A0A3Q0KKR9_SCHMA Loading...

Coatomer subunit beta

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins.

AlphaFold DB , UniProt , Accession A0A3Q0KKR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,048 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
1M31.8Very low48.3Very low237 Ų237121.6 Ų121.6100%1.16769%0.691SS**  0-16.80-69.4-166.8-17200113.6
2A35Very low48.9Very low86 Ų86116.9 Ų116.971%0.71169%0.69SS**  trans-81.6-6.2-179.800000115.1D4A2-D4 VanDerWaalsContact C-N 3.28Å; A2-D4 PolarHBondContact O-N 2.67Å
3S37.2Very low49.6Very low118 Ų118117.2 Ų117.283%0.82569%0.685SS**THydrogen-bonded Turntrans-79.54.3-167.154.10000115.9
4D43.4Very low49.9Very low122 Ų122113.7 Ų113.765%0.65267%0.67SS**THydrogen-bonded Turntrans-132.618.3-174.6-132.3-2.3000112.9A2 I6 K127A2-D4 VanDerWaalsContact C-N 3.28Å; A2-D4 PolarHBondContact O-N 2.67Å; D4-I6 PolarHBondContact O-N 3.12Å; D4-K127 IonicContact OD1-NZ 3.71Å
5Q43.8Very low50.1Low169 Ų169115.5 Ų115.579%0.7969%0.691SS**  trans-68.5117.2175.7-130.2175.1-7.800108.9C7Q5-C7 PolarHBondContact O-N 2.84Å; Q5-C7 VanDerWaalsContact O-N 3.12Å
6I51.6Low50.3Low88 Ų88119.6 Ų119.645%0.45170%0.701SS.*  trans-60.2116.7-175.3-57.3162.6000108.4D4 Y8D4-I6 PolarHBondContact O-N 3.12Å; I6-Y8 HydrophobicContact CB-CD2 4.24Å; I6-Y8 HydrophobicContact CB-CE1 4.19Å; I6-Y8 HydrophobicContact CB-CE2 3.59Å; I6-Y8 WeakPolarHBondContact CD1-OH 3.42Å; I6-Y8 HydrophobicContact CG2-CD1 3.79Å; I6-Y8 HydrophobicContact CG2-CD2 4.06Å; I6-Y8 HydrophobicContact CG2-CE1 3.32Å; I6-Y8 HydrophobicContact CG2-CE2 3.63Å; I6-Y8 HydrophobicContact CG2-CG 4.13Å; I6-Y8 VanDerWaalsContact O-CD2 3.3Å; I6-Y8 WeakPolarHBondContact O-CD2 3.21Å; I6-Y8 PolarHBondContact O-N 2.95Å
7C47.5Very low50.5Low131 Ų131114.8 Ų114.889%0.88567%0.673SS**  trans-77.4103.8172.9-158.20000107.7Q5Q5-C7 PolarHBondContact O-N 2.84Å; Q5-C7 VanDerWaalsContact O-N 3.12Å
8Y57.8Low50.9Low59 Ų59117.2 Ų117.223%0.23167%0.674CS.*  trans-92.4149172.7-60.2-75.4000109.2I6 L10 I49 V83I6-Y8 HydrophobicContact CB-CD2 4.24Å; I6-Y8 HydrophobicContact CB-CE1 4.19Å; I6-Y8 HydrophobicContact CB-CE2 3.59Å; I6-Y8 WeakPolarHBondContact CD1-OH 3.42Å; I6-Y8 HydrophobicContact CG2-CD1 3.79Å; I6-Y8 HydrophobicContact CG2-CD2 4.06Å; I6-Y8 HydrophobicContact CG2-CE1 3.32Å; I6-Y8 HydrophobicContact CG2-CE2 3.63Å; I6-Y8 HydrophobicContact CG2-CG 4.13Å; I6-Y8 VanDerWaalsContact O-CD2 3.3Å; I6-Y8 WeakPolarHBondContact O-CD2 3.21Å; I6-Y8 PolarHBondContact O-N 2.95Å; Y8-L10 PolarHBondContact O-N 2.9Å; Y8-I49 HydrophobicContact CG-CG2 4.49Å; Y8-V83 HydrophobicContact CD1-CG1 4.48Å; Y8-V83 HydrophobicContact CE1-CG1 4Å
9T59.3Low51.5Low128 Ų128118.4 Ų118.479%0.78568%0.684SS**  trans-59110.5168.8-52.10000108.5V11T9-V11 PolarHBondContact O-N 3.3Å; T9-V11 VanDerWaalsContact O-N 3.17Å
10L59.1Low52.4Low128 Ų128115.8 Ų115.867%0.6766%0.662SS**  trans-60119.5173.4-69.4171000108.2Y8 G12Y8-L10 PolarHBondContact O-N 2.9Å; L10-G12 PolarHBondContact O-N 3.47Å
11V64.3Low53.8Low72 Ų72114.4 Ų114.444%0.43666%0.657SS.*  trans-85106.9177.7-177.70000106.8T9 L13 R46 N50T9-V11 PolarHBondContact O-N 3.3Å; T9-V11 VanDerWaalsContact O-N 3.17Å; V11-L13 PolarHBondContact O-N 2.83Å; V11-R46 HydrophobicContact CB-CG 4.19Å; V11-R46 HydrophobicContact CG1-CG 4.32Å; V11-N50 PolarHBondContact N-OD1 3.34Å; V11-N50 PolarHBondContact O-ND2 3.13Å
12G56.1Low56.2Low65 Ų65106.8 Ų106.867%0.6762%0.618SS**  trans-46.4129.4-179.600000111.9L10 S14L10-G12 PolarHBondContact O-N 3.47Å; G12-S14 PolarHBondContact O-N 3.5Å
13L58Low58.5Low121 Ų121108.1 Ų108.163%0.63461%0.61SS**  trans-70.7107.3171.6-72.8150.3000107.4V11V11-L13 PolarHBondContact O-N 2.83Å
14S54Low60.9Low68 Ų68107.1 Ų107.148%0.47659%0.59SS.*  trans-58.1151.1166.968.30000110.4G12 E16 T17G12-S14 PolarHBondContact O-N 3.5Å; S14-E16 PolarHBondContact O-N 2.7Å; S14-E16 VanDerWaalsContact O-N 3.07Å; S14-T17 WeakPolarHBondContact CA-OG1 3.17Å; S14-T17 PolarHBondContact N-OG1 3.09Å; S14-T17 PolarHBondContact O-N 3.43Å; S14-T17 PolarHBondContact O-OG1 3.02Å; S14-T17 PolarHBondContact OG-N 3.18Å; S14-T17 PolarHBondContact OG-OG1 3.02Å
15S53.3Low63.1Low140 Ų140101.3 Ų101.398%0.97956%0.559SS**THydrogen-bonded Turntrans-61.6-17.3172.5-62.60000113
16E51.9Low65.2Low181 Ų18197 Ų9785%0.84654%0.538SS*.THydrogen-bonded Turntrans-89.42.4176.6-62.3-172.8170.400113.8S14 K18S14-E16 PolarHBondContact O-N 2.7Å; S14-E16 VanDerWaalsContact O-N 3.07Å; E16-K18 PolarHBondContact O-N 3.18Å
17T54.9Low67.1Low38 Ų3896.4 Ų96.423%0.23354%0.536CS..  trans-71.7109.4-173.4-18.30000110.8S14 T19S14-T17 WeakPolarHBondContact CA-OG1 3.17Å; S14-T17 PolarHBondContact N-OG1 3.09Å; S14-T17 PolarHBondContact O-N 3.43Å; S14-T17 PolarHBondContact O-OG1 3.02Å; S14-T17 PolarHBondContact OG-N 3.18Å; S14-T17 PolarHBondContact OG-OG1 3.02Å; T17-T19 PolarHBondContact O-N 3.29Å; T17-T19 VanDerWaalsContact O-N 3.16Å
18K56.5Low69.2Low159 Ų15990.9 Ų90.969%0.69150%0.497SS*.  trans-55.6119.7172.8-67.4179.2-179.4175.60108.3E16 Y20E16-K18 PolarHBondContact O-N 3.18Å; K18-Y20 HydrophobicContact CB-CD2 4.21Å; K18-Y20 HydrophobicContact CB-CE2 4.13Å; K18-Y20 WeakPolarHBondContact O-CD2 3.42Å; K18-Y20 PolarHBondContact O-N 2.91Å
19T63.3Low70.8Confident140 Ų14088.1 Ų88.186%0.85949%0.486SS*.  trans-68100.4169.733.30000108.4T17 T21T17-T19 PolarHBondContact O-N 3.29Å; T17-T19 VanDerWaalsContact O-N 3.16Å; T19-T21 PolarHBondContact O-N 3.18Å
