A0A077Z4M2_TRITR Loading...

Endostatin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4M2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 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
1M53.2Low80.2Confident219 Ų21998.6 Ų98.6100%1.07948%0.482SS*.  031.20-158.2177.4-111.400111.5
2E65.9Low81.2Confident122 Ų12294.1 Ų94.157%0.5746%0.458SS*.  trans-111.3-11.5-179.4-72175.3174.600113I4 F5 R6E2-I4 PolarHBondContact O-N 2.78Å; E2-F5 PolarHBondContact O-N 3.19Å; E2-F5 VanDerWaalsContact O-N 3.16Å; E2-R6 WeakPolarHBondContact O-CG 3.44Å; E2-R6 PolarHBondContact O-N 3.46Å; E2-R6 IonicContact OE2-CZ 2.65Å; E2-R6 IonicContact OE2-NE 3.63Å; E2-R6 IonicContact OE2-NH2 2.73Å; E2-R6 PolarHBondContact OE2-NH2 3.43Å
3D79.7Confident82.2Confident120 Ų12093.8 Ų93.864%0.64246%0.459SS*.Hα-helixtrans-58.7-45.9-164.7-157.424.5000112.9F5 R6D3-F5 PolarHBondContact O-N 3.03Å; D3-R6 PolarHBondContact O-N 3.14Å
4I84.8Confident82.9Confident81 Ų8199.7 Ų99.742%0.41547%0.474SS..Hα-helixtrans-60.6-23.7-177.6-165.4168.8000114.5E2 A10 L75E2-I4 PolarHBondContact O-N 2.78Å; I4-A10 HydrophobicContact CD1-CB 3.95Å; I4-A10 HydrophobicContact CG1-CB 3.36Å; I4-A10 WeakPolarHBondContact O-CA 3.4Å; I4-A10 WeakPolarHBondContact O-CB 3.23Å; I4-A10 PolarHBondContact O-N 2.85Å; I4-L75 HydrophobicContact CD1-CD1 4.29Å
5F86.9Confident83.5Confident87 Ų87103.3 Ų103.338%0.38249%0.49SS..Hα-helixtrans-104.2-6.4-176.8-57.9-68.9000113.6E2 D3 L76E2-F5 PolarHBondContact O-N 3.19Å; E2-F5 VanDerWaalsContact O-N 3.16Å; D3-F5 PolarHBondContact O-N 3.03Å; F5-L76 HydrophobicContact CD1-CD1 3.5Å; F5-L76 HydrophobicContact CE1-CD1 3.58Å
6R79.4Confident84.3Confident159 Ų159101.4 Ų101.460%0.649%0.488SS*.Hα-helixtrans-70.6-46.3-176.7-77.6174.4179-170-3.1111.9E2 D3 G8E2-R6 WeakPolarHBondContact O-CG 3.44Å; E2-R6 PolarHBondContact O-N 3.46Å; E2-R6 IonicContact OE2-CZ 2.65Å; E2-R6 IonicContact OE2-NE 3.63Å; E2-R6 IonicContact OE2-NH2 2.73Å; E2-R6 PolarHBondContact OE2-NH2 3.43Å; D3-R6 PolarHBondContact O-N 3.14Å; R6-G8 PolarHBondContact O-N 3.13Å
7D77.2Confident84.9Confident130 Ų13098.3 Ų98.370%0.69548%0.478SS*.SBendtrans-84.94.7-171.6-60.5-21.2000114
8G79.8Confident85.6Confident27 Ų2794.4 Ų94.428%0.27846%0.459SS..SBendtrans69.64817000000114.3R6 T43R6-G8 PolarHBondContact O-N 3.13Å; G8-T43 VanDerWaalsContact C-CB 3.5Å; G8-T43 WeakPolarHBondContact O-CB 3.42Å; G8-T43 WeakPolarHBondContact O-CG2 3.14Å
9G87.9Confident86.3Confident2 Ų297.1 Ų97.12%0.02147%0.465CS..SBendtrans174.6-6.5175.400000115.5F11 S74 L75 L76G9-F11 VanDerWaalsContact C-N 3.34Å; G9-F11 PolarHBondContact O-N 3.2Å; G9-S74 PolarHBondContact O-OG 3.01Å; G9-L75 PolarHBondContact O-N 2.97Å; G9-L76 PolarHBondContact O-N 2.97Å
10A93.5Very high86.9Confident3 Ų393.3 Ų93.33%0.02545%0.449CS..  trans50.954.1-176.400000111.9I4 L75 L76I4-A10 HydrophobicContact CD1-CB 3.95Å; I4-A10 HydrophobicContact CG1-CB 3.36Å; I4-A10 WeakPolarHBondContact O-CA 3.4Å; I4-A10 WeakPolarHBondContact O-CB 3.23Å; I4-A10 PolarHBondContact O-N 2.85Å; A10-L75 HydrophobicContact CB-CB 3.84Å; A10-L75 PolarHBondContact O-N 3.13Å; A10-L76 HydrophobicContact CB-CB 4.13Å; A10-L76 HydrophobicContact CB-CD1 3.71Å; A10-L76 HydrophobicContact CB-CG 3.64Å
11F93.9Very high87.4Confident135 Ų13597.9 Ų97.959%0.59247%0.467SS*.BIsolated β-bridgetrans-68.4143.5177.1-63.6-79.3000110.4G9 F73G9-F11 VanDerWaalsContact C-N 3.34Å; G9-F11 PolarHBondContact O-N 3.2Å; F11-F73 CarbonylContact C-O 3.49Å; F11-F73 VanDerWaalsContact CA-O 3.24Å; F11-F73 WeakPolarHBondContact CA-O 3.38Å
12F92.8Very high89.5Confident44 Ų4491.8 Ų91.819%0.19344%0.44CS..  trans-130.8163.8177.867.5-85.1000111R14 I18 L70 F73 L75F12-R14 PolarHBondContact O-N 3.26Å; F12-I18 HydrophobicContact CE1-CD1 4.43Å; F12-I18 HydrophobicContact CE2-CD1 4.11Å; F12-I18 HydrophobicContact CZ-CD1 3.92Å; F12-L70 HydrophobicContact CE1-CD2 4.12Å; F12-L70 HydrophobicContact CZ-CD2 4.13Å; F12-F73 HydrophobicContact CD1-CB 4.45Å; F12-F73 VanDerWaalsContact CD1-O 3.23Å; F12-F73 WeakPolarHBondContact CD1-O 3.47Å; F12-F73 VanDerWaalsContact CE1-CA 3.42Å; F12-F73 HydrophobicContact CE1-CB 4.23Å; F12-F73 HydrophobicContact CE2-CD1 4.08Å; F12-F73 HydrophobicContact CZ-CB 4.27Å; F12-F73 HydrophobicContact CZ-CD1 4.15Å; F12-F73 PolarHBondContact N-O 3Å; F12-L75 HydrophobicContact CD1-CD2 4.07Å; F12-L75 HydrophobicContact CD1-CG 3.93Å; F12-L75 HydrophobicContact CE1-CD2 3.85Å; F12-L75 HydrophobicContact CE1-CG 4.2Å
13N93.1Very high91.1Very high90 Ų9096.4 Ų96.448%0.48145%0.452SS..  trans-67.7133.3-177.5-177.3-31.9000110.8Q15 T16N13-Q15 PolarHBondContact O-N 3.2Å; N13-Q15 PolarHBondContact OD1-N 3.03Å; N13-Q15 PolarHBondContact OD1-OE1 3.47Å; N13-T16 WeakPolarHBondContact O-CB 3.47Å; N13-T16 PolarHBondContact O-N 2.94Å
14R92.2Very high91.9Very high177 Ų17794.1 Ų94.167%0.66844%0.436SS*.THydrogen-bonded Turntrans-58.3-28.6179.1-59.5-167.2167.1177-4.8114.3F12 T16 F73F12-R14 PolarHBondContact O-N 3.26Å; R14-T16 VanDerWaalsContact C-N 3.33Å; R14-F73 HydrophobicContact CB-CD1 4.02Å; R14-F73 HydrophobicContact CB-CE1 3.73Å; R14-F73 HydrophobicContact CB-CE2 4.34Å; R14-F73 HydrophobicContact CB-CG 4.42Å; R14-F73 HydrophobicContact CB-CZ 3.9Å; R14-F73 HydrophobicContact CG-CD1 3.82Å; R14-F73 HydrophobicContact CG-CD2 3.62Å; R14-F73 HydrophobicContact CG-CE1 3.8Å; R14-F73 HydrophobicContact CG-CE2 3.61Å; R14-F73 HydrophobicContact CG-CG 3.71Å; R14-F73 HydrophobicContact CG-CZ 3.69Å; R14-F73 VanDerWaalsContact NE-CE2 3.31Å
15Q92.8Very high92.5Very high153 Ų15392 Ų9272%0.71543%0.426SS*.THydrogen-bonded Turntrans-85.2-4.9178.9-69.977.144.800113.1N13 P17N13-Q15 PolarHBondContact O-N 3.2Å; N13-Q15 PolarHBondContact OD1-N 3.03Å; N13-Q15 PolarHBondContact OD1-OE1 3.47Å; Q15-P17 WeakPolarHBondContact O-CD 3.38Å
16T95.1Very high93Very high73 Ų7388 Ų8845%0.44841%0.408SS..  trans-87.6110.5-179.6-60.30000110.5N13 R14N13-T16 WeakPolarHBondContact O-CB 3.47Å; N13-T16 PolarHBondContact O-N 2.94Å; R14-T16 VanDerWaalsContact C-N 3.33Å
17P95.9Very high93.8Very high49 Ų4982.5 Ų82.532%0.31839%0.39SS..  trans-69.7153.3173.431-36.1000111Q15 Y19Q15-P17 WeakPolarHBondContact O-CD 3.38Å; P17-Y19 HydrophobicContact CB-CD2 4.44Å; P17-Y19 HydrophobicContact CB-CE1 4.45Å; P17-Y19 HydrophobicContact CB-CE2 3.77Å; P17-Y19 HydrophobicContact CG-CD2 4.33Å; P17-Y19 HydrophobicContact CG-CE2 3.42Å; P17-Y19 VanDerWaalsContact CG-CE2 3.42Å
18I97.3Very high94.7Very high28 Ų2881.1 Ų81.114%0.14439%0.386CS..  trans-113.6122.7171-61.1173.2000107.1F12 N25 V26 L70 L75 L90F12-I18 HydrophobicContact CE1-CD1 4.43Å; F12-I18 HydrophobicContact CE2-CD1 4.11Å; F12-I18 HydrophobicContact CZ-CD1 3.92Å; I18-N25 WeakPolarHBondContact O-CA 3.42Å; I18-N25 PolarHBondContact O-OD1 3.42Å; I18-V26 HydrophobicContact CB-CG2 3.74Å; I18-V26 HydrophobicContact CG2-CG2 3.74Å; I18-V26 WeakPolarHBondContact O-CG2 3.45Å; I18-V26 PolarHBondContact O-N 2.96Å; I18-L70 HydrophobicContact CD1-CD1 4.5Å; I18-L70 HydrophobicContact CD1-CD2 3.96Å; I18-L75 HydrophobicContact CD1-CD2 4.27Å; I18-L90 HydrophobicContact CG2-CD2 3.82Å
19Y98.1Very high95.5Very high145 Ų14582 Ų8257%0.56938%0.384SS*.BIsolated β-bridgetrans-105.2143.7-176.9-66.5-74.3000112.4P17 K24 N25P17-Y19 HydrophobicContact CB-CD2 4.44Å; P17-Y19 HydrophobicContact CB-CE1 4.45Å; P17-Y19 HydrophobicContact CB-CE2 3.77Å; P17-Y19 HydrophobicContact CG-CD2 4.33Å; P17-Y19 HydrophobicContact CG-CE2 3.42Å; P17-Y19 VanDerWaalsContact CG-CE2 3.42Å; Y19-K24 VanDerWaalsContact CA-O 3.3Å; Y19-K24 WeakPolarHBondContact CA-O 3.41Å; Y19-N25 HydrophobicContact CD1-CB 4.21Å; Y19-N25 HydrophobicContact CE1-CB 3.89Å
20S98.2Very high96Very high22 Ų2289 Ų8915%0.15442%0.422CS..  trans-75.1167.6161.659.50000111.3D22 R23 K24S20-D22 WeakPolarHBondContact CB-OD1 3.3Å; S20-D22 PolarHBondContact O-N 3.06Å; S20-D22 PolarHBondContact OG-OD1 3.29Å; S20-R23 WeakPolarHBondContact O-CA 3.33Å; S20-R23 PolarHBondContact O-N 3.48Å; S20-K24 PolarHBondContact N-O 3.02Å; S20-K24 WeakPolarHBondContact OG-CB 3.46Å; S20-K24 PolarHBondContact OG-N 3.15Å; S20-K24 PolarHBondContact OG-O 3.12Å
21F98.3Very high96.1Very high189 Ų18992.6 Ų92.683%0.82944%0.443SS*.THydrogen-bonded Turntrans-61.6-30.6177.5-69.6-70.6000113.4R23 C91F21-R23 PolarHBondContact O-N 3.23Å; F21-C91 HydrophobicContact CE2-CB 4.35Å; F21-C91 HydrophobicContact CZ-CB 4.05Å
