.2000109.3E226 C230E226-H228 PolarHBondContact O-N 3.41Å; E226-H228 IonicContact OE2-CE1 3.31Å; E226-H228 PolarHBondContact OE2-CE1 3.45Å; E226-H228 VanDerWaalsContact OE2-CE1 3.31Å; E226-H228 IonicContact OE2-NE2 3.89Å; H228-C230 PolarHBondContact O-N 2.7Å
229E57.3Low63.5Low167 Ų167121.2 Ų121.278%0.7863%0.634SS**  trans-65.1119.5165.6-72.5-176.2171.500108.8I227 T231I227-E229 PolarHBondContact O-N 3.11Å; E229-T231 VanDerWaalsContact C-N 3.25Å; E229-T231 PolarHBondContact O-N 3.4Å
230C57Low61.8Low123 Ų123128.1 Ų128.183%0.83167%0.67SS**  trans-67.886.3167.8-68.80000109H228 N232H228-C230 PolarHBondContact O-N 2.7Å; C230-N232 PolarHBondContact O-N 3.22Å
231T55.5Low60.1Low108 Ų108127.7 Ų127.766%0.66367%0.673SS**  trans-69.9103165.455.20000108.1E229 K233E229-T231 VanDerWaalsContact C-N 3.25Å; E229-T231 PolarHBondContact O-N 3.4Å; T231-K233 PolarHBondContact O-N 3.23Å
232N47.6Very low58.3Low150 Ų150133.6 Ų133.680%0.80270%0.699SS**  trans-62.389161.9-82.1-32.9000108.3C230 K234C230-N232 PolarHBondContact O-N 3.22Å; N232-K234 VanDerWaalsContact C-N 3.33Å; N232-K234 PolarHBondContact O-N 2.97Å; N232-K234 VanDerWaalsContact O-N 3.11Å
233K44.6Very low56.4Low194 Ų194138.4 Ų138.484%0.84372%0.724SS**  trans-70100155.1-82.2-172.6176.2-178.60106.3T231T231-K233 PolarHBondContact O-N 3.23Å
234K49.2Very low54.7Low194 Ų194144.8 Ų144.884%0.84376%0.759SS**  trans-67.4135.7154.1-76.3-177.7174.1-179.30107.1N232N232-K234 VanDerWaalsContact C-N 3.33Å; N232-K234 PolarHBondContact O-N 2.97Å; N232-K234 VanDerWaalsContact O-N 3.11Å
235D52.8Low53.8Low237 Ų237155.2 Ų155.2100%1.26780%0.798SS**  trans-47.10172.8-60.1-51.4000113.3

Retrieved 235 of 235 residues in 830.5 ms (Link to these results)

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