20Y70Confident72.4Confident65 Ų6585.6 Ų85.626%0.25547%0.466SS..  trans-74.4117.7173.6-91-97.8000109.1K18 K24 L25 E43K18-Y20 HydrophobicContact CB-CD2 4.21Å; K18-Y20 HydrophobicContact CB-CE2 4.13Å; K18-Y20 WeakPolarHBondContact O-CD2 3.42Å; K18-Y20 PolarHBondContact O-N 2.91Å; Y20-K24 HydrophobicContact CD1-CB 4.5Å; Y20-K24 HydrophobicContact CD1-CG 3.96Å; Y20-K24 HydrophobicContact CE1-CG 4.18Å; Y20-L25 HydrophobicContact CD1-CD2 3.63Å; Y20-L25 HydrophobicContact CD1-CG 4.07Å; Y20-L25 HydrophobicContact CE1-CD2 4.4Å; Y20-L25 HydrophobicContact CG-CD2 3.98Å; Y20-L25 HydrophobicContact CG-CG 4.37Å; Y20-E43 HydrophobicContact CD2-CB 4.4Å; Y20-E43 HydrophobicContact CD2-CG 3.51Å; Y20-E43 HydrophobicContact CE2-CG 4.07Å; Y20-E43 HydrophobicContact CG-CG 3.79Å
21T80.7Confident73.9Confident88 Ų8882.4 Ų82.454%0.5445%0.449SS..  trans-71.2150.1170.6570000110T19 Q23 K24 L25T19-T21 PolarHBondContact O-N 3.18Å; T21-Q23 PolarHBondContact O-N 3.48Å; T21-Q23 VanDerWaalsContact O-N 3.15Å; T21-K24 PolarHBondContact O-N 2.89Å; T21-K24 WeakPolarHBondContact OG1-CB 3.27Å; T21-K24 PolarHBondContact OG1-N 3.27Å; T21-L25 PolarHBondContact O-N 2.99Å
22E81.9Confident75Confident77 Ų7784.5 Ų84.536%0.3647%0.467SS..Hα-helixtrans-52.7-38.9177-17618017400111.6L25 K26 F54 N56 L57E22-L25 PolarHBondContact O-N 3.44Å; E22-K26 WeakPolarHBondContact O-CB 3.36Å; E22-K26 PolarHBondContact O-N 3.36Å; E22-F54 HydrophobicContact CB-CD1 4.28Å; E22-F54 HydrophobicContact CB-CE1 4.16Å; E22-F54 HydrophobicContact CG-CD1 3.95Å; E22-F54 HydrophobicContact CG-CE1 4.34Å; E22-N56 PolarHBondContact OE1-ND2 3.33Å; E22-L57 HydrophobicContact CG-CD1 4.18Å; E22-L57 HydrophobicContact CG-CD2 4.16Å; E22-L57 HydrophobicContact CG-CG 4.1Å
23Q84.3Confident76.7Confident114 Ų11485 Ų8553%0.53346%0.455SS..Hα-helixtrans-64.9-42.6177.1-168.266.319.100112.2T21 K26 D27T21-Q23 PolarHBondContact O-N 3.48Å; T21-Q23 VanDerWaalsContact O-N 3.15Å; Q23-K26 WeakPolarHBondContact O-CB 3.34Å; Q23-K26 PolarHBondContact O-N 3.44Å; Q23-D27 VanDerWaalsContact O-CG 3.27Å; Q23-D27 PolarHBondContact O-N 3.37Å
24K87.3Confident78.3Confident96 Ų9682 Ų8242%0.41744%0.439SS..Hα-helixtrans-66.4-40.8178.2-177.554.7174.5155.60111.7Y20 T21 K26 D27 D28Y20-K24 HydrophobicContact CD1-CB 4.5Å; Y20-K24 HydrophobicContact CD1-CG 3.96Å; Y20-K24 HydrophobicContact CE1-CG 4.18Å; T21-K24 PolarHBondContact O-N 2.89Å; T21-K24 WeakPolarHBondContact OG1-CB 3.27Å; T21-K24 PolarHBondContact OG1-N 3.27Å; K24-K26 VanDerWaalsContact C-N 3.33Å; K24-D27 PolarHBondContact O-N 3.44Å; K24-D28 WeakPolarHBondContact CE-OD1 3.5Å; K24-D28 WeakPolarHBondContact CE-OD2 3.45Å; K24-D28 IonicContact NZ-OD1 2.96Å; K24-D28 PolarHBondContact NZ-OD1 2.72Å; K24-D28 IonicContact NZ-OD2 3.62Å; K24-D28 PolarHBondContact NZ-OD2 3.47Å; K24-D28 WeakPolarHBondContact O-CB 2.9Å; K24-D28 PolarHBondContact O-N 3.23Å
25L88.9Confident80.1Confident0 Ų082.9 Ų82.90%044%0.439CS..Hα-helixtrans-59.4-46.3172.3-71.4169.2000110.8Y20 T21 E22 D27 D28 L29 A40 E43 L44 L47 L57Y20-L25 HydrophobicContact CD1-CD2 3.63Å; Y20-L25 HydrophobicContact CD1-CG 4.07Å; Y20-L25 HydrophobicContact CE1-CD2 4.4Å; Y20-L25 HydrophobicContact CG-CD2 3.98Å; Y20-L25 HydrophobicContact CG-CG 4.37Å; T21-L25 PolarHBondContact O-N 2.99Å; E22-L25 PolarHBondContact O-N 3.44Å; L25-D27 VanDerWaalsContact C-N 3.35Å; L25-D27 PolarHBondContact O-N 3.38Å; L25-D28 PolarHBondContact O-N 3.16Å; L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.39Å; L25-L29 WeakPolarHBondContact O-CD1 3.23Å; L25-L29 WeakPolarHBondContact O-CG 3.27Å; L25-L29 PolarHBondContact O-N 3.14Å; L25-A40 HydrophobicContact CD2-CB 4.46Å; L25-E43 HydrophobicContact CD2-CB 4.2Å; L25-E43 HydrophobicContact CD2-CG 4.23Å; L25-L44 HydrophobicContact CD1-CD1 4.43Å; L25-L47 HydrophobicContact CD1-CD1 3.83Å; L25-L57 HydrophobicContact CB-CD1 3.92Å; L25-L57 HydrophobicContact CD1-CD1 4.05Å
26K89.6Confident81.9Confident79 Ų7978.3 Ų78.334%0.34340%0.404SS..Hα-helixtrans-58-46.2178.3-171.4177.2-179.2179.30112.1E22 Q23 K24 Q30 L57 T60E22-K26 WeakPolarHBondContact O-CB 3.36Å; E22-K26 PolarHBondContact O-N 3.36Å; Q23-K26 WeakPolarHBondContact O-CB 3.34Å; Q23-K26 PolarHBondContact O-N 3.44Å; K24-K26 VanDerWaalsContact C-N 3.33Å; K26-Q30 WeakPolarHBondContact O-CB 3.44Å; K26-Q30 VanDerWaalsContact O-CG 3.25Å; K26-Q30 WeakPolarHBondContact O-CG 3.47Å; K26-Q30 PolarHBondContact O-N 3.08Å; K26-Q30 VanDerWaalsContact O-N 3.13Å; K26-L57 HydrophobicContact CB-CD2 3.77Å; K26-L57 HydrophobicContact CG-CD2 4.25Å; K26-T60 HydrophobicContact CG-CG2 4.11Å
27D90.3Very high83.8Confident76 Ų7670.7 Ų70.741%0.40637%0.369SS..Hα-helixtrans-67.3-41.9-179.9-65.2-19.1000111.7Q23 K24 L25 Q30 N31Q23-D27 VanDerWaalsContact O-CG 3.27Å; Q23-D27 PolarHBondContact O-N 3.37Å; K24-D27 PolarHBondContact O-N 3.44Å; L25-D27 VanDerWaalsContact C-N 3.35Å; L25-D27 PolarHBondContact O-N 3.38Å; D27-Q30 PolarHBondContact O-N 3.27Å; D27-N31 PolarHBondContact O-N 3.39Å; D27-N31 VanDerWaalsContact O-N 3.13Å
28D91.2Very high85.6Confident15 Ų1571.8 Ų71.88%0.0837%0.369CS..Hα-helixtrans-71.2-33.5179.8-72.6-13.1000112.2K24 L25 Q30 N31 V36 A40K24-D28 WeakPolarHBondContact CE-OD1 3.5Å; K24-D28 WeakPolarHBondContact CE-OD2 3.45Å; K24-D28 IonicContact NZ-OD1 2.96Å; K24-D28 PolarHBondContact NZ-OD1 2.72Å; K24-D28 IonicContact NZ-OD2 3.62Å; K24-D28 PolarHBondContact NZ-OD2 3.47Å; K24-D28 WeakPolarHBondContact O-CB 2.9Å; K24-D28 PolarHBondContact O-N 3.23Å; L25-D28 PolarHBondContact O-N 3.16Å; D28-Q30 VanDerWaalsContact C-N 3.29Å; D28-Q30 PolarHBondContact O-N 3.08Å; D28-N31 WeakPolarHBondContact O-CB 3.25Å; D28-N31 PolarHBondContact O-N 3.47Å; D28-V36 HydrophobicContact CB-CG1 3.73Å; D28-A40 HydrophobicContact CB-CB 3.68Å