22D97.6Very high96.3Very high92 Ų9289 Ų8949%0.49243%0.426SS..THydrogen-bonded Turntrans-84.515.3172.768.4-26.9000113.3S20 K24S20-D22 WeakPolarHBondContact CB-OD1 3.3Å; S20-D22 PolarHBondContact O-N 3.06Å; S20-D22 PolarHBondContact OG-OD1 3.29Å; D22-K24 PolarHBondContact O-N 3.34Å; D22-K24 WeakPolarHBondContact OD2-CD 3.1Å; D22-K24 WeakPolarHBondContact OD2-CE 3.46Å; D22-K24 IonicContact OD2-NZ 2.84Å; D22-K24 PolarHBondContact OD2-NZ 3.26Å
23R97.9Very high96.5Very high219 Ų21992.3 Ų92.383%0.82645%0.452SS*.  trans68.925.8170.5-49.5-179.7-178.3-164.6-0.2115.8S20 F21S20-R23 WeakPolarHBondContact O-CA 3.33Å; S20-R23 PolarHBondContact O-N 3.48Å; F21-R23 PolarHBondContact O-N 3.23Å
24K98.3Very high96.7Very high71 Ų7190.4 Ų90.431%0.30945%0.446SS..  trans-88.6137172.4-63.8170.5178.51550110.5Y19 S20 D22 V26 D29 W32Y19-K24 VanDerWaalsContact CA-O 3.3Å; Y19-K24 WeakPolarHBondContact CA-O 3.41Å; S20-K24 PolarHBondContact N-O 3.02Å; S20-K24 WeakPolarHBondContact OG-CB 3.46Å; S20-K24 PolarHBondContact OG-N 3.15Å; S20-K24 PolarHBondContact OG-O 3.12Å; D22-K24 PolarHBondContact O-N 3.34Å; D22-K24 WeakPolarHBondContact OD2-CD 3.1Å; D22-K24 WeakPolarHBondContact OD2-CE 3.46Å; D22-K24 IonicContact OD2-NZ 2.84Å; D22-K24 PolarHBondContact OD2-NZ 3.26Å; K24-V26 PolarHBondContact O-N 2.92Å; K24-D29 HydrophobicContact CB-CB 4.17Å; K24-D29 WeakPolarHBondContact CD-OD2 3.46Å; K24-D29 WeakPolarHBondContact CG-OD2 3.46Å; K24-W32 HydrophobicContact CB-CH2 4.47Å; K24-W32 HydrophobicContact CB-CZ3 4.04Å; K24-W32 HydrophobicContact CD-CZ3 4.3Å
25N97.3Very high96.9Very high37 Ų3783.4 Ų83.420%0.19842%0.42CS..BIsolated β-bridgetrans-75.9106.4173.4-178.4-0.8000109.3I18 Y19 M27 T28 D29I18-N25 WeakPolarHBondContact O-CA 3.42Å; I18-N25 PolarHBondContact O-OD1 3.42Å; Y19-N25 HydrophobicContact CD1-CB 4.21Å; Y19-N25 HydrophobicContact CE1-CB 3.89Å; N25-M27 PolarHBondContact O-N 3.06Å; N25-M27 VanDerWaalsContact O-N 3.08Å; N25-M27 VanDerWaalsContact OD1-CB 3.27Å; N25-M27 WeakPolarHBondContact OD1-CB 3.36Å; N25-M27 WeakPolarHBondContact OD1-CG 3.23Å; N25-M27 PolarHBondContact OD1-N 3.48Å; N25-M27 VanDerWaalsContact OD1-N 3.15Å; N25-T28 PolarHBondContact O-N 3.26Å; N25-T28 PolarHBondContact O-OG1 3.28Å; N25-D29 VanDerWaalsContact O-CB 3.23Å; N25-D29 WeakPolarHBondContact O-CB 3.34Å; N25-D29 PolarHBondContact O-N 3.11Å
26V97.3Very high97.2Very high4 Ų478.6 Ų78.62%0.02440%0.395CS..THydrogen-bonded Turntrans-62.4-22.6-174.7-51.60000112.5I18 K24 T28 W32 K35 L70 I88I18-V26 HydrophobicContact CB-CG2 3.74Å; I18-V26 HydrophobicContact CG2-CG2 3.74Å; I18-V26 WeakPolarHBondContact O-CG2 3.45Å; I18-V26 PolarHBondContact O-N 2.96Å; K24-V26 PolarHBondContact O-N 2.92Å; V26-T28 VanDerWaalsContact C-N 3.33Å; V26-W32 HydrophobicContact CB-CD2 4.37Å; V26-W32 HydrophobicContact CB-CE3 4.08Å; V26-W32 HydrophobicContact CB-CZ3 4.42Å; V26-W32 HydrophobicContact CG1-CD2 4.32Å; V26-W32 HydrophobicContact CG1-CE3 4.02Å; V26-W32 HydrophobicContact CG1-CH2 4.11Å; V26-W32 HydrophobicContact CG1-CZ2 4.38Å; V26-W32 HydrophobicContact CG1-CZ3 3.92Å; V26-K35 WeakPolarHBondContact O-CD 3.38Å; V26-K35 PolarHBondContact O-NZ 2.8Å; V26-L70 HydrophobicContact CG2-CD1 4.03Å; V26-I88 HydrophobicContact CB-CD1 3.99Å; V26-I88 HydrophobicContact CG2-CD1 3.97Å
27M95Very high97.4Very high43 Ų4375.3 Ų75.321%0.21238%0.375CS..THydrogen-bonded Turntrans-67.2-33.1177-58.3-63-6400112.4N25 K35 L70 F73N25-M27 PolarHBondContact O-N 3.06Å; N25-M27 VanDerWaalsContact O-N 3.08Å; N25-M27 VanDerWaalsContact OD1-CB 3.27Å; N25-M27 WeakPolarHBondContact OD1-CB 3.36Å; N25-M27 WeakPolarHBondContact OD1-CG 3.23Å; N25-M27 PolarHBondContact OD1-N 3.48Å; N25-M27 VanDerWaalsContact OD1-N 3.15Å; M27-K35 VanDerWaalsContact O-CE 3.25Å; M27-K35 WeakPolarHBondContact O-CE 3.35Å; M27-L70 HydrophobicContact CE-CB 3.84Å; M27-L70 HydrophobicContact SD-CB 3.59Å; M27-L70 VanDerWaalsContact SD-CB 3.59Å; M27-L70 HydrophobicContact SD-CD1 3.64Å; M27-L70 HydrophobicContact SD-CG 4.13Å; M27-F73 HydrophobicContact CE-CE1 4.41Å
28T96Very high97.5Very high101 Ų10174.3 Ų74.362%0.6237%0.365SS*.THydrogen-bonded Turntrans-120.8-21-170.459.20000113.7N25 V26N25-T28 PolarHBondContact O-N 3.26Å; N25-T28 PolarHBondContact O-OG1 3.28Å; V26-T28 VanDerWaalsContact C-N 3.33Å
29D97.7Very high97.5Very high44 Ų4474.5 Ų74.524%0.23537%0.366CS..  trans-74.6137.3-177.9-167.1-68.8000111.7K24 N25 T31 W32 K35K24-D29 HydrophobicContact CB-CB 4.17Å; K24-D29 WeakPolarHBondContact CD-OD2 3.46Å; K24-D29 WeakPolarHBondContact CG-OD2 3.46Å; N25-D29 VanDerWaalsContact O-CB 3.23Å; N25-D29 WeakPolarHBondContact O-CB 3.34Å; N25-D29 PolarHBondContact O-N 3.11Å; D29-T31 PolarHBondContact O-N 3.48Å; D29-T31 WeakPolarHBondContact OD1-CB 3.33Å; D29-T31 PolarHBondContact OD1-N 3.44Å; D29-T31 PolarHBondContact OD1-OG1 3.24Å; D29-W32 HydrophobicContact CB-CE3 4.4Å; D29-W32 HydrophobicContact CB-CZ3 4.36Å; D29-K35 PolarHBondContact O-NZ 3.1Å
30N96.9Very high97.5Very high151 Ų15167.8 Ų67.881%0.80734%0.34SS*.THydrogen-bonded Turntrans-75-8.3-176.4-69.7-20.6000114.2W32N30-W32 PolarHBondContact O-N 3.25Å
31T97.5Very high97.5Very high77 Ų7767.3 Ų67.347%0.47234%0.337SS..THydrogen-bonded Turntrans-56.6-32.4173.5-56.10000111.5D29 P33D29-T31 PolarHBondContact O-N 3.48Å; D29-T31 WeakPolarHBondContact OD1-CB 3.33Å; D29-T31 PolarHBondContact OD1-N 3.44Å; D29-T31 PolarHBondContact OD1-OG1 3.24Å; T31-P33 WeakPolarHBondContact O-CD 3.42Å
32W97.4Very high97.4Very high60 Ų6062.3 Ų62.323%0.22732%0.316CS..  trans-111.989175.1-62.8-86.9000110.4K24 V26 D29 N30 S34 K35 I88K24-W32 HydrophobicContact CB-CH2 4.47Å; K24-W32 HydrophobicContact CB-CZ3 4.04Å; K24-W32 HydrophobicContact CD-CZ3 4.3Å; V26-W32 HydrophobicContact CB-CD2 4.37Å; V26-W32 HydrophobicContact CB-CE3 4.08Å; V26-W32 HydrophobicContact CB-CZ3 4.42Å; V26-W32 HydrophobicContact CG1-CD2 4.32Å; V26-W32 HydrophobicContact CG1-CE3 4.02Å; V26-W32 HydrophobicContact CG1-CH2 4.11Å; V26-W32 HydrophobicContact CG1-CZ2 4.38Å; V26-W32 HydrophobicContact CG1-CZ3 3.92Å; D29-W32 HydrophobicContact CB-CE3 4.4Å; D29-W32 HydrophobicContact CB-CZ3 4.36Å; N30-W32 PolarHBondContact O-N 3.25Å; W32-S34 VanDerWaalsContact C-N 3.26Å; W32-S34 PolarHBondContact O-N 3.5Å; W32-K35 WeakPolarHBondContact O-CD 3.3Å; W32-K35 WeakPolarHBondContact O-CE 3.33Å; W32-K35 PolarHBondContact O-NZ 2.97Å; W32-I88 HydrophobicContact CB-CD1 4.22Å; W32-I88 HydrophobicContact CB-CG1 4.07Å; W32-I88 HydrophobicContact CD2-CG1 4.41Å; W32-I88 HydrophobicContact CG-CD1 4.25Å; W32-I88 HydrophobicContact CG-CG1 3.68Å
33P96.3Very high97.2Very high114 Ų11460.3 Ų60.374%0.7431%0.308SS*.SBendtrans-63.6-33.7-178.724-33.5000112.4T31T31-P33 WeakPolarHBondContact O-CD 3.42Å
34S97Very high97Very high50 Ų5058.5 Ų58.535%0.3530%0.301SS..SBendtrans-99.4115175.9-58.40000110.8W32 Y36W32-S34 VanDerWaalsContact C-N 3.26Å; W32-S34 PolarHBondContact O-N 3.5Å; S34-Y36 PolarHBondContact O-N 3.11Å
35K97.6Very high96.8Very high29 Ų2956.8 Ų56.813%0.12630%0.303CS..  trans-83.151.4-176.3-53.4-55-177.2-172.50112.9V26 M27 D29 W32 L70 E71V26-K35 WeakPolarHBondContact O-CD 3.38Å; V26-K35 PolarHBondContact O-NZ 2.8Å; M27-K35 VanDerWaalsContact O-CE 3.25Å; M27-K35 WeakPolarHBondContact O-CE 3.35Å; D29-K35 PolarHBondContact O-NZ 3.1Å; W32-K35 WeakPolarHBondContact O-CD 3.3Å; W32-K35 WeakPolarHBondContact O-CE 3.33Å; W32-K35 PolarHBondContact O-NZ 2.97Å; K35-L70 HydrophobicContact CB-CB 4.4Å; K35-L70 WeakPolarHBondContact O-CB 3.4Å; K35-L70 PolarHBondContact O-N 3.06Å; K35-E71 HydrophobicContact CB-CG 4.38Å