29L92.2Very high87.2Confident0 Ų068.7 Ų68.70%036%0.357CS..Hα-helixtrans-69.8-26.3172-67.7166.1000112.4L25 K37 A40 L41 L44 T60 V61 F64 V65L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.39Å; L25-L29 WeakPolarHBondContact O-CD1 3.23Å; L25-L29 WeakPolarHBondContact O-CG 3.27Å; L25-L29 PolarHBondContact O-N 3.14Å; L29-K37 WeakPolarHBondContact O-CE 3.46Å; L29-A40 HydrophobicContact CD2-CB 3.87Å; L29-A40 HydrophobicContact CG-CB 3.98Å; L29-L41 HydrophobicContact CD2-CB 4.2Å; L29-L44 HydrophobicContact CD1-CD2 4.06Å; L29-T60 HydrophobicContact CB-CG2 4.04Å; L29-V61 HydrophobicContact CD1-CG2 4.12Å; L29-F64 WeakPolarHBondContact O-CB 3.38Å; L29-V65 HydrophobicContact CB-CG2 4.11Å; L29-V65 HydrophobicContact CD2-CG2 3.81Å
30Q92.1Very high88.6Confident76 Ų7662.1 Ų62.136%0.35532%0.316SS..Hα-helixtrans-83.9-12174.8-73.7178.228.900113.4K26 D27 D28 T60 F64K26-Q30 WeakPolarHBondContact O-CB 3.44Å; K26-Q30 VanDerWaalsContact O-CG 3.25Å; K26-Q30 WeakPolarHBondContact O-CG 3.47Å; K26-Q30 PolarHBondContact O-N 3.08Å; K26-Q30 VanDerWaalsContact O-N 3.13Å; D27-Q30 PolarHBondContact O-N 3.27Å; D28-Q30 VanDerWaalsContact C-N 3.29Å; D28-Q30 PolarHBondContact O-N 3.08Å; Q30-T60 HydrophobicContact CG-CG2 4.01Å; Q30-F64 HydrophobicContact CB-CD1 4.47Å; Q30-F64 HydrophobicContact CB-CG 4.45Å; Q30-F64 HydrophobicContact CG-CB 4.5Å; Q30-F64 HydrophobicContact CG-CD1 4.1Å; Q30-F64 HydrophobicContact CG-CD2 3.56Å; Q30-F64 HydrophobicContact CG-CE1 4.17Å; Q30-F64 HydrophobicContact CG-CE2 3.63Å; Q30-F64 HydrophobicContact CG-CG 3.8Å; Q30-F64 HydrophobicContact CG-CZ 3.94Å
31N91.3Very high89.7Confident60 Ų6059 Ų5932%0.32130%0.304SS..  trans-59.7146.6-177.6-160.8-68.1000111.9D27 D28 N33 V36 K37D27-N31 PolarHBondContact O-N 3.39Å; D27-N31 VanDerWaalsContact O-N 3.13Å; D28-N31 WeakPolarHBondContact O-CB 3.25Å; D28-N31 PolarHBondContact O-N 3.47Å; N31-N33 VanDerWaalsContact C-N 3.29Å; N31-N33 PolarHBondContact O-N 3.07Å; N31-N33 WeakPolarHBondContact OD1-CB 3.2Å; N31-N33 PolarHBondContact OD1-N 3.27Å; N31-V36 HydrophobicContact CB-CB 4.24Å; N31-V36 HydrophobicContact CB-CG1 3.97Å; N31-K37 WeakPolarHBondContact O-CE 3.47Å; N31-K37 PolarHBondContact O-NZ 3.27Å; N31-K37 VanDerWaalsContact O-NZ 3.12Å
32S87.8Confident90.2Very high116 Ų11659 Ų5981%0.81130%0.296SS*.SBendtrans-73.1-21.217753.10000113.4
33N91.4Very high90.5Very high76 Ų7656.4 Ų56.441%0.40628%0.284SS..  trans-81.6116.9-179.5-173.6-14.7000111.7N31 N35 V36 K37N31-N33 VanDerWaalsContact C-N 3.29Å; N31-N33 PolarHBondContact O-N 3.07Å; N31-N33 WeakPolarHBondContact OD1-CB 3.2Å; N31-N33 PolarHBondContact OD1-N 3.27Å; N33-N35 VanDerWaalsContact C-N 3.25Å; N33-N35 PolarHBondContact O-N 3.28Å; N33-N35 WeakPolarHBondContact OD1-CB 3.35Å; N33-N35 PolarHBondContact OD1-N 3.29Å; N33-V36 HydrophobicContact CB-CB 4.39Å; N33-V36 HydrophobicContact CB-CG2 4Å; N33-V36 PolarHBondContact O-N 2.99Å; N33-V36 VanDerWaalsContact O-N 3.11Å; N33-K37 PolarHBondContact O-N 3.21Å
34D91.2Very high90.8Very high57 Ų5751 Ų5131%0.30526%0.259SS..Hα-helixtrans-59.3-32.3179.5-71.4-38.2000113.1V36 K37 R38 S68 D70 I73D34-V36 VanDerWaalsContact C-N 3.34Å; D34-V36 PolarHBondContact O-N 3.22Å; D34-K37 WeakPolarHBondContact O-CB 3.45Å; D34-K37 PolarHBondContact O-N 3.23Å; D34-R38 WeakPolarHBondContact O-CG 3.4Å; D34-R38 PolarHBondContact O-N 3.37Å; D34-S68 PolarHBondContact OD1-OG 3.45Å; D34-D70 HydrophobicContact CB-CB 4.37Å; D34-I73 HydrophobicContact CB-CD1 3.89Å
35N91.2Very high90.9Very high88 Ų8847.1 Ų47.147%0.47124%0.243SC..Hα-helixtrans-64.9-38.8177.3-71.2-38.5000112.1N33 R38 E39N33-N35 VanDerWaalsContact C-N 3.25Å; N33-N35 PolarHBondContact O-N 3.28Å; N33-N35 WeakPolarHBondContact OD1-CB 3.35Å; N33-N35 PolarHBondContact OD1-N 3.29Å; N35-R38 PolarHBondContact O-N 3.36Å; N35-R38 VanDerWaalsContact OD1-CZ 3.22Å; N35-R38 PolarHBondContact OD1-NH1 3.48Å; N35-R38 PolarHBondContact OD1-NH2 2.99Å; N35-E39 PolarHBondContact O-N 3.43Å
36V91.5Very high90.7Very high43 Ų4348.5 Ų48.526%0.26125%0.248SC..Hα-helixtrans-67-42.5177.5177.70000109.9D28 N31 N33 D34 R38 E39 A40D28-V36 HydrophobicContact CB-CG1 3.73Å; N31-V36 HydrophobicContact CB-CB 4.24Å; N31-V36 HydrophobicContact CB-CG1 3.97Å; N33-V36 HydrophobicContact CB-CB 4.39Å; N33-V36 HydrophobicContact CB-CG2 4Å; N33-V36 PolarHBondContact O-N 2.99Å; N33-V36 VanDerWaalsContact O-N 3.11Å; D34-V36 VanDerWaalsContact C-N 3.34Å; D34-V36 PolarHBondContact O-N 3.22Å; V36-R38 PolarHBondContact O-N 2.9Å; V36-E39 PolarHBondContact O-N 3.36Å; V36-A40 WeakPolarHBondContact O-CB 3.22Å; V36-A40 PolarHBondContact O-N 2.99Å
37K92.9Very high90.5Very high22 Ų2245.3 Ų45.310%0.09623%0.234CC..Hα-helixtrans-59.5-42.2173.8-76.7176.4163.7158.70113L29 N31 N33 D34 A40 L41 F64 I73L29-K37 WeakPolarHBondContact O-CE 3.46Å; N31-K37 WeakPolarHBondContact O-CE 3.47Å; N31-K37 PolarHBondContact O-NZ 3.27Å; N31-K37 VanDerWaalsContact O-NZ 3.12Å; N33-K37 PolarHBondContact O-N 3.21Å; D34-K37 WeakPolarHBondContact O-CB 3.45Å; D34-K37 PolarHBondContact O-N 3.23Å; K37-A40 PolarHBondContact O-N 2.96Å; K37-L41 VanDerWaalsContact O-CB 3.22Å; K37-L41 WeakPolarHBondContact O-CB 3.33Å; K37-L41 PolarHBondContact O-N 3.33Å; K37-F64 WeakPolarHBondContact CE-O 3.3Å; K37-F64 PolarHBondContact NZ-O 3.01Å; K37-I73 HydrophobicContact CB-CD1 3.83Å; K37-I73 HydrophobicContact CD-CD1 4.25Å