36Y98.5Very high96.7Very high52 Ų5261.8 Ų61.820%0.20432%0.323CS..EExtended strand (participates in β ladder)trans-112.4148.8179.2-75.8-88000111.1S34 A67 S68 Q79 F81 F87 I88S34-Y36 PolarHBondContact O-N 3.11Å; Y36-A67 HydrophobicContact CD1-CB 4.36Å; Y36-S68 CarbonylContact C-O 3.52Å; Y36-S68 VanDerWaalsContact CA-O 3.24Å; Y36-S68 WeakPolarHBondContact CA-O 3.41Å; Y36-S68 WeakPolarHBondContact CD1-O 3.3Å; Y36-Q79 PolarHBondContact OH-OE1 3.38Å; Y36-Q79 VanDerWaalsContact OH-OE1 3.08Å; Y36-F81 AromaticContact CD1-CE2 3.67Å; Y36-F81 HydrophobicContact CD1-CE2 3.67Å; Y36-F81 HydrophobicContact CD1-CZ 4.04Å; Y36-F81 AromaticContact CE1-CE2 3.52Å; Y36-F81 HydrophobicContact CE1-CE2 3.52Å; Y36-F81 AromaticContact CE1-CZ 3.59Å; Y36-F81 HydrophobicContact CE1-CZ 3.59Å; Y36-F81 HydrophobicContact CE2-CZ 4.15Å; Y36-F81 HydrophobicContact CG-CE2 4.35Å; Y36-F81 HydrophobicContact CG-CZ 4.49Å; Y36-F81 AromaticContact CZ-CZ 3.63Å; Y36-F87 HydrophobicContact CD2-CE1 4.11Å; Y36-F87 HydrophobicContact CD2-CZ 4.31Å; Y36-F87 HydrophobicContact CG-CD1 4.43Å; Y36-F87 HydrophobicContact CG-CE1 4.28Å; Y36-F87 HydrophobicContact CG-CE2 4.39Å; Y36-F87 HydrophobicContact CG-CZ 4.24Å; Y36-F87 WeakPolarHBondContact O-CB 3.4Å; Y36-I88 VanDerWaalsContact O-CB 3.25Å; Y36-I88 WeakPolarHBondContact O-CB 3.44Å; Y36-I88 PolarHBondContact O-N 2.95Å
37V98.4Very high96.7Very high4 Ų470.2 Ų70.22%0.02435%0.354CS..EExtended strand (participates in β ladder)trans-115.7125.2173171.50000109.8A67 S68 L70 I88 L90V37-A67 CarbonylContact O-C 3.5Å; V37-A67 WeakPolarHBondContact O-CA 3.17Å; V37-A67 WeakPolarHBondContact O-CB 3.43Å; V37-S68 PolarHBondContact N-O 2.86Å; V37-S68 PolarHBondContact O-N 2.7Å; V37-L70 HydrophobicContact CG2-CD1 3.85Å; V37-L70 HydrophobicContact CG2-CD2 3.61Å; V37-L70 HydrophobicContact CG2-CG 3.78Å; V37-I88 VanDerWaalsContact CA-O 3.3Å; V37-I88 WeakPolarHBondContact CA-O 3.46Å; V37-I88 HydrophobicContact CG2-CB 3.93Å; V37-I88 HydrophobicContact CG2-CG2 3.99Å; V37-L90 HydrophobicContact CG1-CD1 3.9Å; V37-L90 HydrophobicContact CG1-CG 3.79Å; V37-L90 HydrophobicContact CG2-CD1 4.13Å; V37-L90 HydrophobicContact CG2-CD2 4.39Å; V37-L90 HydrophobicContact CG2-CG 4.08Å
38W98.6Very high96.8Very high29 Ų2971 Ų7111%0.1136%0.356CS..EExtended strand (participates in β ladder)trans-68.6131.4168.2-77.5128.5000110.8W56 G65 A67 F81 N85 F87 I88 V89W38-W56 HydrophobicContact CB-CH2 3.82Å; W38-W56 HydrophobicContact CB-CZ3 3.74Å; W38-W56 HydrophobicContact CD2-CZ3 4.11Å; W38-W56 HydrophobicContact CE3-CZ3 4.26Å; W38-W56 HydrophobicContact CG-CH2 4.44Å; W38-W56 AromaticContact CG-CZ3 3.94Å; W38-W56 HydrophobicContact CG-CZ3 3.94Å; W38-G65 VanDerWaalsContact CZ3-C 3.46Å; W38-G65 WeakPolarHBondContact CZ3-O 3.21Å; W38-A67 HydrophobicContact CD2-CB 4.38Å; W38-A67 HydrophobicContact CE3-CB 3.71Å; W38-A67 HydrophobicContact CZ3-CB 3.91Å; W38-F81 HydrophobicContact CH2-CB 3.53Å; W38-F81 HydrophobicContact CZ2-CB 4.47Å; W38-F81 HydrophobicContact CZ3-CB 3.99Å; W38-N85 HydrophobicContact CZ2-CB 4.01Å; W38-N85 PolarHBondContact NE1-O 2.71Å; W38-F87 HydrophobicContact CD2-CB 4.48Å; W38-F87 AromaticContact CD2-CD2 3.88Å; W38-F87 HydrophobicContact CD2-CD2 3.88Å; W38-F87 AromaticContact CE2-CD2 3.47Å; W38-F87 VanDerWaalsContact CE2-CD2 3.47Å; W38-F87 HydrophobicContact CE3-CD2 4.3Å; W38-F87 HydrophobicContact CG-CB 4.2Å; W38-F87 HydrophobicContact CG-CD2 4.45Å; W38-F87 HydrophobicContact CH2-CD2 4.02Å; W38-F87 HydrophobicContact CH2-CE2 4.02Å; W38-F87 AromaticContact CZ2-CD2 3.58Å; W38-F87 HydrophobicContact CZ2-CD2 3.58Å; W38-F87 AromaticContact CZ2-CE2 3.89Å; W38-F87 HydrophobicContact CZ2-CE2 3.89Å; W38-F87 HydrophobicContact CZ2-CG 4.5Å; W38-F87 HydrophobicContact CZ3-CD2 4.32Å; W38-F87 HydrophobicContact CZ3-CE2 4.47Å; W38-F87 AromaticContact NE1-CD2 3.81Å; W38-I88 PolarHBondContact N-O 2.83Å; W38-V89 HydrophobicContact CB-CG2 4.5Å
39H98.1Very high96.8Very high32 Ų3271.4 Ų71.415%0.14836%0.363CS..  trans-138.1-25.4174.964.493.3000114.6S41 M66 L76 G77H39-S41 PolarHBondContact CE1-O 2.9Å; H39-S41 PolarHBondContact ND1-N 3.36Å; H39-S41 PolarHBondContact ND1-O 3.27Å; H39-S41 PolarHBondContact ND1-OG 3.25Å; H39-S41 PolarHBondContact O-N 2.85Å; H39-S41 VanDerWaalsContact O-N 3.13Å; H39-S41 PolarHBondContact O-OG 2.79Å; H39-M66 PolarHBondContact CD2-O 3.23Å; H39-M66 VanDerWaalsContact CE1-CB 3.44Å; H39-M66 WeakPolarHBondContact CE1-CB 3.45Å; H39-M66 PolarHBondContact N-O 3.36Å; H39-L76 HydrophobicContact CB-CD2 4.02Å; H39-G77 PolarHBondContact CE1-O 3.17Å; H39-G77 PolarHBondContact NE2-O 3.09Å
40G98.3Very high96.8Very high4 Ų471.8 Ų71.84%0.04138%0.378CS..  trans63.121.2172.900000115.4K48 K51 M66G40-K48 PolarHBondContact O-N 3.03Å; G40-K51 WeakPolarHBondContact CA-O 3.41Å; G40-M66 PolarHBondContact N-O 2.85Å
41S97.3Very high96.9Very high12 Ų1267.7 Ų67.78%0.08435%0.353CS..BIsolated β-bridgetrans-131.1163.1-171.355.10000112.7H39 K46 L76 Q78H39-S41 PolarHBondContact CE1-O 2.9Å; H39-S41 PolarHBondContact ND1-N 3.36Å; H39-S41 PolarHBondContact ND1-O 3.27Å; H39-S41 PolarHBondContact ND1-OG 3.25Å; H39-S41 PolarHBondContact O-N 2.85Å; H39-S41 VanDerWaalsContact O-N 3.13Å; H39-S41 PolarHBondContact O-OG 2.79Å; S41-K46 CarbonylContact C-O 3.57Å; S41-K46 WeakPolarHBondContact CA-O 3.17Å; S41-K46 WeakPolarHBondContact CB-O 3.42Å; S41-L76 VanDerWaalsContact OG-CD2 3.27Å; S41-L76 WeakPolarHBondContact OG-CD2 3.25Å; S41-Q78 PolarHBondContact O-NE2 2.87Å
42E96.1Very high96.9Very high83 Ų8365.5 Ų65.539%0.38834%0.337SS..  trans-76.4171.4168-63.3171.5-171.500110.3R44 G45 K46 K48E42-R44 PolarHBondContact O-N 2.84Å; E42-G45 PolarHBondContact O-N 3.1Å; E42-K46 PolarHBondContact N-O 3.28Å; E42-K48 HydrophobicContact CG-CB 4.04Å; E42-K48 HydrophobicContact CG-CG 4.14Å
43T94.8Very high96.9Very high51 Ų5163 Ų6331%0.31333%0.328SS..THydrogen-bonded Turntrans-59.1-18.9-178.553.30000114.6G8 Q78G8-T43 VanDerWaalsContact C-CB 3.5Å; G8-T43 WeakPolarHBondContact O-CB 3.42Å; G8-T43 WeakPolarHBondContact O-CG2 3.14Å; T43-Q78 HydrophobicContact CG2-CG 3.67Å
44R93Very high97Very high181 Ų18162 Ų6268%0.68332%0.317SS*.THydrogen-bonded Turntrans-101.716.2176.1-64-175.3174.9174.1-0.4113.7E42 K46E42-R44 PolarHBondContact O-N 2.84Å; R44-K46 PolarHBondContact O-N 3.42Å
45G93.6Very high97Very high34 Ų3461.5 Ų61.535%0.35132%0.315SS..SBendtrans770176.300000115.5E42E42-G45 PolarHBondContact O-N 3.1Å
46K94.8Very high97Very high143 Ų14366.4 Ų66.462%0.62233%0.333SS*.PPolyproline II helixtrans-70.8142.6172.2-67.5-174.6178.8-177.90110.2S41 E42 R44 K48S41-K46 CarbonylContact C-O 3.57Å; S41-K46 WeakPolarHBondContact CA-O 3.17Å; S41-K46 WeakPolarHBondContact CB-O 3.42Å; E42-K46 PolarHBondContact N-O 3.28Å; R44-K46 PolarHBondContact O-N 3.42Å; K46-K48 PolarHBondContact O-N 2.93Å
47R97Very high97Very high181 Ų18174 Ų7468%0.68336%0.362SS*.BIsolated β-bridgetrans-57.6126.6174.8-179.6-178.967.6176.70.1110.5F52R47-F52 HydrophobicContact CG-CD1 4.11Å; R47-F52 HydrophobicContact CG-CD2 4.36Å; R47-F52 HydrophobicContact CG-CE1 4.31Å; R47-F52 HydrophobicContact CG-CG 4.17Å
48K97.4Very high97Very high58 Ų5875.3 Ų75.325%0.25237%0.371SS..PPolyproline II helixtrans-82.6121.4176.8-168.3175.2-165.8164.30110G40 E42 K46 G50 K51 F52 M66G40-K48 PolarHBondContact O-N 3.03Å; E42-K48 HydrophobicContact CG-CB 4.04Å; E42-K48 HydrophobicContact CG-CG 4.14Å; K46-K48 PolarHBondContact O-N 2.93Å; K48-G50 PolarHBondContact O-N 3Å; K48-K51 HydrophobicContact CB-CB 4.1Å; K48-K51 HydrophobicContact CD-CB 3.91Å; K48-K51 HydrophobicContact CD-CG 4.01Å; K48-K51 HydrophobicContact CG-CB 3.94Å; K48-K51 HydrophobicContact CG-CG 4.11Å; K48-K51 PolarHBondContact O-N 3.05Å; K48-F52 WeakPolarHBondContact O-CD1 3.45Å; K48-M66 HydrophobicContact CB-CG 4.24Å; K48-M66 HydrophobicContact CD-CE 4.25Å; K48-M66 HydrophobicContact CD-CG 3.3Å; K48-M66 HydrophobicContact CD-SD 3.63Å; K48-M66 HydrophobicContact CG-CG 4.35Å; K48-M66 PolarHBondContact NZ-SD 3.49Å
49S96.8Very high96.9Very high110 Ų11078.5 Ų78.577%0.76940%0.398SS*.THydrogen-bonded Turntrans-57.9134.1-176.8-168.20000112K51S49-K51 WeakPolarHBondContact O-CG 3.48Å; S49-K51 PolarHBondContact O-N 3.25Å
50G97.3Very high96.9Very high53 Ų5379.2 Ų79.255%0.54641%0.406SS..THydrogen-bonded Turntrans66.9-2.7-179.300000116.8K48K48-G50 PolarHBondContact O-N 3Å
51K98.3Very high96.9Very high64 Ų6482 Ų8228%0.27843%0.429SS..  trans-119.447.1-169.7-59.5-61.8-178.4177.80113.5G40 K48 S49 S64 G65 M66 D80G40-K51 WeakPolarHBondContact CA-O 3.41Å; K48-K51 HydrophobicContact CB-CB 4.1Å; K48-K51 HydrophobicContact CD-CB 3.91Å; K48-K51 HydrophobicContact CD-CG 4.01Å; K48-K51 HydrophobicContact CG-CB 3.94Å; K48-K51 HydrophobicContact CG-CG 4.11Å; K48-K51 PolarHBondContact O-N 3.05Å; S49-K51 WeakPolarHBondContact O-CG 3.48Å; S49-K51 PolarHBondContact O-N 3.25Å; K51-S64 CarbonylContact C-O 3.57Å; K51-S64 WeakPolarHBondContact CA-O 3.27Å; K51-S64 WeakPolarHBondContact CD-OG 3.21Å; K51-S64 PolarHBondContact NZ-OG 2.61Å; K51-G65 CarbonylContact O-C 3.4Å; K51-G65 WeakPolarHBondContact O-CA 3.25Å; K51-M66 HydrophobicContact CB-CE 3.59Å; K51-M66 HydrophobicContact CB-CG 3.91Å; K51-M66 HydrophobicContact CB-SD 4.5Å; K51-M66 HydrophobicContact CD-CE 3.68Å; K51-M66 HydrophobicContact CG-CE 3.66Å; K51-M66 PolarHBondContact O-N 2.98Å; K51-D80 WeakPolarHBondContact CE-OD2 3.3Å; K51-D80 IonicContact NZ-OD1 3.6Å; K51-D80 IonicContact NZ-OD2 3.58Å; K51-D80 PolarHBondContact NZ-OD2 3.49Å
52F98.5Very high96.9Very high32 Ų3290.7 Ų90.714%0.1447%0.465CS..BIsolated β-bridgetrans-148.836.1-176.760.9-70.8000110.6R47 K48 D54 A55 W56 S64R47-F52 HydrophobicContact CG-CD1 4.11Å; R47-F52 HydrophobicContact CG-CD2 4.36Å; R47-F52 HydrophobicContact CG-CE1 4.31Å; R47-F52 HydrophobicContact CG-CG 4.17Å; K48-F52 WeakPolarHBondContact O-CD1 3.45Å; F52-D54 VanDerWaalsContact C-N 3.29Å; F52-D54 PolarHBondContact O-N 2.96Å; F52-D54 VanDerWaalsContact O-N 3.13Å; F52-A55 HydrophobicContact CD2-CB 4.3Å; F52-A55 HydrophobicContact CE2-CB 3.96Å; F52-A55 PolarHBondContact O-N 3.01Å; F52-A55 VanDerWaalsContact O-N 3.07Å; F52-W56 HydrophobicContact CB-CZ2 4.46Å; F52-W56 PolarHBondContact O-N 2.72Å; F52-S64 PolarHBondContact N-O 3.29Å
53C98.4Very high97Very high6 Ų691.8 Ų91.84%0.04147%0.469CS..Hα-helixtrans48.844.7172.8-65.10000115.2W56 R57 S58 S64 C83C53-W56 HydrophobicContact CB-CE3 4.21Å; C53-W56 CarbonylContact O-C 3.51Å; C53-W56 WeakPolarHBondContact O-CA 3.32Å; C53-W56 PolarHBondContact O-N 3.03Å; C53-W56 VanDerWaalsContact O-N 3.08Å; C53-R57 PolarHBondContact O-N 2.84Å; C53-S58 PolarHBondContact O-N 3.48Å; C53-S58 VanDerWaalsContact O-N 3.13Å; C53-S64 PolarHBondContact N-O 2.82Å; C53-C83 WeakPolarHBondContact CA-SG 3.23Å; C53-C83 HydrophobicContact CB-CB 3.82Å; C53-C83 WeakPolarHBondContact CB-SG 3.24Å; C53-C83 WeakPolarHBondContact SG-CB 3.38Å; C53-C83 CovalentContact SG-SG 2.04Å; C53-C83 PolarHBondContact SG-SG 3.47Å
54D97.4Very high97.2Very high95 Ų9590.3 Ų90.351%0.50846%0.46SS..Hα-helixtrans53.256.5-176.8-165.121.6000112.6F52 W56 R57F52-D54 VanDerWaalsContact C-N 3.29Å; F52-D54 PolarHBondContact O-N 2.96Å; F52-D54 VanDerWaalsContact O-N 3.13Å; D54-W56 VanDerWaalsContact C-N 3.27Å; D54-W56 PolarHBondContact O-N 3.05Å; D54-R57 WeakPolarHBondContact O-CB 3.23Å; D54-R57 PolarHBondContact O-N 2.49Å
55A97.6Very high97.4Very high38 Ų3881.7 Ų81.731%0.31443%0.428SS..Hα-helixtrans5838-171.500000113.4F52 R57F52-A55 HydrophobicContact CD2-CB 4.3Å; F52-A55 HydrophobicContact CE2-CB 3.96Å; F52-A55 PolarHBondContact O-N 3.01Å; F52-A55 VanDerWaalsContact O-N 3.07Å; A55-R57 PolarHBondContact O-N 3.03Å
56W97.6Very high97.7Very high133 Ų13380.2 Ų80.250%0.50441%0.412SS..Hα-helixtrans6226.4-177.8-46103.7000114.1W38 F52 C53 D54W38-W56 HydrophobicContact CB-CH2 3.82Å; W38-W56 HydrophobicContact CB-CZ3 3.74Å; W38-W56 HydrophobicContact CD2-CZ3 4.11Å; W38-W56 HydrophobicContact CE3-CZ3 4.26Å; W38-W56 HydrophobicContact CG-CH2 4.44Å; W38-W56 AromaticContact CG-CZ3 3.94Å; W38-W56 HydrophobicContact CG-CZ3 3.94Å; F52-W56 HydrophobicContact CB-CZ2 4.46Å; F52-W56 PolarHBondContact O-N 2.72Å; C53-W56 HydrophobicContact CB-CE3 4.21Å; C53-W56 CarbonylContact O-C 3.51Å; C53-W56 WeakPolarHBondContact O-CA 3.32Å; C53-W56 PolarHBondContact O-N 3.03Å; C53-W56 VanDerWaalsContact O-N 3.08Å; D54-W56 VanDerWaalsContact C-N 3.27Å; D54-W56 PolarHBondContact O-N 3.05Å
57R97.9Very high97.8Very high211 Ų21173.4 Ų73.480%0.79638%0.382SS*.THydrogen-bonded Turntrans-1060.6-178.7-59.9-174.4172.3116.5-2.3114.2C53 D54 A55C53-R57 PolarHBondContact O-N 2.84Å; D54-R57 WeakPolarHBondContact O-CB 3.23Å; D54-R57 PolarHBondContact O-N 2.49Å; A55-R57 PolarHBondContact O-N 3.03Å
58S97.4Very high97.9Very high32 Ų3264.9 Ų64.922%0.22435%0.35CS..  trans-125.1131.1180-166.70000111.8C53 S60 C83C53-S58 PolarHBondContact O-N 3.48Å; C53-S58 VanDerWaalsContact O-N 3.13Å; S58-S60 VanDerWaalsContact OG-CB 3.3Å; S58-S60 WeakPolarHBondContact OG-CB 3.36Å; S58-S60 PolarHBondContact OG-N 3.29Å; S58-C83 WeakPolarHBondContact O-CB 3.35Å
59S97.5Very high97.9Very high96 Ų9662.2 Ų62.267%0.67134%0.339SS*.  trans-99.715.3164.756.80000112N84S59-N84 WeakPolarHBondContact O-CA 2.95Å; S59-N84 VanDerWaalsContact O-CB 3.25Å; S59-N84 WeakPolarHBondContact O-CB 3.27Å; S59-N84 PolarHBondContact O-N 3.34Å
60S98.1Very high97.9Very high46 Ų4657 Ų5732%0.32230%0.302SS..  trans-71.9134.6-178-175.30000111.5S58 K62 K63S58-S60 VanDerWaalsContact OG-CB 3.3Å; S58-S60 WeakPolarHBondContact OG-CB 3.36Å; S58-S60 PolarHBondContact OG-N 3.29Å; S60-K62 PolarHBondContact O-N 3.03Å; S60-K62 VanDerWaalsContact O-N 3.11Å; S60-K62 PolarHBondContact OG-N 3.38Å; S60-K63 PolarHBondContact O-N 2.92Å
61A98Very high97.8Very high62 Ų6260.6 Ų60.651%0.51231%0.305SS..THydrogen-bonded Turntrans-62.3-14.5169.800000113.6K63A61-K63 VanDerWaalsContact C-N 3.35Å
62K97.7Very high97.6Very high196 Ų19662.3 Ų62.385%0.85232%0.317SS*.THydrogen-bonded Turntrans-82.8-11.5176-60.2-177.8179.9-179.70113.3S60S60-K62 PolarHBondContact O-N 3.03Å; S60-K62 VanDerWaalsContact O-N 3.11Å; S60-K62 PolarHBondContact OG-N 3.38Å
63K97.9Very high97.4Very high106 Ų10663 Ų6346%0.46132%0.32SS..SBendtrans-107.8157.2174.7-62.1-64.5-172.7173.40108.3S60 A61 P82 C83S60-K63 PolarHBondContact O-N 2.92Å; A61-K63 VanDerWaalsContact C-N 3.35Å; K63-P82 WeakPolarHBondContact O-CA 3.1Å; K63-C83 HydrophobicContact CB-CB 4.4Å; K63-C83 PolarHBondContact O-N 3.13Å; K63-C83 PolarHBondContact O-SG 3.29Å; K63-C83 VanDerWaalsContact O-SG 3.39Å
64S98.2Very high97.3Very high20 Ų2062.9 Ų62.914%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-135.6159.8179.183.20000112.9K51 F52 C53 D80 F81 C83K51-S64 CarbonylContact C-O 3.57Å; K51-S64 WeakPolarHBondContact CA-O 3.27Å; K51-S64 WeakPolarHBondContact CD-OG 3.21Å; K51-S64 PolarHBondContact NZ-OG 2.61Å; F52-S64 PolarHBondContact N-O 3.29Å; C53-S64 PolarHBondContact N-O 2.82Å; S64-D80 WeakPolarHBondContact CB-OD1 3.41Å; S64-D80 PolarHBondContact OG-OD1 3.3Å; S64-D80 PolarHBondContact OG-OD2 3.23Å; S64-F81 CarbonylContact C-O 3.56Å; S64-F81 WeakPolarHBondContact CA-O 3.49Å; S64-F81 VanDerWaalsContact CB-O 3.31Å; S64-F81 WeakPolarHBondContact CB-O 3.36Å; S64-C83 WeakPolarHBondContact CA-SG 3.47Å; S64-C83 PolarHBondContact N-SG 2.73Å; S64-C83 VanDerWaalsContact N-SG 3.41Å
65G98.6Very high97.2Very high0 Ų060 Ų600%030%0.304CS..EExtended strand (participates in β ladder)trans-131.5156.4179.900000110.7W38 K51 F81W38-G65 VanDerWaalsContact CZ3-C 3.46Å; W38-G65 WeakPolarHBondContact CZ3-O 3.21Å; K51-G65 CarbonylContact O-C 3.4Å; K51-G65 WeakPolarHBondContact O-CA 3.25Å; G65-F81 PolarHBondContact N-O 3.07Å; G65-F81 PolarHBondContact O-N 3.13Å
66M98.6Very high97.2Very high3 Ų358.8 Ų58.82%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-83.9129.7165.4-70.2-55.997.900111.5H39 G40 K48 K51 Q79 D80H39-M66 PolarHBondContact CD2-O 3.23Å; H39-M66 VanDerWaalsContact CE1-CB 3.44Å; H39-M66 WeakPolarHBondContact CE1-CB 3.45Å; H39-M66 PolarHBondContact N-O 3.36Å; G40-M66 PolarHBondContact N-O 2.85Å; K48-M66 HydrophobicContact CB-CG 4.24Å; K48-M66 HydrophobicContact CD-CE 4.25Å; K48-M66 HydrophobicContact CD-CG 3.3Å; K48-M66 HydrophobicContact CD-SD 3.63Å; K48-M66 HydrophobicContact CG-CG 4.35Å; K48-M66 PolarHBondContact NZ-SD 3.49Å; K51-M66 HydrophobicContact CB-CE 3.59Å; K51-M66 HydrophobicContact CB-CG 3.91Å; K51-M66 HydrophobicContact CB-SD 4.5Å; K51-M66 HydrophobicContact CD-CE 3.68Å; K51-M66 HydrophobicContact CG-CE 3.66Å; K51-M66 PolarHBondContact O-N 2.98Å; M66-Q79 WeakPolarHBondContact CA-O 3.41Å; M66-D80 HydrophobicContact CE-CB 3.53Å; M66-D80 VanDerWaalsContact CE-CG 3.41Å; M66-D80 WeakPolarHBondContact CE-OD1 3.24Å