38R92Very high90.3Very high61 Ų6142.7 Ų42.723%0.2322%0.22CC..Hα-helixtrans-59.6-48.1177.9-72.7179-150.7155.211.1111.3D34 N35 V36 L41 K42 D70 M72 I73 L76D34-R38 WeakPolarHBondContact O-CG 3.4Å; D34-R38 PolarHBondContact O-N 3.37Å; N35-R38 PolarHBondContact O-N 3.36Å; N35-R38 VanDerWaalsContact OD1-CZ 3.22Å; N35-R38 PolarHBondContact OD1-NH1 3.48Å; N35-R38 PolarHBondContact OD1-NH2 2.99Å; V36-R38 PolarHBondContact O-N 2.9Å; R38-L41 PolarHBondContact O-N 3Å; R38-K42 VanDerWaalsContact O-CG 3.31Å; R38-K42 WeakPolarHBondContact O-CG 3.39Å; R38-K42 PolarHBondContact O-N 2.76Å; R38-D70 IonicContact CZ-OD1 3.98Å; R38-D70 IonicContact CZ-OD2 3.53Å; R38-D70 IonicContact NE-OD1 2.8Å; R38-D70 IonicContact NE-OD2 2.86Å; R38-D70 PolarHBondContact NE-OD2 2.86Å; R38-D70 IonicContact NH2-OD1 3.29Å; R38-D70 PolarHBondContact NH2-OD1 3.32Å; R38-D70 IonicContact NH2-OD2 2.72Å; R38-M72 HydrophobicContact CG-CB 4.39Å; R38-I73 HydrophobicContact CG-CD1 4.34Å; R38-I73 HydrophobicContact CG-CG1 3.6Å; R38-L76 HydrophobicContact CB-CD1 4.05Å; R38-L76 HydrophobicContact CG-CD1 4.22Å
39E91.1Very high90Very high94 Ų9443.7 Ų43.744%0.43923%0.225SC..Hα-helixtrans-67.2-43-179.8-64.1-49.4123.200111.6N35 V36 L41 K42 E43N35-E39 PolarHBondContact O-N 3.43Å; V36-E39 PolarHBondContact O-N 3.36Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.36Å; E39-K42 PolarHBondContact O-N 2.99Å; E39-K42 IonicContact OE1-NZ 3.68Å; E39-K42 PolarHBondContact OE1-NZ 3.33Å; E39-K42 IonicContact OE2-NZ 3.78Å; E39-E43 WeakPolarHBondContact O-CB 3.5Å; E39-E43 PolarHBondContact O-N 3.23Å
40A91.2Very high89.4Confident1 Ų145.8 Ų45.81%0.00824%0.236CC..Hα-helixtrans-62-39.2175.500000112.6L25 D28 L29 V36 K37 E43 L44L25-A40 HydrophobicContact CD2-CB 4.46Å; D28-A40 HydrophobicContact CB-CB 3.68Å; L29-A40 HydrophobicContact CD2-CB 3.87Å; L29-A40 HydrophobicContact CG-CB 3.98Å; V36-A40 WeakPolarHBondContact O-CB 3.22Å; V36-A40 PolarHBondContact O-N 2.99Å; K37-A40 PolarHBondContact O-N 2.96Å; A40-E43 PolarHBondContact O-N 3.24Å; A40-L44 WeakPolarHBondContact O-CB 3.36Å; A40-L44 PolarHBondContact O-N 2.86Å
41L93.3Very high88.6Confident0 Ų044.9 Ų44.90%025%0.247CC..Hα-helixtrans-70.7-40178-175.760.4000112.1L29 K37 R38 E39 E43 L44 I45 V61 V65 L76 L77 F80L29-L41 HydrophobicContact CD2-CB 4.2Å; K37-L41 VanDerWaalsContact O-CB 3.22Å; K37-L41 WeakPolarHBondContact O-CB 3.33Å; K37-L41 PolarHBondContact O-N 3.33Å; R38-L41 PolarHBondContact O-N 3Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.36Å; L41-E43 VanDerWaalsContact C-N 3.3Å; L41-E43 PolarHBondContact O-N 3.49Å; L41-L44 PolarHBondContact O-N 3.45Å; L41-I45 HydrophobicContact CD1-CD1 4.43Å; L41-I45 HydrophobicContact CG-CD1 4.08Å; L41-I45 WeakPolarHBondContact O-CD1 2.99Å; L41-I45 WeakPolarHBondContact O-CG1 3.49Å; L41-I45 PolarHBondContact O-N 3.11Å; L41-V61 HydrophobicContact CD1-CG1 4.49Å; L41-V61 HydrophobicContact CD1-CG2 4.46Å; L41-V65 HydrophobicContact CD2-CG1 4.03Å; L41-L76 HydrophobicContact CD2-CB 3.42Å; L41-L76 VanDerWaalsContact CD2-CB 3.42Å; L41-L76 HydrophobicContact CD2-CD1 4.42Å; L41-L76 HydrophobicContact CG-CB 4.02Å; L41-L77 HydrophobicContact CD2-CD2 4.09Å; L41-L77 HydrophobicContact CD2-CG 4.08Å; L41-F80 HydrophobicContact CD1-CB 4.1Å; L41-F80 HydrophobicContact CD1-CD2 4.06Å; L41-F80 HydrophobicContact CD1-CG 4.08Å
42K91.2Very high88.2Confident88 Ų8846.5 Ų46.538%0.38325%0.253SS..Hα-helixtrans-57.8-45.9172.9-76.5171.9-176.8172.20111.1R38 E39 I45 R46 L76R38-K42 VanDerWaalsContact O-CG 3.31Å; R38-K42 WeakPolarHBondContact O-CG 3.39Å; R38-K42 PolarHBondContact O-N 2.76Å; E39-K42 PolarHBondContact O-N 2.99Å; E39-K42 IonicContact OE1-NZ 3.68Å; E39-K42 PolarHBondContact OE1-NZ 3.33Å; E39-K42 IonicContact OE2-NZ 3.78Å; K42-I45 PolarHBondContact O-N 3.24Å; K42-R46 WeakPolarHBondContact O-CB 3.47Å; K42-R46 PolarHBondContact O-N 2.92Å; K42-L76 HydrophobicContact CG-CD1 3.97Å; K42-L76 HydrophobicContact CG-CD2 3.67Å
43E88.1Confident87.7Confident23 Ų2349.2 Ų49.211%0.10725%0.25CS..Hα-helixtrans-66.4-42.7-179.6-173.365.1-17400111.7Y20 L25 E39 A40 L41 I45 R46 L47Y20-E43 HydrophobicContact CD2-CB 4.4Å; Y20-E43 HydrophobicContact CD2-CG 3.51Å; Y20-E43 HydrophobicContact CE2-CG 4.07Å; Y20-E43 HydrophobicContact CG-CG 3.79Å; L25-E43 HydrophobicContact CD2-CB 4.2Å; L25-E43 HydrophobicContact CD2-CG 4.23Å; E39-E43 WeakPolarHBondContact O-CB 3.5Å; E39-E43 PolarHBondContact O-N 3.23Å; A40-E43 PolarHBondContact O-N 3.24Å; L41-E43 VanDerWaalsContact C-N 3.3Å; L41-E43 PolarHBondContact O-N 3.49Å; E43-I45 VanDerWaalsContact C-N 3.34Å; E43-I45 PolarHBondContact O-N 3.38Å; E43-R46 WeakPolarHBondContact O-CB 3.37Å; E43-R46 PolarHBondContact O-N 3.23Å; E43-R46 VanDerWaalsContact O-N 3.16Å; E43-R46 IonicContact OE1-CZ 3.98Å; E43-R46 IonicContact OE1-NE 3Å; E43-R46 PolarHBondContact OE1-NE 2.87Å; E43-R46 IonicContact OE1-NH2 3.74Å; E43-R46 PolarHBondContact OE1-NH2 3.5Å; E43-R46 IonicContact OE2-CZ 2.95Å; E43-R46 IonicContact OE2-NE 2.83Å; E43-R46 PolarHBondContact OE2-NE 2.7Å; E43-R46 IonicContact OE2-NH2 3.02Å; E43-L47 HydrophobicContact CG-CD1 4.25Å; E43-L47 WeakPolarHBondContact O-CG 3.45Å; E43-L47 PolarHBondContact O-N 3.13Å