67A98.6Very high97.2Very high0 Ų053.3 Ų53.30%028%0.277CS..EExtended strand (participates in β ladder)trans-127160.4168.900000111.4Y36 V37 W38 Q79 F81 F87Y36-A67 HydrophobicContact CD1-CB 4.36Å; V37-A67 CarbonylContact O-C 3.5Å; V37-A67 WeakPolarHBondContact O-CA 3.17Å; V37-A67 WeakPolarHBondContact O-CB 3.43Å; W38-A67 HydrophobicContact CD2-CB 4.38Å; W38-A67 HydrophobicContact CE3-CB 3.71Å; W38-A67 HydrophobicContact CZ3-CB 3.91Å; A67-Q79 PolarHBondContact N-O 3.29Å; A67-Q79 WeakPolarHBondContact O-CB 3.41Å; A67-Q79 PolarHBondContact O-N 3.38Å; A67-F81 HydrophobicContact CB-CD2 3.85Å; A67-F81 HydrophobicContact CB-CE2 4.3Å; A67-F87 HydrophobicContact CB-CD2 3.95Å; A67-F87 HydrophobicContact CB-CE2 4.13Å
68S98.2Very high97.1Very high1 Ų146.6 Ų46.61%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-120.3139.3174.7-170.20000110.8Y36 V37 S74 G77Y36-S68 CarbonylContact C-O 3.52Å; Y36-S68 VanDerWaalsContact CA-O 3.24Å; Y36-S68 WeakPolarHBondContact CA-O 3.41Å; Y36-S68 WeakPolarHBondContact CD1-O 3.3Å; V37-S68 PolarHBondContact N-O 2.86Å; V37-S68 PolarHBondContact O-N 2.7Å; S68-S74 WeakPolarHBondContact CB-O 3.14Å; S68-S74 VanDerWaalsContact OG-C 3.28Å; S68-S74 PolarHBondContact OG-O 3.45Å; S68-G77 VanDerWaalsContact OG-CA 3.3Å; S68-G77 WeakPolarHBondContact OG-CA 3.18Å; S68-G77 PolarHBondContact OG-N 2.7Å
69S97.3Very high97.1Very high2 Ų247.7 Ų47.71%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-77125.9171.3177.80000109.7E71 N72S69-E71 PolarHBondContact O-N 2.9Å; S69-E71 WeakPolarHBondContact OG-CB 3.38Å; S69-E71 PolarHBondContact OG-N 3.04Å; S69-N72 PolarHBondContact O-N 3.38Å
70L96.8Very high97.2Very high0 Ų046.8 Ų46.80%024%0.244CC..G310 helixtrans-69.6-22.2173.1-67.7-178.7000112.4F12 I18 V26 M27 K35 V37 N72 F73 L75 I88F12-L70 HydrophobicContact CE1-CD2 4.12Å; F12-L70 HydrophobicContact CZ-CD2 4.13Å; I18-L70 HydrophobicContact CD1-CD1 4.5Å; I18-L70 HydrophobicContact CD1-CD2 3.96Å; V26-L70 HydrophobicContact CG2-CD1 4.03Å; M27-L70 HydrophobicContact CE-CB 3.84Å; M27-L70 HydrophobicContact SD-CB 3.59Å; M27-L70 VanDerWaalsContact SD-CB 3.59Å; M27-L70 HydrophobicContact SD-CD1 3.64Å; M27-L70 HydrophobicContact SD-CG 4.13Å; K35-L70 HydrophobicContact CB-CB 4.4Å; K35-L70 WeakPolarHBondContact O-CB 3.4Å; K35-L70 PolarHBondContact O-N 3.06Å; V37-L70 HydrophobicContact CG2-CD1 3.85Å; V37-L70 HydrophobicContact CG2-CD2 3.61Å; V37-L70 HydrophobicContact CG2-CG 3.78Å; L70-N72 PolarHBondContact O-N 3.15Å; L70-F73 WeakPolarHBondContact O-CA 3.2Å; L70-F73 PolarHBondContact O-N 3.08Å; L70-L75 HydrophobicContact CD2-CD2 3.77Å; L70-I88 HydrophobicContact CD1-CD1 3.54Å
71E94.9Very high97.2Very high130 Ų13046.5 Ų46.561%0.60724%0.237SC*.G310 helixtrans-65.2-25.2174.4-58.7177.616200112K35 S69 F73K35-E71 HydrophobicContact CB-CG 4.38Å; S69-E71 PolarHBondContact O-N 2.9Å; S69-E71 WeakPolarHBondContact OG-CB 3.38Å; S69-E71 PolarHBondContact OG-N 3.04Å; E71-F73 VanDerWaalsContact O-CD2 3.27Å; E71-F73 WeakPolarHBondContact O-CD2 3.44Å; E71-F73 WeakPolarHBondContact O-CE2 3.25Å
72N95.1Very high97.2Very high99 Ų9946.1 Ų46.153%0.52923%0.229SC..G310 helixtrans-85.20.9173.6-67.3-13.7000112.7S69 L70 S74S69-N72 PolarHBondContact O-N 3.38Å; L70-N72 PolarHBondContact O-N 3.15Å; N72-S74 PolarHBondContact O-N 2.84Å
73F94.8Very high97.2Very high46 Ų4637.3 Ų37.320%0.20219%0.192CC..THydrogen-bonded Turntrans53.838.8-178.5-49.6-80.2000113.1F11 F12 R14 M27 L70 E71F11-F73 CarbonylContact C-O 3.49Å; F11-F73 VanDerWaalsContact CA-O 3.24Å; F11-F73 WeakPolarHBondContact CA-O 3.38Å; F12-F73 HydrophobicContact CD1-CB 4.45Å; F12-F73 VanDerWaalsContact CD1-O 3.23Å; F12-F73 WeakPolarHBondContact CD1-O 3.47Å; F12-F73 VanDerWaalsContact CE1-CA 3.42Å; F12-F73 HydrophobicContact CE1-CB 4.23Å; F12-F73 HydrophobicContact CE2-CD1 4.08Å; F12-F73 HydrophobicContact CZ-CB 4.27Å; F12-F73 HydrophobicContact CZ-CD1 4.15Å; F12-F73 PolarHBondContact N-O 3Å; R14-F73 HydrophobicContact CB-CD1 4.02Å; R14-F73 HydrophobicContact CB-CE1 3.73Å; R14-F73 HydrophobicContact CB-CE2 4.34Å; R14-F73 HydrophobicContact CB-CG 4.42Å; R14-F73 HydrophobicContact CB-CZ 3.9Å; R14-F73 HydrophobicContact CG-CD1 3.82Å; R14-F73 HydrophobicContact CG-CD2 3.62Å; R14-F73 HydrophobicContact CG-CE1 3.8Å; R14-F73 HydrophobicContact CG-CE2 3.61Å; R14-F73 HydrophobicContact CG-CG 3.71Å; R14-F73 HydrophobicContact CG-CZ 3.69Å; R14-F73 VanDerWaalsContact NE-CE2 3.31Å; M27-F73 HydrophobicContact CE-CE1 4.41Å; L70-F73 WeakPolarHBondContact O-CA 3.2Å; L70-F73 PolarHBondContact O-N 3.08Å; E71-F73 VanDerWaalsContact O-CD2 3.27Å; E71-F73 WeakPolarHBondContact O-CD2 3.44Å; E71-F73 WeakPolarHBondContact O-CE2 3.25Å
74S95.3Very high97.3Very high4 Ų436.6 Ų36.63%0.02819%0.193CC..BIsolated β-bridgetrans-128.1136.8-179.2169.60000109.1G9 S68 N72 G77G9-S74 PolarHBondContact O-OG 3.01Å; S68-S74 WeakPolarHBondContact CB-O 3.14Å; S68-S74 VanDerWaalsContact OG-C 3.28Å; S68-S74 PolarHBondContact OG-O 3.45Å; N72-S74 PolarHBondContact O-N 2.84Å; S74-G77 PolarHBondContact OG-N 3.08Å
75L96.3Very high97.3Very high36 Ų3638.3 Ų38.319%0.18820%0.2CC..SBendtrans-95.2-15.6175.7-59.9180000113.2I4 G9 A10 F12 I18 L70 L90I4-L75 HydrophobicContact CD1-CD1 4.29Å; G9-L75 PolarHBondContact O-N 2.97Å; A10-L75 HydrophobicContact CB-CB 3.84Å; A10-L75 PolarHBondContact O-N 3.13Å; F12-L75 HydrophobicContact CD1-CD2 4.07Å; F12-L75 HydrophobicContact CD1-CG 3.93Å; F12-L75 HydrophobicContact CE1-CD2 3.85Å; F12-L75 HydrophobicContact CE1-CG 4.2Å; I18-L75 HydrophobicContact CD1-CD2 4.27Å; L70-L75 HydrophobicContact CD2-CD2 3.77Å; L75-L90 HydrophobicContact CD1-CD1 4.37Å; L75-L90 HydrophobicContact CD2-CD1 3.76Å
76L96.9Very high97.2Very high12 Ų1243.6 Ų43.66%0.06324%0.238CC..SBendtrans-126.126-178.4-59.6175.2000113F5 G9 A10 H39 S41 Q78F5-L76 HydrophobicContact CD1-CD1 3.5Å; F5-L76 HydrophobicContact CE1-CD1 3.58Å; G9-L76 PolarHBondContact O-N 2.97Å; A10-L76 HydrophobicContact CB-CB 4.13Å; A10-L76 HydrophobicContact CB-CD1 3.71Å; A10-L76 HydrophobicContact CB-CG 3.64Å; H39-L76 HydrophobicContact CB-CD2 4.02Å; S41-L76 VanDerWaalsContact OG-CD2 3.27Å; S41-L76 WeakPolarHBondContact OG-CD2 3.25Å; L76-Q78 PolarHBondContact O-NE2 3.21Å
77G96.4Very high97.2Very high17 Ų1744.4 Ų44.418%0.17524%0.241CC..  trans-55.9149.3168.600000110.9H39 S68 S74 Q79H39-G77 PolarHBondContact CE1-O 3.17Å; H39-G77 PolarHBondContact NE2-O 3.09Å; S68-G77 VanDerWaalsContact OG-CA 3.3Å; S68-G77 WeakPolarHBondContact OG-CA 3.18Å; S68-G77 PolarHBondContact OG-N 2.7Å; S74-G77 PolarHBondContact OG-N 3.08Å; G77-Q79 PolarHBondContact O-N 2.95Å
78Q97.2Very high97.2Very high70 Ų7044.7 Ų44.733%0.32724%0.242SC..  trans-105.773.4-166.7-63.9-66.2-61.400111.5S41 T43 L76S41-Q78 PolarHBondContact O-NE2 2.87Å; T43-Q78 HydrophobicContact CG2-CG 3.67Å; L76-Q78 PolarHBondContact O-NE2 3.21Å
79Q98Very high97.2Very high55 Ų5549.6 Ų49.626%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-111.1131.3175.6-59.3-17541.300111Y36 M66 A67 G77 F81Y36-Q79 PolarHBondContact OH-OE1 3.38Å; Y36-Q79 VanDerWaalsContact OH-OE1 3.08Å; M66-Q79 WeakPolarHBondContact CA-O 3.41Å; A67-Q79 PolarHBondContact N-O 3.29Å; A67-Q79 WeakPolarHBondContact O-CB 3.41Å; A67-Q79 PolarHBondContact O-N 3.38Å; G77-Q79 PolarHBondContact O-N 2.95Å; Q79-F81 HydrophobicContact CB-CD2 4.1Å; Q79-F81 HydrophobicContact CB-CE2 3.54Å; Q79-F81 HydrophobicContact CB-CZ 4.44Å
80D97.9Very high97.2Very high78 Ų7852.7 Ų52.742%0.41729%0.288SS..EExtended strand (participates in β ladder)trans-93.5125.3-179.1-160.19.3000110.3K51 S64 M66K51-D80 WeakPolarHBondContact CE-OD2 3.3Å; K51-D80 IonicContact NZ-OD1 3.6Å; K51-D80 IonicContact NZ-OD2 3.58Å; K51-D80 PolarHBondContact NZ-OD2 3.49Å; S64-D80 WeakPolarHBondContact CB-OD1 3.41Å; S64-D80 PolarHBondContact OG-OD1 3.3Å; S64-D80 PolarHBondContact OG-OD2 3.23Å; M66-D80 HydrophobicContact CE-CB 3.53Å; M66-D80 VanDerWaalsContact CE-CG 3.41Å; M66-D80 WeakPolarHBondContact CE-OD1 3.24Å
81F98.6Very high97.3Very high40 Ų4057.3 Ų57.318%0.17532%0.32CS..EExtended strand (participates in β ladder)trans-131.2143178.8-74.9-84.7000111.5Y36 W38 S64 G65 A67 Q79 F87Y36-F81 AromaticContact CD1-CE2 3.67Å; Y36-F81 HydrophobicContact CD1-CE2 3.67Å; Y36-F81 HydrophobicContact CD1-CZ 4.04Å; Y36-F81 AromaticContact CE1-CE2 3.52Å; Y36-F81 HydrophobicContact CE1-CE2 3.52Å; Y36-F81 AromaticContact CE1-CZ 3.59Å; Y36-F81 HydrophobicContact CE1-CZ 3.59Å; Y36-F81 HydrophobicContact CE2-CZ 4.15Å; Y36-F81 HydrophobicContact CG-CE2 4.35Å; Y36-F81 HydrophobicContact CG-CZ 4.49Å; Y36-F81 AromaticContact CZ-CZ 3.63Å; W38-F81 HydrophobicContact CH2-CB 3.53Å; W38-F81 HydrophobicContact CZ2-CB 4.47Å; W38-F81 HydrophobicContact CZ3-CB 3.99Å; S64-F81 CarbonylContact C-O 3.56Å; S64-F81 WeakPolarHBondContact CA-O 3.49Å; S64-F81 VanDerWaalsContact CB-O 3.31Å; S64-F81 WeakPolarHBondContact CB-O 3.36Å; G65-F81 PolarHBondContact N-O 3.07Å; G65-F81 PolarHBondContact O-N 3.13Å; A67-F81 HydrophobicContact CB-CD2 3.85Å; A67-F81 HydrophobicContact CB-CE2 4.3Å; Q79-F81 HydrophobicContact CB-CD2 4.1Å; Q79-F81 HydrophobicContact CB-CE2 3.54Å; Q79-F81 HydrophobicContact CB-CZ 4.44Å; F81-F87 HydrophobicContact CB-CE2 3.71Å; F81-F87 HydrophobicContact CB-CZ 4.3Å; F81-F87 AromaticContact CD1-CE2 3.91Å; F81-F87 HydrophobicContact CD1-CE2 3.91Å; F81-F87 AromaticContact CD1-CZ 3.7Å; F81-F87 HydrophobicContact CD1-CZ 3.7Å; F81-F87 AromaticContact CD2-CE2 3.7Å; F81-F87 HydrophobicContact CD2-CE2 3.7Å; F81-F87 HydrophobicContact CD2-CZ 4.19Å; F81-F87 HydrophobicContact CE1-CE2 4.43Å; F81-F87 AromaticContact CE1-CZ 3.97Å; F81-F87 HydrophobicContact CE1-CZ 3.97Å; F81-F87 HydrophobicContact CE2-CE2 4.22Å; F81-F87 HydrophobicContact CE2-CZ 4.4Å; F81-F87 AromaticContact CG-CE2 3.5Å; F81-F87 HydrophobicContact CG-CE2 3.5Å; F81-F87 AromaticContact CG-CZ 3.82Å; F81-F87 HydrophobicContact CG-CZ 3.82Å; F81-F87 HydrophobicContact CZ-CZ 4.31Å
82P98.4Very high97.3Very high53 Ų5358.8 Ų58.834%0.34433%0.33SS..EExtended strand (participates in β ladder)trans-55.1141.3168.1-27.536.6000111.9K63 N84 N85K63-P82 WeakPolarHBondContact O-CA 3.1Å; P82-N84 WeakPolarHBondContact CB-OD1 3.01Å; P82-N84 PolarHBondContact O-N 2.74Å; P82-N84 VanDerWaalsContact O-N 3.11Å; P82-N85 PolarHBondContact O-N 2.82Å; P82-N85 VanDerWaalsContact O-N 3.14Å; P82-N85 PolarHBondContact O-ND2 3.2Å
83C98.4Very high97.2Very high11 Ų1160 Ų607%0.07433%0.332CS..THydrogen-bonded Turntrans-71.8-5.2-173-63.50000115.3C53 S58 K63 S64C53-C83 WeakPolarHBondContact CA-SG 3.23Å; C53-C83 HydrophobicContact CB-CB 3.82Å; C53-C83 WeakPolarHBondContact CB-SG 3.24Å; C53-C83 WeakPolarHBondContact SG-CB 3.38Å; C53-C83 CovalentContact SG-SG 2.04Å; C53-C83 PolarHBondContact SG-SG 3.47Å; S58-C83 WeakPolarHBondContact O-CB 3.35Å; K63-C83 HydrophobicContact CB-CB 4.4Å; K63-C83 PolarHBondContact O-N 3.13Å; K63-C83 PolarHBondContact O-SG 3.29Å; K63-C83 VanDerWaalsContact O-SG 3.39Å; S64-C83 WeakPolarHBondContact CA-SG 3.47Å; S64-C83 PolarHBondContact N-SG 2.73Å; S64-C83 VanDerWaalsContact N-SG 3.41Å
84N98.3Very high97.1Very high91 Ų9164.3 Ų64.349%0.48736%0.357SS..THydrogen-bonded Turntrans-80.4-1.8171.264.6-39.3000113.2S59 P82S59-N84 WeakPolarHBondContact O-CA 2.95Å; S59-N84 VanDerWaalsContact O-CB 3.25Å; S59-N84 WeakPolarHBondContact O-CB 3.27Å; S59-N84 PolarHBondContact O-N 3.34Å; P82-N84 WeakPolarHBondContact CB-OD1 3.01Å; P82-N84 PolarHBondContact O-N 2.74Å; P82-N84 VanDerWaalsContact O-N 3.11Å
85N98.3Very high96.8Very high56 Ų5667 Ų6730%0.29937%0.37SS..  trans-75.5141.1173.4-74.6-84.8000111.6W38 P82 F87W38-N85 HydrophobicContact CZ2-CB 4.01Å; W38-N85 PolarHBondContact NE1-O 2.71Å; P82-N85 PolarHBondContact O-N 2.82Å; P82-N85 VanDerWaalsContact O-N 3.14Å; P82-N85 PolarHBondContact O-ND2 3.2Å; N85-F87 HydrophobicContact CB-CD1 4.4Å; N85-F87 HydrophobicContact CB-CD2 4.21Å; N85-F87 HydrophobicContact CB-CE1 3.9Å; N85-F87 HydrophobicContact CB-CE2 3.7Å; N85-F87 HydrophobicContact CB-CZ 3.52Å
86S97.2Very high96.5Very high112 Ų11267.9 Ų67.978%0.78338%0.38SS*.  trans-102.3108.4175.6-64.60000109.8
87F98Very high96.2Very high20 Ų2075 Ų759%0.08841%0.41CS..  trans-126.4172.5-177.9-62.9-30.7000111.1Y36 W38 A67 F81 N85Y36-F87 HydrophobicContact CD2-CE1 4.11Å; Y36-F87 HydrophobicContact CD2-CZ 4.31Å; Y36-F87 HydrophobicContact CG-CD1 4.43Å; Y36-F87 HydrophobicContact CG-CE1 4.28Å; Y36-F87 HydrophobicContact CG-CE2 4.39Å; Y36-F87 HydrophobicContact CG-CZ 4.24Å; Y36-F87 WeakPolarHBondContact O-CB 3.4Å; W38-F87 HydrophobicContact CD2-CB 4.48Å; W38-F87 AromaticContact CD2-CD2 3.88Å; W38-F87 HydrophobicContact CD2-CD2 3.88Å; W38-F87 AromaticContact CE2-CD2 3.47Å; W38-F87 VanDerWaalsContact CE2-CD2 3.47Å; W38-F87 HydrophobicContact CE3-CD2 4.3Å; W38-F87 HydrophobicContact CG-CB 4.2Å; W38-F87 HydrophobicContact CG-CD2 4.45Å; W38-F87 HydrophobicContact CH2-CD2 4.02Å; W38-F87 HydrophobicContact CH2-CE2 4.02Å; W38-F87 AromaticContact CZ2-CD2 3.58Å; W38-F87 HydrophobicContact CZ2-CD2 3.58Å; W38-F87 AromaticContact CZ2-CE2 3.89Å; W38-F87 HydrophobicContact CZ2-CE2 3.89Å; W38-F87 HydrophobicContact CZ2-CG 4.5Å; W38-F87 HydrophobicContact CZ3-CD2 4.32Å; W38-F87 HydrophobicContact CZ3-CE2 4.47Å; W38-F87 AromaticContact NE1-CD2 3.81Å; A67-F87 HydrophobicContact CB-CD2 3.95Å; A67-F87 HydrophobicContact CB-CE2 4.13Å; F81-F87 HydrophobicContact CB-CE2 3.71Å; F81-F87 HydrophobicContact CB-CZ 4.3Å; F81-F87 AromaticContact CD1-CE2 3.91Å; F81-F87 HydrophobicContact CD1-CE2 3.91Å; F81-F87 AromaticContact CD1-CZ 3.7Å; F81-F87 HydrophobicContact CD1-CZ 3.7Å; F81-F87 AromaticContact CD2-CE2 3.7Å; F81-F87 HydrophobicContact CD2-CE2 3.7Å; F81-F87 HydrophobicContact CD2-CZ 4.19Å; F81-F87 HydrophobicContact CE1-CE2 4.43Å; F81-F87 AromaticContact CE1-CZ 3.97Å; F81-F87 HydrophobicContact CE1-CZ 3.97Å; F81-F87 HydrophobicContact CE2-CE2 4.22Å; F81-F87 HydrophobicContact CE2-CZ 4.4Å; F81-F87 AromaticContact CG-CE2 3.5Å; F81-F87 HydrophobicContact CG-CE2 3.5Å; F81-F87 AromaticContact CG-CZ 3.82Å; F81-F87 HydrophobicContact CG-CZ 3.82Å; F81-F87 HydrophobicContact CZ-CZ 4.31Å; N85-F87 HydrophobicContact CB-CD1 4.4Å; N85-F87 HydrophobicContact CB-CD2 4.21Å; N85-F87 HydrophobicContact CB-CE1 3.9Å; N85-F87 HydrophobicContact CB-CE2 3.7Å; N85-F87 HydrophobicContact CB-CZ 3.52Å
88I98.5Very high95.9Very high5 Ų576 Ų763%0.02642%0.421CS..BIsolated β-bridgetrans-68.2141.1178.9-59.9155.4000109.4V26 W32 Y36 V37 W38 L70 L90V26-I88 HydrophobicContact CB-CD1 3.99Å; V26-I88 HydrophobicContact CG2-CD1 3.97Å; W32-I88 HydrophobicContact CB-CD1 4.22Å; W32-I88 HydrophobicContact CB-CG1 4.07Å; W32-I88 HydrophobicContact CD2-CG1 4.41Å; W32-I88 HydrophobicContact CG-CD1 4.25Å; W32-I88 HydrophobicContact CG-CG1 3.68Å; Y36-I88 VanDerWaalsContact O-CB 3.25Å; Y36-I88 WeakPolarHBondContact O-CB 3.44Å; Y36-I88 PolarHBondContact O-N 2.95Å; V37-I88 VanDerWaalsContact CA-O 3.3Å; V37-I88 WeakPolarHBondContact CA-O 3.46Å; V37-I88 HydrophobicContact CG2-CB 3.93Å; V37-I88 HydrophobicContact CG2-CG2 3.99Å; W38-I88 PolarHBondContact N-O 2.83Å; L70-I88 HydrophobicContact CD1-CD1 3.54Å; I88-L90 HydrophobicContact CG2-CD2 3.86Å
89V98.2Very high95.4Very high104 Ų10475.5 Ų75.563%0.6342%0.421SS*.  trans-117.9125.2169177.90000107.4W38W38-V89 HydrophobicContact CB-CG2 4.5Å
90L97.9Very high94.9Very high68 Ų6875.4 Ų75.436%0.35642%0.423SS..  trans-90.8147.1177.7-59.8-178.8000110.7I18 V37 L75 I88I18-L90 HydrophobicContact CG2-CD2 3.82Å; V37-L90 HydrophobicContact CG1-CD1 3.9Å; V37-L90 HydrophobicContact CG1-CG 3.79Å; V37-L90 HydrophobicContact CG2-CD1 4.13Å; V37-L90 HydrophobicContact CG2-CD2 4.39Å; V37-L90 HydrophobicContact CG2-CG 4.08Å; L75-L90 HydrophobicContact CD1-CD1 4.37Å; L75-L90 HydrophobicContact CD2-CD1 3.76Å; I88-L90 HydrophobicContact CG2-CD2 3.86Å
91C97.7Very high94.5Very high97 Ų9777.2 Ų77.266%0.65543%0.429SS*.  trans-112.5142170.6-59.40000108.8F21F21-C91 HydrophobicContact CE2-CB 4.35Å; F21-C91 HydrophobicContact CZ-CB 4.05Å
92I95.1Very high94Very high160 Ų16082.1 Ų82.182%0.82145%0.447SS*.  trans-125.1138.9179.7-17362.1000110.1N94I92-N94 PolarHBondContact O-N 3.3Å
93E94.1Very high93.4Very high124 Ų12487.1 Ų87.158%0.57946%0.459SS*.  trans-71.6112.8170.1-174.1178.1-161.800109.2M95 S96E93-M95 WeakPolarHBondContact CG-O 3.18Å; E93-M95 VanDerWaalsContact OE1-O 3.07Å; E93-S96 WeakPolarHBondContact OE1-CA 3.3Å
94N92Very high92.9Very high137 Ų13790.7 Ų90.773%0.73348%0.477SS*.SBendtrans-76.4-27179.2179.22.4000112.1I92I92-N94 PolarHBondContact O-N 3.3Å
95M89.1Confident92.3Very high60 Ų6088.4 Ų88.430%0.29647%0.47SS..SBendtrans-145.3134.4-179.9-62.7179.9-73.200109.2E93 N99 V100 R103E93-M95 WeakPolarHBondContact CG-O 3.18Å; E93-M95 VanDerWaalsContact OE1-O 3.07Å; M95-N99 HydrophobicContact CB-CB 4.34Å; M95-V100 HydrophobicContact CB-CG2 3.87Å; M95-V100 HydrophobicContact CE-CG2 3.94Å; M95-V100 HydrophobicContact SD-CG2 4.44Å; M95-R103 PolarHBondContact SD-NH1 2.98Å