44L90.7Very high87.3Confident0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-58.4-44.6174.417958.5000112.2L25 L29 A40 L41 R46 L47 I48 F54 L57 V61 F80L25-L44 HydrophobicContact CD1-CD1 4.43Å; L29-L44 HydrophobicContact CD1-CD2 4.06Å; A40-L44 WeakPolarHBondContact O-CB 3.36Å; A40-L44 PolarHBondContact O-N 2.86Å; L41-L44 PolarHBondContact O-N 3.45Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.35Å; L44-L47 PolarHBondContact O-N 2.93Å; L44-I48 HydrophobicContact CD1-CD1 3.91Å; L44-I48 HydrophobicContact CD1-CG1 4.23Å; L44-I48 HydrophobicContact CG-CD1 3.97Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.38Å; L44-I48 PolarHBondContact O-N 3.42Å; L44-F54 HydrophobicContact CD1-CB 4.06Å; L44-F54 HydrophobicContact CD1-CD2 3.52Å; L44-F54 HydrophobicContact CD1-CE2 4.15Å; L44-F54 HydrophobicContact CD1-CG 3.91Å; L44-L57 HydrophobicContact CD1-CD1 3.66Å; L44-L57 HydrophobicContact CD2-CB 4.27Å; L44-L57 HydrophobicContact CD2-CD1 4.34Å; L44-V61 HydrophobicContact CD2-CG2 3.76Å; L44-F80 HydrophobicContact CD2-CD2 4.2Å; L44-F80 HydrophobicContact CD2-CE2 3.55Å; L44-F80 HydrophobicContact CD2-CZ 4.22Å; L44-F80 HydrophobicContact CG-CD2 4.35Å; L44-F80 HydrophobicContact CG-CE2 3.88Å
45I89.9Confident86.5Confident14 Ų1448.8 Ų48.87%0.07225%0.252CS..Hα-helixtrans-60.1-44.6176.1-67.9161.1000110.4L41 K42 E43 I48 I49 L76 L79 F80 V83L41-I45 HydrophobicContact CD1-CD1 4.43Å; L41-I45 HydrophobicContact CG-CD1 4.08Å; L41-I45 WeakPolarHBondContact O-CD1 2.99Å; L41-I45 WeakPolarHBondContact O-CG1 3.49Å; L41-I45 PolarHBondContact O-N 3.11Å; K42-I45 PolarHBondContact O-N 3.24Å; E43-I45 VanDerWaalsContact C-N 3.34Å; E43-I45 PolarHBondContact O-N 3.38Å; I45-I48 PolarHBondContact O-N 2.97Å; I45-I49 HydrophobicContact CG2-CD1 3.71Å; I45-I49 HydrophobicContact CG2-CG1 4.42Å; I45-I49 WeakPolarHBondContact O-CB 3.46Å; I45-I49 VanDerWaalsContact O-CG1 3.3Å; I45-I49 WeakPolarHBondContact O-CG1 3.29Å; I45-I49 PolarHBondContact O-N 2.95Å; I45-L76 HydrophobicContact CD1-CB 4.35Å; I45-L76 HydrophobicContact CD1-CD2 4.35Å; I45-L76 WeakPolarHBondContact CD1-O 3.5Å; I45-L79 HydrophobicContact CD1-CB 4.07Å; I45-F80 HydrophobicContact CD1-CB 4.08Å; I45-F80 HydrophobicContact CG1-CB 3.87Å; I45-F80 HydrophobicContact CG1-CD2 4.1Å; I45-V83 HydrophobicContact CG2-CG2 4.32Å
46R85.2Confident86.1Confident30 Ų3049.9 Ų49.911%0.11326%0.258CS..Hα-helixtrans-60.1-45.8179.3-168-17876.784.88112V11 K42 E43 L44 I49 N50V11-R46 HydrophobicContact CB-CG 4.19Å; V11-R46 HydrophobicContact CG1-CG 4.32Å; K42-R46 WeakPolarHBondContact O-CB 3.47Å; K42-R46 PolarHBondContact O-N 2.92Å; E43-R46 WeakPolarHBondContact O-CB 3.37Å; E43-R46 PolarHBondContact O-N 3.23Å; E43-R46 VanDerWaalsContact O-N 3.16Å; E43-R46 IonicContact OE1-CZ 3.98Å; E43-R46 IonicContact OE1-NE 3Å; E43-R46 PolarHBondContact OE1-NE 2.87Å; E43-R46 IonicContact OE1-NH2 3.74Å; E43-R46 PolarHBondContact OE1-NH2 3.5Å; E43-R46 IonicContact OE2-CZ 2.95Å; E43-R46 IonicContact OE2-NE 2.83Å; E43-R46 PolarHBondContact OE2-NE 2.7Å; E43-R46 IonicContact OE2-NH2 3.02Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.35Å; R46-I49 PolarHBondContact O-N 3.25Å; R46-N50 PolarHBondContact O-N 3.47Å; R46-N50 VanDerWaalsContact O-N 3.13Å
47L85.7Confident85.9Confident11 Ų1147.9 Ų47.96%0.05825%0.246CC..Hα-helixtrans-66.8-39.8178.8-63.6170.3000111.7L25 E43 L44 N50 G51 E52 F54L25-L47 HydrophobicContact CD1-CD1 3.83Å; E43-L47 HydrophobicContact CG-CD1 4.25Å; E43-L47 WeakPolarHBondContact O-CG 3.45Å; E43-L47 PolarHBondContact O-N 3.13Å; L44-L47 PolarHBondContact O-N 2.93Å; L47-N50 CarbonylContact O-C 3.59Å; L47-N50 PolarHBondContact O-N 3.19Å; L47-G51 PolarHBondContact O-N 3.19Å; L47-E52 HydrophobicContact CB-CB 4.28Å; L47-E52 WeakPolarHBondContact O-CB 3.21Å; L47-E52 PolarHBondContact O-N 3.12Å; L47-F54 HydrophobicContact CB-CE2 3.63Å; L47-F54 HydrophobicContact CB-CZ 4.22Å; L47-F54 HydrophobicContact CD1-CE2 4.04Å; L47-F54 HydrophobicContact CD1-CZ 3.91Å; L47-F54 HydrophobicContact CG-CE2 4.48Å
48I85.9Confident85.6Confident22 Ų2247.2 Ų47.211%0.11324%0.243CC..Hα-helixtrans-64-43.1176.1-67.7169.2000111.7L44 I45 N50 G51 E52 F54 F80 V83L44-I48 HydrophobicContact CD1-CD1 3.91Å; L44-I48 HydrophobicContact CD1-CG1 4.23Å; L44-I48 HydrophobicContact CG-CD1 3.97Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.38Å; L44-I48 PolarHBondContact O-N 3.42Å; I45-I48 PolarHBondContact O-N 2.97Å; I48-N50 PolarHBondContact O-N 3.13Å; I48-G51 PolarHBondContact O-N 3.21Å; I48-E52 WeakPolarHBondContact CA-O 3.45Å; I48-F54 HydrophobicContact CG1-CD2 4.08Å; I48-F80 HydrophobicContact CD1-CD2 4.06Å; I48-F80 HydrophobicContact CD1-CE2 3.49Å; I48-F80 VanDerWaalsContact CD1-CE2 3.49Å; I48-F80 HydrophobicContact CD1-CZ 4.43Å; I48-V83 HydrophobicContact CB-CG2 4.26Å; I48-V83 HydrophobicContact CG2-CB 4.02Å; I48-V83 HydrophobicContact CG2-CG2 3.82Å
49I83.5Confident85.4Confident35 Ų3547.1 Ų47.118%0.17925%0.246CC..Hα-helixtrans-59.4-36.9175.4-74169.4000111.1Y8 I45 R46 G51 V83Y8-I49 HydrophobicContact CG-CG2 4.49Å; I45-I49 HydrophobicContact CG2-CD1 3.71Å; I45-I49 HydrophobicContact CG2-CG1 4.42Å; I45-I49 WeakPolarHBondContact O-CB 3.46Å; I45-I49 VanDerWaalsContact O-CG1 3.3Å; I45-I49 WeakPolarHBondContact O-CG1 3.29Å; I45-I49 PolarHBondContact O-N 2.95Å; R46-I49 PolarHBondContact O-N 3.25Å; I49-G51 PolarHBondContact O-N 3.12Å; I49-V83 HydrophobicContact CD1-CG1 4.1Å; I49-V83 HydrophobicContact CG1-CB 4.32Å; I49-V83 HydrophobicContact CG1-CG1 3.71Å
50N79.7Confident85.3Confident44 Ų4443.1 Ų43.124%0.23523%0.228CC..THydrogen-bonded Turntrans-78.98.2176.6-71.1-16.6000113.8V11 R46 L47 I48V11-N50 PolarHBondContact N-OD1 3.34Å; V11-N50 PolarHBondContact O-ND2 3.13Å; R46-N50 PolarHBondContact O-N 3.47Å; R46-N50 VanDerWaalsContact O-N 3.13Å; L47-N50 CarbonylContact O-C 3.59Å; L47-N50 PolarHBondContact O-N 3.19Å; I48-N50 PolarHBondContact O-N 3.13Å
51G76.4Confident85.3Confident57 Ų5743 Ų4359%0.58823%0.227SC*.THydrogen-bonded Turntrans95.2-0.3172.100000115.5L47 I48 I49L47-G51 PolarHBondContact O-N 3.19Å; I48-G51 PolarHBondContact O-N 3.21Å; I49-G51 PolarHBondContact O-N 3.12Å
52E82.4Confident85.1Confident94 Ų9443.4 Ų43.444%0.43923%0.229SC..  trans-74.5138.2176.3-61.4-172.9-173.200111.3L47 I48 F54L47-E52 HydrophobicContact CB-CB 4.28Å; L47-E52 WeakPolarHBondContact O-CB 3.21Å; L47-E52 PolarHBondContact O-N 3.12Å; I48-E52 WeakPolarHBondContact CA-O 3.45Å; E52-F54 HydrophobicContact CB-CD2 4.41Å; E52-F54 HydrophobicContact CB-CE2 3.6Å; E52-F54 HydrophobicContact CB-CZ 4Å; E52-F54 WeakPolarHBondContact OE2-CZ 3.37Å
53K78.4Confident85Confident173 Ų17346.7 Ų46.775%0.75224%0.239SC*.  trans-110120.5-176.6-63.8-178.1-177.2178.10110.5P55K53-P55 VanDerWaalsContact C-CD 3.45Å; K53-P55 VanDerWaalsContact O-CD 3.3Å; K53-P55 WeakPolarHBondContact O-CD 3.42Å
54F81.7Confident85.1Confident29 Ų2949.5 Ų49.513%0.12725%0.251CS..  trans-120.367.7178.5-60.6-78.8000112.7E22 L44 L47 I48 E52 N56 L57E22-F54 HydrophobicContact CB-CD1 4.28Å; E22-F54 HydrophobicContact CB-CE1 4.16Å; E22-F54 HydrophobicContact CG-CD1 3.95Å; E22-F54 HydrophobicContact CG-CE1 4.34Å; L44-F54 HydrophobicContact CD1-CB 4.06Å; L44-F54 HydrophobicContact CD1-CD2 3.52Å; L44-F54 HydrophobicContact CD1-CE2 4.15Å; L44-F54 HydrophobicContact CD1-CG 3.91Å; L47-F54 HydrophobicContact CB-CE2 3.63Å; L47-F54 HydrophobicContact CB-CZ 4.22Å; L47-F54 HydrophobicContact CD1-CE2 4.04Å; L47-F54 HydrophobicContact CD1-CZ 3.91Å; L47-F54 HydrophobicContact CG-CE2 4.48Å; I48-F54 HydrophobicContact CG1-CD2 4.08Å; E52-F54 HydrophobicContact CB-CD2 4.41Å; E52-F54 HydrophobicContact CB-CE2 3.6Å; E52-F54 HydrophobicContact CB-CZ 4Å; E52-F54 WeakPolarHBondContact OE2-CZ 3.37Å; F54-N56 VanDerWaalsContact C-N 3.26Å; F54-N56 PolarHBondContact O-N 3.27Å; F54-L57 HydrophobicContact CB-CB 3.92Å; F54-L57 HydrophobicContact CB-CD1 3.75Å; F54-L57 HydrophobicContact CB-CG 3.89Å; F54-L57 HydrophobicContact CD1-CD1 3.83Å; F54-L57 HydrophobicContact CD1-CG 4.45Å; F54-L57 HydrophobicContact CG-CD1 3.84Å; F54-L57 HydrophobicContact CG-CG 4.44Å; F54-L57 PolarHBondContact O-N 2.99Å; F54-L57 VanDerWaalsContact O-N 3.13Å
55P74.8Confident85.2Confident95 Ų9549.5 Ų49.562%0.61725%0.251SS*.Hα-helixtrans-60-36-176.924.6-33.2000112.4K53 L57 L58K53-P55 VanDerWaalsContact C-CD 3.45Å; K53-P55 VanDerWaalsContact O-CD 3.3Å; K53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-L57 VanDerWaalsContact C-N 3.29Å; P55-L57 PolarHBondContact O-N 3.21Å; P55-L58 WeakPolarHBondContact O-CB 3.26Å; P55-L58 PolarHBondContact O-N 3.32Å
56N81.9Confident85.2Confident112 Ų11250.3 Ų50.360%0.59926%0.255SS*.Hα-helixtrans-70.2-24.1-179.7-57.5-41.3000113.4E22 F54 T60E22-N56 PolarHBondContact OE1-ND2 3.33Å; F54-N56 VanDerWaalsContact C-N 3.26Å; F54-N56 PolarHBondContact O-N 3.27Å; N56-T60 PolarHBondContact O-OG1 3.28Å
57L87.2Confident85.4Confident1 Ų152.6 Ų52.61%0.00527%0.274CS..Hα-helixtrans-78.8-21.8179.2-64.5-174000112E22 L25 K26 L44 F54 P55 M59 T60 V61E22-L57 HydrophobicContact CG-CD1 4.18Å; E22-L57 HydrophobicContact CG-CD2 4.16Å; E22-L57 HydrophobicContact CG-CG 4.1Å; L25-L57 HydrophobicContact CB-CD1 3.92Å; L25-L57 HydrophobicContact CD1-CD1 4.05Å; K26-L57 HydrophobicContact CB-CD2 3.77Å; K26-L57 HydrophobicContact CG-CD2 4.25Å; L44-L57 HydrophobicContact CD1-CD1 3.66Å; L44-L57 HydrophobicContact CD2-CB 4.27Å; L44-L57 HydrophobicContact CD2-CD1 4.34Å; F54-L57 HydrophobicContact CB-CB 3.92Å; F54-L57 HydrophobicContact CB-CD1 3.75Å; F54-L57 HydrophobicContact CB-CG 3.89Å; F54-L57 HydrophobicContact CD1-CD1 3.83Å; F54-L57 HydrophobicContact CD1-CG 4.45Å; F54-L57 HydrophobicContact CG-CD1 3.84Å; F54-L57 HydrophobicContact CG-CG 4.44Å; F54-L57 PolarHBondContact O-N 2.99Å; F54-L57 VanDerWaalsContact O-N 3.13Å; P55-L57 VanDerWaalsContact C-N 3.29Å; P55-L57 PolarHBondContact O-N 3.21Å; L57-M59 VanDerWaalsContact C-N 3.34Å; L57-M59 PolarHBondContact O-N 2.85Å; L57-T60 CarbonylContact O-C 3.56Å; L57-T60 WeakPolarHBondContact O-CA 3.41Å; L57-T60 WeakPolarHBondContact O-CB 3.1Å; L57-T60 PolarHBondContact O-N 3.5Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 3.2Å
58L87.5Confident85.5Confident8 Ų852.8 Ų52.84%0.04228%0.276CS..Hα-helixtrans-53.4-50.9176.217757.4000111.4P55 T60 V61 I62 F80 W81 V84 L94 E96P55-L58 WeakPolarHBondContact O-CB 3.26Å; P55-L58 PolarHBondContact O-N 3.32Å; L58-T60 VanDerWaalsContact C-N 3.26Å; L58-T60 PolarHBondContact O-N 3.18Å; L58-V61 PolarHBondContact O-N 3.47Å; L58-I62 HydrophobicContact CD1-CD1 3.94Å; L58-I62 HydrophobicContact CD1-CG1 4.33Å; L58-I62 HydrophobicContact CG-CD1 4Å; L58-I62 WeakPolarHBondContact O-CG1 3.41Å; L58-I62 PolarHBondContact O-N 3Å; L58-F80 HydrophobicContact CD1-CE1 4.04Å; L58-F80 HydrophobicContact CD1-CZ 4.38Å; L58-W81 HydrophobicContact CD1-CZ3 3.76Å; L58-V84 HydrophobicContact CD1-CG2 4.26Å; L58-L94 HydrophobicContact CD2-CD1 3.91Å; L58-E96 HydrophobicContact CD2-CB 3.95Å; L58-E96 HydrophobicContact CD2-CG 4.25Å; L58-E96 HydrophobicContact CG-CB 4.37Å
59M87.6Confident85.4Confident59 Ų5958 Ų5829%0.29130%0.3SS..Hα-helixtrans-67.4-28.6179-167.154154.200112.5L57 I62 R63 L99L57-M59 VanDerWaalsContact C-N 3.34Å; L57-M59 PolarHBondContact O-N 2.85Å; M59-I62 HydrophobicContact SD-CB 4.41Å; M59-I62 HydrophobicContact SD-CG2 4.39Å; M59-R63 VanDerWaalsContact CE-NH2 3.35Å; M59-R63 HydrophobicContact CG-CG 4.39Å; M59-R63 WeakPolarHBondContact O-CB 3.13Å; M59-R63 VanDerWaalsContact O-CG 3.27Å; M59-R63 WeakPolarHBondContact O-CG 3.3Å; M59-R63 PolarHBondContact O-N 3Å; M59-R63 HydrophobicContact SD-CG 4.26Å; M59-L99 HydrophobicContact CE-CD1 4.47Å