96S90.4Very high91.5Very high55 Ų5592.4 Ų92.439%0.38549%0.485SS..  trans-58.5151.4168.563.50000111.5E93 G98 N99 V100E93-S96 WeakPolarHBondContact OE1-CA 3.3Å; S96-G98 VanDerWaalsContact C-N 3.33Å; S96-G98 PolarHBondContact O-N 2.94Å; S96-N99 WeakPolarHBondContact O-CA 3.43Å; S96-N99 WeakPolarHBondContact O-CB 3.34Å; S96-N99 PolarHBondContact O-N 3.14Å; S96-N99 PolarHBondContact OG-N 2.85Å; S96-N99 PolarHBondContact OG-ND2 2.99Å; S96-V100 PolarHBondContact O-N 2.6Å
97K89.9Confident90.8Very high161 Ų16195.4 Ų95.470%0.748%0.484SS*.Hα-helixtrans-47.1-50.1174.8-65.9-177.1178.6-179.80113.5N99 V100 E101K97-N99 VanDerWaalsContact C-N 3.27Å; K97-N99 PolarHBondContact O-N 2.91Å; K97-V100 WeakPolarHBondContact O-CA 3.16Å; K97-V100 WeakPolarHBondContact O-CB 3.11Å; K97-V100 PolarHBondContact O-N 2.94Å; K97-E101 PolarHBondContact O-N 3.06Å
98G89.8Confident89.9Confident40 Ų40104.3 Ų104.341%0.41252%0.517SS..Hα-helixtrans-62.6-30.7178.500000113.9S96 R102S96-G98 VanDerWaalsContact C-N 3.33Å; S96-G98 PolarHBondContact O-N 2.94Å; G98-R102 VanDerWaalsContact O-CB 3.3Å; G98-R102 WeakPolarHBondContact O-CB 3.47Å; G98-R102 PolarHBondContact O-N 3.5Å
99N88.3Confident88.5Confident59 Ų59111 Ų11132%0.31655%0.546SS..Hα-helixtrans-70.6-37.1172.9-79.6-31000112.2M95 S96 K97 R102 R103M95-N99 HydrophobicContact CB-CB 4.34Å; S96-N99 WeakPolarHBondContact O-CA 3.43Å; S96-N99 WeakPolarHBondContact O-CB 3.34Å; S96-N99 PolarHBondContact O-N 3.14Å; S96-N99 PolarHBondContact OG-N 2.85Å; S96-N99 PolarHBondContact OG-ND2 2.99Å; K97-N99 VanDerWaalsContact C-N 3.27Å; K97-N99 PolarHBondContact O-N 2.91Å; N99-R102 PolarHBondContact OD1-NH2 3.36Å; N99-R103 WeakPolarHBondContact O-CB 3.19Å; N99-R103 WeakPolarHBondContact O-CG 3.14Å; N99-R103 PolarHBondContact O-N 3.39Å
100V87.4Confident86.8Confident52 Ų52107.6 Ų107.632%0.31553%0.532SS..Hα-helixtrans-63.1-51.3174.1175.90000109.9M95 S96 K97 R102 R103 L104M95-V100 HydrophobicContact CB-CG2 3.87Å; M95-V100 HydrophobicContact CE-CG2 3.94Å; M95-V100 HydrophobicContact SD-CG2 4.44Å; S96-V100 PolarHBondContact O-N 2.6Å; K97-V100 WeakPolarHBondContact O-CA 3.16Å; K97-V100 WeakPolarHBondContact O-CB 3.11Å; K97-V100 PolarHBondContact O-N 2.94Å; V100-R102 PolarHBondContact O-N 3.47Å; V100-R103 PolarHBondContact O-N 3.11Å; V100-R103 VanDerWaalsContact O-N 3.1Å; V100-L104 HydrophobicContact CG1-CD1 3.82Å; V100-L104 HydrophobicContact CG1-CG 4.23Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.11Å
101E89.6Confident84.9Confident116 Ų116110.7 Ų110.754%0.54256%0.556SS.*Hα-helixtrans-57.8-47.7179.1-72.4163.8-173.800111.8K97 R103 L104 A105K97-E101 PolarHBondContact O-N 3.06Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.19Å; E101-L104 PolarHBondContact O-N 2.86Å; E101-L104 VanDerWaalsContact O-N 3.17Å; E101-A105 WeakPolarHBondContact O-CB 3.27Å; E101-A105 PolarHBondContact O-N 3.03Å
102R87.8Confident82.7Confident144 Ų144111.1 Ų111.154%0.54356%0.556SS.*Hα-helixtrans-60-39.5175.5-176.4173.461.1172.3-1.3112.6G98 N99 V100 K106G98-R102 VanDerWaalsContact O-CB 3.3Å; G98-R102 WeakPolarHBondContact O-CB 3.47Å; G98-R102 PolarHBondContact O-N 3.5Å; N99-R102 PolarHBondContact OD1-NH2 3.36Å; V100-R102 PolarHBondContact O-N 3.47Å; R102-K106 WeakPolarHBondContact O-CG 3.43Å; R102-K106 PolarHBondContact O-N 2.04Å
103R85.7Confident80.4Confident157 Ų157109.8 Ų109.859%0.59255%0.55SS*.Hα-helixtrans-68.3-38.9175.8-79.2-178.8175.1-166.4-0.6111.9M95 N99 V100 E101 K107M95-R103 PolarHBondContact SD-NH1 2.98Å; N99-R103 WeakPolarHBondContact O-CB 3.19Å; N99-R103 WeakPolarHBondContact O-CG 3.14Å; N99-R103 PolarHBondContact O-N 3.39Å; V100-R103 PolarHBondContact O-N 3.11Å; V100-R103 VanDerWaalsContact O-N 3.1Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.19Å; R103-K107 WeakPolarHBondContact O-CG 3.45Å; R103-K107 PolarHBondContact O-N 3.41Å; R103-K107 VanDerWaalsContact O-N 3.09Å
104L87.7Confident78.1Confident86 Ų86112.6 Ų112.645%0.4556%0.56SS.*Hα-helixtrans-68.8-40.2176.3-68.6175.5000111.6V100 E101 K107 R108V100-L104 HydrophobicContact CG1-CD1 3.82Å; V100-L104 HydrophobicContact CG1-CG 4.23Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.11Å; E101-L104 PolarHBondContact O-N 2.86Å; E101-L104 VanDerWaalsContact O-N 3.17Å; L104-K107 PolarHBondContact O-N 3.46Å; L104-R108 WeakPolarHBondContact O-CB 3.42Å; L104-R108 WeakPolarHBondContact O-CG 3.31Å; L104-R108 PolarHBondContact O-N 2.99Å
105A85.4Confident76.1Confident43 Ų43114 Ų11436%0.35557%0.567SS.*Hα-helixtrans-61.4-48.7174.100000111.1E101 K107 R108 F109E101-A105 WeakPolarHBondContact O-CB 3.27Å; E101-A105 PolarHBondContact O-N 3.03Å; A105-K107 VanDerWaalsContact C-N 3.26Å; A105-K107 PolarHBondContact O-N 2.91Å; A105-R108 PolarHBondContact O-N 3.46Å; A105-R108 VanDerWaalsContact O-N 3.1Å; A105-F109 HydrophobicContact CB-CD2 4.3Å; A105-F109 WeakPolarHBondContact O-CB 3.2Å; A105-F109 VanDerWaalsContact O-CD2 3.3Å; A105-F109 WeakPolarHBondContact O-CD2 3.12Å; A105-F109 PolarHBondContact O-N 2.99Å
106K82.4Confident74Confident140 Ų140116.3 Ų116.361%0.60958%0.581SS**Hα-helixtrans-59-34.7174.6-74.4-177.9178.6-166.50113.3R102 G110R102-K106 WeakPolarHBondContact O-CG 3.43Å; R102-K106 PolarHBondContact O-N 2.04Å; K106-G110 VanDerWaalsContact O-CA 3.23Å; K106-G110 WeakPolarHBondContact O-CA 3.3Å; K106-G110 PolarHBondContact O-N 3.44Å
107K82.4Confident72.2Confident176 Ų176118.2 Ų118.277%0.76560%0.6SS**Hα-helixtrans-71.4-38.3174.5-78.4-176.4175.9-172.40112.7R103 L104 A105R103-K107 WeakPolarHBondContact O-CG 3.45Å; R103-K107 PolarHBondContact O-N 3.41Å; R103-K107 VanDerWaalsContact O-N 3.09Å; L104-K107 PolarHBondContact O-N 3.46Å; A105-K107 VanDerWaalsContact C-N 3.26Å; A105-K107 PolarHBondContact O-N 2.91Å
108R78.6Confident70.5Confident206 Ų206115.8 Ų115.878%0.77760%0.599SS**Hα-helixtrans-76.4-37.9-179-76.5-178.7172.3-179-1.8112.9L104 A105L104-R108 WeakPolarHBondContact O-CB 3.42Å; L104-R108 WeakPolarHBondContact O-CG 3.31Å; L104-R108 PolarHBondContact O-N 2.99Å; A105-R108 PolarHBondContact O-N 3.46Å; A105-R108 VanDerWaalsContact O-N 3.1Å
109F70.1Confident68.9Low145 Ų145118.2 Ų118.264%0.63660%0.602SS**Hα-helixtrans-108-2.2-172.7-60.3-69.5000113.3A105 V112A105-F109 HydrophobicContact CB-CD2 4.3Å; A105-F109 WeakPolarHBondContact O-CB 3.2Å; A105-F109 VanDerWaalsContact O-CD2 3.3Å; A105-F109 WeakPolarHBondContact O-CD2 3.12Å; A105-F109 PolarHBondContact O-N 2.99Å; F109-V112 WeakPolarHBondContact O-CB 3.42Å; F109-V112 WeakPolarHBondContact O-CG2 3.37Å; F109-V112 PolarHBondContact O-N 3.04Å
110G61.6Low67.4Low33 Ų33122.7 Ų122.734%0.3462%0.623SS.*  trans57.2-166.1-176.800000111.9K106 V112K106-G110 VanDerWaalsContact O-CA 3.23Å; K106-G110 WeakPolarHBondContact O-CA 3.3Å; K106-G110 PolarHBondContact O-N 3.44Å; G110-V112 PolarHBondContact O-N 3.37Å
111P57.4Low66.2Low133 Ų133124 Ų12486%0.86464%0.635SS**SBendtrans-73.963.5166.333.4-32.4000109.8
112V52.1Low64.9Low107 Ų107120.6 Ų120.665%0.64863%0.627SS**  trans-95.3129.6157.9177.60000104.8F109 G110F109-V112 WeakPolarHBondContact O-CB 3.42Å; F109-V112 WeakPolarHBondContact O-CG2 3.37Å; F109-V112 PolarHBondContact O-N 3.04Å; G110-V112 PolarHBondContact O-N 3.37Å
113L47.5Very low63.8Low132 Ų132118.3 Ų118.369%0.69162%0.621SS**  trans8266.1-160.4-44.4177.7000113.2
114K45.5Very low62.8Low183 Ų183113.5 Ų113.580%0.79662%0.615SS**  trans-61.9135.8136.5-99.2179.8173.8178.90106D116K114-D116 PolarHBondContact O-N 2.64Å
115D49.6Very low61.9Low165 Ų165114.1 Ų114.188%0.88263%0.626SS**  trans-61.172.1173.4-57.2-54.2000110.7
116D44.4Very low61.2Low110 Ų110113.9 Ų113.959%0.58862%0.622SS**  trans-86.4108.5160.4-85.1-34.2000106.2K114 T118 D119K114-D116 PolarHBondContact O-N 2.64Å; D116-T118 PolarHBondContact O-N 3.19Å; D116-D119 PolarHBondContact O-N 2.93Å
117A53.9Low60.9Low94 Ų94111 Ų11178%0.77762%0.619SS**Hα-helixtrans-52.1-16.1177.700000113.4
118T53.7Low60.4Low111 Ų111106.1 Ų106.168%0.68160%0.602SS**Hα-helixtrans-72.7-24.5177-20.90000114.1D116 S121D116-T118 PolarHBondContact O-N 3.19Å; T118-S121 PolarHBondContact O-OG 3.38Å; T118-S121 VanDerWaalsContact O-OG 3.06Å