60T89.5Confident85.7Confident9 Ų957.9 Ų57.96%0.05530%0.3CS..Hα-helixtrans-68.1-45174.6-55.80000110.6K26 L29 Q30 N56 L57 L58 R63 F64K26-T60 HydrophobicContact CG-CG2 4.11Å; L29-T60 HydrophobicContact CB-CG2 4.04Å; Q30-T60 HydrophobicContact CG-CG2 4.01Å; N56-T60 PolarHBondContact O-OG1 3.28Å; L57-T60 CarbonylContact O-C 3.56Å; L57-T60 WeakPolarHBondContact O-CA 3.41Å; L57-T60 WeakPolarHBondContact O-CB 3.1Å; L57-T60 PolarHBondContact O-N 3.5Å; L58-T60 VanDerWaalsContact C-N 3.26Å; L58-T60 PolarHBondContact O-N 3.18Å; T60-R63 PolarHBondContact O-N 3.44Å; T60-F64 HydrophobicContact CG2-CD2 3.89Å; T60-F64 HydrophobicContact CG2-CE2 4.47Å; T60-F64 WeakPolarHBondContact O-CD2 3.32Å; T60-F64 PolarHBondContact O-N 3.23Å
61V91.8Very high86Confident0 Ų060.8 Ų60.80%031%0.312CS..Iπ-helixtrans-61.4-46.5175.5175.40000110.6L29 L41 L44 L57 L58 R63 V65 M66 L77 F80 W81L29-V61 HydrophobicContact CD1-CG2 4.12Å; L41-V61 HydrophobicContact CD1-CG1 4.49Å; L41-V61 HydrophobicContact CD1-CG2 4.46Å; L44-V61 HydrophobicContact CD2-CG2 3.76Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 3.2Å; L58-V61 PolarHBondContact O-N 3.47Å; V61-R63 PolarHBondContact O-N 3.19Å; V61-V65 HydrophobicContact CG1-CB 4.21Å; V61-V65 WeakPolarHBondContact O-CA 3.26Å; V61-V65 WeakPolarHBondContact O-CB 3.34Å; V61-V65 PolarHBondContact O-N 3.36Å; V61-M66 PolarHBondContact O-N 2.96Å; V61-L77 HydrophobicContact CG1-CD2 3.51Å; V61-F80 HydrophobicContact CB-CE1 4.08Å; V61-F80 HydrophobicContact CB-CZ 4.32Å; V61-F80 HydrophobicContact CG1-CD1 3.93Å; V61-F80 HydrophobicContact CG1-CE1 3.78Å; V61-F80 HydrophobicContact CG1-CZ 4.39Å; V61-F80 HydrophobicContact CG2-CE1 4.19Å; V61-F80 HydrophobicContact CG2-CE2 4.41Å; V61-F80 HydrophobicContact CG2-CZ 3.98Å; V61-W81 HydrophobicContact CG1-CH2 4.11Å; V61-W81 HydrophobicContact CG1-CZ2 4.48Å
62I88.8Confident86.6Confident8 Ų862.4 Ų62.44%0.04131%0.305CS..Iπ-helixtrans-60-43177.9-68.6170.7000111.6L58 M59 M66 W81 E96 L99 V100L58-I62 HydrophobicContact CD1-CD1 3.94Å; L58-I62 HydrophobicContact CD1-CG1 4.33Å; L58-I62 HydrophobicContact CG-CD1 4Å; L58-I62 WeakPolarHBondContact O-CG1 3.41Å; L58-I62 PolarHBondContact O-N 3Å; M59-I62 HydrophobicContact SD-CB 4.41Å; M59-I62 HydrophobicContact SD-CG2 4.39Å; I62-M66 HydrophobicContact CG1-SD 4.46Å; I62-M66 HydrophobicContact CG2-CE 3.73Å; I62-M66 HydrophobicContact CG2-SD 4.2Å; I62-M66 WeakPolarHBondContact O-CB 3.38Å; I62-W81 HydrophobicContact CG1-CH2 3.81Å; I62-W81 HydrophobicContact CG1-CZ3 4.42Å; I62-E96 HydrophobicContact CD1-CB 3.78Å; I62-E96 HydrophobicContact CD1-CG 4.42Å; I62-L99 HydrophobicContact CG2-CB 4.19Å; I62-L99 HydrophobicContact CG2-CD1 3.95Å; I62-V100 HydrophobicContact CD1-CG2 3.84Å; I62-V100 HydrophobicContact CG1-CG2 4.1Å
63R88.9Confident87.1Confident156 Ų15657.9 Ų57.959%0.58928%0.284SS*.Iπ-helixtrans-78.2-40.1-176.2-72.6178.2-175.8-173.31.9114M59 T60 V61 P67M59-R63 VanDerWaalsContact CE-NH2 3.35Å; M59-R63 HydrophobicContact CG-CG 4.39Å; M59-R63 WeakPolarHBondContact O-CB 3.13Å; M59-R63 VanDerWaalsContact O-CG 3.27Å; M59-R63 WeakPolarHBondContact O-CG 3.3Å; M59-R63 PolarHBondContact O-N 3Å; M59-R63 HydrophobicContact SD-CG 4.26Å; T60-R63 PolarHBondContact O-N 3.44Å; V61-R63 PolarHBondContact O-N 3.19Å; R63-P67 WeakPolarHBondContact O-CG 3.45Å
64F90.5Very high87.7Confident82 Ų8250.4 Ų50.436%0.3625%0.252SS..Iπ-helixtrans-110.9-21.4-166.5-62.9-79.4000114.5L29 Q30 K37 T60L29-F64 WeakPolarHBondContact O-CB 3.38Å; Q30-F64 HydrophobicContact CB-CD1 4.47Å; Q30-F64 HydrophobicContact CB-CG 4.45Å; Q30-F64 HydrophobicContact CG-CB 4.5Å; Q30-F64 HydrophobicContact CG-CD1 4.1Å; Q30-F64 HydrophobicContact CG-CD2 3.56Å; Q30-F64 HydrophobicContact CG-CE1 4.17Å; Q30-F64 HydrophobicContact CG-CE2 3.63Å; Q30-F64 HydrophobicContact CG-CG 3.8Å; Q30-F64 HydrophobicContact CG-CZ 3.94Å; K37-F64 WeakPolarHBondContact CE-O 3.3Å; K37-F64 PolarHBondContact NZ-O 3.01Å; T60-F64 HydrophobicContact CG2-CD2 3.89Å; T60-F64 HydrophobicContact CG2-CE2 4.47Å; T60-F64 WeakPolarHBondContact O-CD2 3.32Å; T60-F64 PolarHBondContact O-N 3.23Å
65V91.7Very high88Confident0 Ų055.2 Ų55.20%027%0.272CS..Iπ-helixtrans-111.1-44.9-173.4-171.70000111.4L29 L41 V61 P67 S68 I73 L77L29-V65 HydrophobicContact CB-CG2 4.11Å; L29-V65 HydrophobicContact CD2-CG2 3.81Å; L41-V65 HydrophobicContact CD2-CG1 4.03Å; V61-V65 HydrophobicContact CG1-CB 4.21Å; V61-V65 WeakPolarHBondContact O-CA 3.26Å; V61-V65 WeakPolarHBondContact O-CB 3.34Å; V61-V65 PolarHBondContact O-N 3.36Å; V65-P67 VanDerWaalsContact C-CD 3.41Å; V65-P67 VanDerWaalsContact C-N 3.34Å; V65-S68 VanDerWaalsContact O-CB 3.22Å; V65-S68 WeakPolarHBondContact O-CB 3.46Å; V65-S68 PolarHBondContact O-N 3.35Å; V65-I73 HydrophobicContact CG1-CG2 3.39Å; V65-L77 HydrophobicContact CB-CD2 4.49Å; V65-L77 HydrophobicContact CG1-CD1 4.48Å; V65-L77 HydrophobicContact CG1-CD2 4.03Å; V65-L77 HydrophobicContact CG1-CG 4.36Å
66M90.6Very high88.9Confident31 Ų3151.5 Ų51.515%0.15325%0.247CC..THydrogen-bonded Turntrans-54.5-36.4177.7-168.9-179.477.300114.9V61 I62 S68 W81 A103V61-M66 PolarHBondContact O-N 2.96Å; I62-M66 HydrophobicContact CG1-SD 4.46Å; I62-M66 HydrophobicContact CG2-CE 3.73Å; I62-M66 HydrophobicContact CG2-SD 4.2Å; I62-M66 WeakPolarHBondContact O-CB 3.38Å; M66-S68 PolarHBondContact O-N 3.23Å; M66-W81 HydrophobicContact CG-CZ2 4.32Å; M66-W81 HydrophobicContact SD-CZ2 4.19Å; M66-A103 HydrophobicContact CE-CB 4.2Å; M66-A103 HydrophobicContact CG-CB 3.82Å; M66-A103 HydrophobicContact SD-CB 3.45Å; M66-A103 WeakPolarHBondContact SD-CB 3.39Å