119D55.1Low60Low90 Ų90100.4 Ų100.448%0.48158%0.581SS.*Hα-helixtrans-92-21.1-176.7-161.727.1000112.8D116 S121 A122 F123D116-D119 PolarHBondContact O-N 2.93Å; D119-S121 VanDerWaalsContact C-N 3.31Å; D119-S121 PolarHBondContact O-N 3.19Å; D119-A122 PolarHBondContact O-N 3Å; D119-F123 PolarHBondContact O-N 3.04Å
120M58.1Low60Low153 Ų153101.1 Ų101.175%0.75458%0.579SS**Hα-helixtrans-68.1-31.9177.4-140.5171.174.900112A124M120-A124 VanDerWaalsContact O-CB 3.23Å; M120-A124 WeakPolarHBondContact O-CB 3.03Å; M120-A124 PolarHBondContact O-N 2.88Å
121S61.3Low60.7Low79 Ų79105.1 Ų105.155%0.55259%0.587SS**Hα-helixtrans-73.2-36.6173.661.20000111.9T118 D119 S125T118-S121 PolarHBondContact O-OG 3.38Å; T118-S121 VanDerWaalsContact O-OG 3.06Å; D119-S121 VanDerWaalsContact C-N 3.31Å; D119-S121 PolarHBondContact O-N 3.19Å; S121-S125 PolarHBondContact O-N 2.9Å; S121-S125 VanDerWaalsContact O-N 3.15Å
122A62.4Low61.3Low46 Ų46103.4 Ų103.438%0.3857%0.568SS.*Hα-helixtrans-64.7-48174.600000111D119 S125 S126D119-A122 PolarHBondContact O-N 3Å; A122-S125 PolarHBondContact O-N 3.22Å; A122-S125 PolarHBondContact O-OG 2.74Å; A122-S126 PolarHBondContact O-N 3.17Å; A122-S126 VanDerWaalsContact O-N 3.13Å
123F64.5Low61.9Low95 Ų95102 Ų10242%0.41755%0.554SS.*Hα-helixtrans-62.2-43.2175.9-174.4-105000112.7D119 S125 S126 D128 Y129 H132D119-F123 PolarHBondContact O-N 3.04Å; F123-S125 PolarHBondContact O-N 3Å; F123-S126 WeakPolarHBondContact O-CB 3.16Å; F123-S126 PolarHBondContact O-N 3.44Å; F123-D128 HydrophobicContact CE2-CB 4.29Å; F123-Y129 HydrophobicContact CD1-CD2 4.39Å; F123-Y129 HydrophobicContact CE1-CD2 4.14Å; F123-H132 HydrophobicContact CZ-CB 4.47Å
124A65.4Low62.8Low56 Ų56101.7 Ų101.746%0.46355%0.549SS..Hα-helixtrans-63.4-23.7177.600000113.3M120M120-A124 VanDerWaalsContact O-CB 3.23Å; M120-A124 WeakPolarHBondContact O-CB 3.03Å; M120-A124 PolarHBondContact O-N 2.88Å
125S67.7Low63.8Low99 Ų99100.1 Ų100.169%0.69254%0.538SS*.Hα-helixtrans-90-11.5173.2790000114.2S121 A122 F123S121-S125 PolarHBondContact O-N 2.9Å; S121-S125 VanDerWaalsContact O-N 3.15Å; A122-S125 PolarHBondContact O-N 3.22Å; A122-S125 PolarHBondContact O-OG 2.74Å; F123-S125 PolarHBondContact O-N 3Å
126S72.1Confident64.5Low39 Ų3996.4 Ų96.427%0.27352%0.517SS..SBendtrans-76146.1179.2178.80000111A122 F123 D128 Y129A122-S126 PolarHBondContact O-N 3.17Å; A122-S126 VanDerWaalsContact O-N 3.13Å; F123-S126 WeakPolarHBondContact O-CB 3.16Å; F123-S126 PolarHBondContact O-N 3.44Å; S126-D128 PolarHBondContact O-N 3.2Å; S126-D128 PolarHBondContact OG-N 3.06Å; S126-D128 PolarHBondContact OG-OD2 3.4Å; S126-Y129 WeakPolarHBondContact O-CB 3.39Å; S126-Y129 PolarHBondContact O-N 3.05Å; S126-Y129 VanDerWaalsContact O-N 3.14Å
127S75.9Confident65.3Low78 Ų7895.6 Ų95.655%0.54551%0.513SS..Hα-helixtrans-51.6-25.4167.6157.70000113Y129S127-Y129 VanDerWaalsContact C-N 3.3Å; S127-Y129 PolarHBondContact O-N 3.16Å
128D71.7Confident65.5Low75 Ų7597.9 Ų97.940%0.40151%0.507SS..Hα-helixtrans-74.4-19.3-176.2-63.7-39.7000113.4F123 S126 W130 K131 H132F123-D128 HydrophobicContact CE2-CB 4.29Å; S126-D128 PolarHBondContact O-N 3.2Å; S126-D128 PolarHBondContact OG-N 3.06Å; S126-D128 PolarHBondContact OG-OD2 3.4Å; D128-W130 PolarHBondContact O-N 3.28Å; D128-K131 PolarHBondContact O-N 3.22Å; D128-K131 IonicContact OD1-NZ 2.78Å; D128-K131 PolarHBondContact OD1-NZ 3.08Å; D128-H132 PolarHBondContact O-N 3.27Å
129Y69.8Low65.7Low86 Ų8698.9 Ų98.934%0.33750%0.504SS..Hα-helixtrans-58.1-48172.7176.8-103.2000111.5F123 S126 S127 K131 H132 Q133F123-Y129 HydrophobicContact CD1-CD2 4.39Å; F123-Y129 HydrophobicContact CE1-CD2 4.14Å; S126-Y129 WeakPolarHBondContact O-CB 3.39Å; S126-Y129 PolarHBondContact O-N 3.05Å; S126-Y129 VanDerWaalsContact O-N 3.14Å; S127-Y129 VanDerWaalsContact C-N 3.3Å; S127-Y129 PolarHBondContact O-N 3.16Å; Y129-K131 VanDerWaalsContact C-N 3.29Å; Y129-K131 PolarHBondContact O-N 3.21Å; Y129-H132 PolarHBondContact O-N 3.44Å; Y129-H132 VanDerWaalsContact O-N 3.12Å; Y129-Q133 PolarHBondContact O-N 2.88Å; Y129-Q133 PolarHBondContact OH-OE1 3.19Å; Y129-Q133 VanDerWaalsContact OH-OE1 3.06Å
130W70.3Confident65.8Low160 Ų160100.9 Ų100.961%0.60651%0.514SS*.Hα-helixtrans-64-34.4180-58.4111.7000112.6D128 H134D128-W130 PolarHBondContact O-N 3.28Å; W130-H134 PolarHBondContact O-N 2.93Å
131K75.9Confident65.6Low116 Ų116105.3 Ų105.350%0.50453%0.53SS..Hα-helixtrans-68.4-37.3175.4-62177-167.4155.10111.7D128 Y129 R135D128-K131 PolarHBondContact O-N 3.22Å; D128-K131 IonicContact OD1-NZ 2.78Å; D128-K131 PolarHBondContact OD1-NZ 3.08Å; Y129-K131 VanDerWaalsContact C-N 3.29Å; Y129-K131 PolarHBondContact O-N 3.21Å; K131-R135 PolarHBondContact O-N 3.01Å
132H69.5Low65.8Low97 Ų97106.7 Ų106.745%0.44953%0.529SS..Hα-helixtrans-71-41.6177.8-160.863.7000111.4F123 D128 Y129 H134 R135 L136F123-H132 HydrophobicContact CZ-CB 4.47Å; D128-H132 PolarHBondContact O-N 3.27Å; Y129-H132 PolarHBondContact O-N 3.44Å; Y129-H132 VanDerWaalsContact O-N 3.12Å; H132-H134 VanDerWaalsContact C-N 3.35Å; H132-H134 PolarHBondContact O-N 3.04Å; H132-R135 PolarHBondContact O-N 2.99Å; H132-L136 PolarHBondContact O-N 2.87Å; H132-L136 VanDerWaalsContact O-N 3.11Å
133Q66.4Low65.9Low77 Ų77109.8 Ų109.836%0.3654%0.537SS..Hα-helixtrans-64.6-37.7177-167.9166-45.400112.4Y129 R135 L136 L137Y129-Q133 PolarHBondContact O-N 2.88Å; Y129-Q133 PolarHBondContact OH-OE1 3.19Å; Y129-Q133 VanDerWaalsContact OH-OE1 3.06Å; Q133-R135 VanDerWaalsContact C-N 3.34Å; Q133-R135 PolarHBondContact O-N 2.94Å; Q133-L136 PolarHBondContact O-N 3.24Å; Q133-L137 WeakPolarHBondContact O-CG 3.46Å; Q133-L137 PolarHBondContact O-N 3.38Å
134H65.4Low66Low126 Ų126110.7 Ų110.758%0.58354%0.543SS*.Hα-helixtrans-62.4-40.7172.8-111.2-77.5000112.6W130 H132 L137 E138W130-H134 PolarHBondContact O-N 2.93Å; H132-H134 VanDerWaalsContact C-N 3.35Å; H132-H134 PolarHBondContact O-N 3.04Å; H134-L137 PolarHBondContact O-N 3.46Å; H134-E138 PolarHBondContact O-N 2.65Å; H134-E138 VanDerWaalsContact O-N 3.11Å
135R67.3Low66.1Low150 Ų150113.9 Ų113.957%0.56655%0.548SS*.Hα-helixtrans-66-39.3179.9-164.7175.4-55.3-172.22.9112.7K131 H132 Q133 L137 E138 E139K131-R135 PolarHBondContact O-N 3.01Å; H132-R135 PolarHBondContact O-N 2.99Å; Q133-R135 VanDerWaalsContact C-N 3.34Å; Q133-R135 PolarHBondContact O-N 2.94Å; R135-L137 VanDerWaalsContact C-N 3.28Å; R135-L137 PolarHBondContact O-N 2.9Å; R135-E138 PolarHBondContact O-N 3.29Å; R135-E139 PolarHBondContact O-N 3.28Å
136L62.9Low66Low87 Ų87114.8 Ų114.846%0.45554%0.539SS..Hα-helixtrans-67.3-29.3176.2-72.5167.1000112.5H132 Q133 L140H132-L136 PolarHBondContact O-N 2.87Å; H132-L136 VanDerWaalsContact O-N 3.11Å; Q133-L136 PolarHBondContact O-N 3.24Å; L136-L140 WeakPolarHBondContact O-CD1 3.36Å; L136-L140 WeakPolarHBondContact O-CG 3.38Å
137L61.6Low65.6Low94 Ų94119.9 Ų119.949%0.49256%0.557SS.*Hα-helixtrans-76-29.6174.5-72.4168.5000112.7Q133 H134 R135 E139 L140Q133-L137 WeakPolarHBondContact O-CG 3.46Å; Q133-L137 PolarHBondContact O-N 3.38Å; H134-L137 PolarHBondContact O-N 3.46Å; R135-L137 VanDerWaalsContact C-N 3.28Å; R135-L137 PolarHBondContact O-N 2.9Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-L140 PolarHBondContact O-N 2.59Å
138E58.3Low64.8Low142 Ų142122.9 Ų122.966%0.66456%0.558SS**Hα-helixtrans-73-22.7173.4-72.8178.4173.800113.1H134 R135 L140H134-E138 PolarHBondContact O-N 2.65Å; H134-E138 VanDerWaalsContact O-N 3.11Å; R135-E138 PolarHBondContact O-N 3.29Å; E138-L140 VanDerWaalsContact C-N 3.32Å
139E58Low64.3Low131 Ų131126.5 Ų126.561%0.61257%0.57SS**THydrogen-bonded Turntrans-87.30.4177-69.5177.817900113.4R135 L137R135-E139 PolarHBondContact O-N 3.28Å; L137-E139 VanDerWaalsContact C-N 3.32Å
140L57.2Low63.8Low133 Ų133129.9 Ų129.970%0.69659%0.589SS**THydrogen-bonded Turntrans-107.58.5-179.2-75.6166.8000114.4L136 L137 E138L136-L140 WeakPolarHBondContact O-CD1 3.36Å; L136-L140 WeakPolarHBondContact O-CG 3.38Å; L137-L140 PolarHBondContact O-N 2.59Å; E138-L140 VanDerWaalsContact C-N 3.32Å
141F53.2Low63.2Low246 Ų246127.2 Ų127.2100%1.07959%0.587SS**  trans-128.90169.1-71.4-81.4000110.8

Retrieved 141 of 141 residues in 352.7 ms (Link to these results)

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