67P88.7Confident89.5Confident79 Ų7946.2 Ų46.251%0.51322%0.219SC..THydrogen-bonded Turntrans-74.5-8.5177.1-18.334.2000114.7R63 V65R63-P67 WeakPolarHBondContact O-CG 3.45Å; V65-P67 VanDerWaalsContact C-CD 3.41Å; V65-P67 VanDerWaalsContact C-N 3.34Å
68S87.5Confident89.7Confident15 Ų1546.9 Ų46.911%0.10522%0.222CC..  trans-63.4143.8-179.1-176.40000111.4D34 V65 M66 D70 K74D34-S68 PolarHBondContact OD1-OG 3.45Å; V65-S68 VanDerWaalsContact O-CB 3.22Å; V65-S68 WeakPolarHBondContact O-CB 3.46Å; V65-S68 PolarHBondContact O-N 3.35Å; M66-S68 PolarHBondContact O-N 3.23Å; S68-D70 PolarHBondContact OG-N 3.21Å; S68-K74 WeakPolarHBondContact O-CE 3.28Å
69Q84.5Confident89.8Confident132 Ų13250.2 Ų50.262%0.61724%0.24SC*.  trans-94.6-1.4175.5-59.2-61.7-31.400112.2H71Q69-H71 PolarHBondContact O-N 3Å
70D89.8Confident90Very high32 Ų3247.6 Ų47.617%0.17123%0.227CC..  trans-67.1124.1178.1-179.781.9000111D34 R38 S68 M72 I73 K74D34-D70 HydrophobicContact CB-CB 4.37Å; R38-D70 IonicContact CZ-OD1 3.98Å; R38-D70 IonicContact CZ-OD2 3.53Å; R38-D70 IonicContact NE-OD1 2.8Å; R38-D70 IonicContact NE-OD2 2.86Å; R38-D70 PolarHBondContact NE-OD2 2.86Å; R38-D70 IonicContact NH2-OD1 3.29Å; R38-D70 PolarHBondContact NH2-OD1 3.32Å; R38-D70 IonicContact NH2-OD2 2.72Å; S68-D70 PolarHBondContact OG-N 3.21Å; D70-M72 VanDerWaalsContact C-N 3.27Å; D70-M72 PolarHBondContact O-N 2.97Å; D70-M72 WeakPolarHBondContact OD2-CB 3.46Å; D70-M72 PolarHBondContact OD2-N 2.9Å; D70-M72 VanDerWaalsContact OD2-N 3.14Å; D70-I73 HydrophobicContact CB-CB 4.13Å; D70-I73 HydrophobicContact CB-CD1 4.03Å; D70-I73 HydrophobicContact CB-CG1 4.1Å; D70-I73 PolarHBondContact O-N 2.87Å; D70-I73 WeakPolarHBondContact OD2-CG1 3.49Å; D70-I73 PolarHBondContact OD2-N 3.47Å; D70-K74 WeakPolarHBondContact O-CG 3.48Å; D70-K74 PolarHBondContact O-N 3.21Å
71H86.6Confident90.1Very high105 Ų10547.2 Ų47.249%0.48622%0.224SC..Hα-helixtrans-62.5-33.1-176.1-65.7169.4000113Q69 K74 K75 N112Q69-H71 PolarHBondContact O-N 3Å; H71-K74 PolarHBondContact O-N 2.87Å; H71-K75 PolarHBondContact O-N 3.26Å; H71-N112 PolarHBondContact CE1-ND2 3.4Å; H71-N112 PolarHBondContact NE2-ND2 3.44Å; H71-N112 VanDerWaalsContact NE2-ND2 3.16Å
72M88.6Confident89.9Confident90 Ų9049.4 Ų49.444%0.44323%0.234SC..Hα-helixtrans-73.3-41.5179.4-71.2-61.2-63.900111R38 D70 K74 K75 L76R38-M72 HydrophobicContact CG-CB 4.39Å; D70-M72 VanDerWaalsContact C-N 3.27Å; D70-M72 PolarHBondContact O-N 2.97Å; D70-M72 WeakPolarHBondContact OD2-CB 3.46Å; D70-M72 PolarHBondContact OD2-N 2.9Å; D70-M72 VanDerWaalsContact OD2-N 3.14Å; M72-K74 VanDerWaalsContact C-N 3.32Å; M72-K74 PolarHBondContact O-N 3.24Å; M72-K75 PolarHBondContact O-N 2.94Å; M72-L76 WeakPolarHBondContact O-CG 3.35Å; M72-L76 PolarHBondContact O-N 3.28Å
73I92.2Very high89.8Confident0 Ų049.8 Ų49.80%024%0.237CC..Hα-helixtrans-58.3-45.8171.3-69.2178.3000110.3D34 K37 R38 V65 D70 K75 L76 L77D34-I73 HydrophobicContact CB-CD1 3.89Å; K37-I73 HydrophobicContact CB-CD1 3.83Å; K37-I73 HydrophobicContact CD-CD1 4.25Å; R38-I73 HydrophobicContact CG-CD1 4.34Å; R38-I73 HydrophobicContact CG-CG1 3.6Å; V65-I73 HydrophobicContact CG1-CG2 3.39Å; D70-I73 HydrophobicContact CB-CB 4.13Å; D70-I73 HydrophobicContact CB-CD1 4.03Å; D70-I73 HydrophobicContact CB-CG1 4.1Å; D70-I73 PolarHBondContact O-N 2.87Å; D70-I73 WeakPolarHBondContact OD2-CG1 3.49Å; D70-I73 PolarHBondContact OD2-N 3.47Å; I73-K75 VanDerWaalsContact C-N 3.33Å; I73-K75 PolarHBondContact O-N 3.48Å; I73-L76 PolarHBondContact O-N 2.9Å; I73-L77 HydrophobicContact CG2-CD1 3.89Å; I73-L77 HydrophobicContact CG2-CG 4.17Å; I73-L77 WeakPolarHBondContact O-CB 3.34Å; I73-L77 VanDerWaalsContact O-CG 3.29Å; I73-L77 WeakPolarHBondContact O-CG 3.46Å; I73-L77 PolarHBondContact O-N 3.05Å
74K90.6Very high89.8Confident16 Ų1642.9 Ų42.97%0.0721%0.212CC..Hα-helixtrans-56.3-45175.6-74.1-74.8-176.81750112.7S68 D70 H71 M72 L77 L78 D107 I115S68-K74 WeakPolarHBondContact O-CE 3.28Å; D70-K74 WeakPolarHBondContact O-CG 3.48Å; D70-K74 PolarHBondContact O-N 3.21Å; H71-K74 PolarHBondContact O-N 2.87Å; M72-K74 VanDerWaalsContact C-N 3.32Å; M72-K74 PolarHBondContact O-N 3.24Å; K74-L77 WeakPolarHBondContact O-CB 3.29Å; K74-L77 PolarHBondContact O-N 3.49Å; K74-L78 PolarHBondContact O-N 2.94Å; K74-D107 IonicContact NZ-OD1 3.75Å; K74-D107 PolarHBondContact NZ-OD1 3.08Å; K74-D107 IonicContact NZ-OD2 2.67Å; K74-D107 PolarHBondContact NZ-OD2 3.26Å; K74-I115 HydrophobicContact CB-CD1 4.48Å; K74-I115 HydrophobicContact CG-CD1 4.35Å
75K89.6Confident89.5Confident130 Ų13042.4 Ų42.457%0.56522%0.218SC*.Hα-helixtrans-63.7-42176.5-172.9177.5178.8-178.90112.4H71 M72 I73 L77 L78 L79H71-K75 PolarHBondContact O-N 3.26Å; M72-K75 PolarHBondContact O-N 2.94Å; I73-K75 VanDerWaalsContact C-N 3.33Å; I73-K75 PolarHBondContact O-N 3.48Å; K75-L77 VanDerWaalsContact C-N 3.34Å; K75-L78 PolarHBondContact O-N 3.32Å; K75-L79 PolarHBondContact O-N 3.37Å
76L92.7Very high89.3Confident16 Ų1643.3 Ų43.38%0.08422%0.221CC..Hα-helixtrans-66.5-36.8176.4-70.3171000111.7R38 L41 K42 I45 M72 I73 L78 L79 F80R38-L76 HydrophobicContact CB-CD1 4.05Å; R38-L76 HydrophobicContact CG-CD1 4.22Å; L41-L76 HydrophobicContact CD2-CB 3.42Å; L41-L76 VanDerWaalsContact CD2-CB 3.42Å; L41-L76 HydrophobicContact CD2-CD1 4.42Å; L41-L76 HydrophobicContact CG-CB 4.02Å; K42-L76 HydrophobicContact CG-CD1 3.97Å; K42-L76 HydrophobicContact CG-CD2 3.67Å; I45-L76 HydrophobicContact CD1-CB 4.35Å; I45-L76 HydrophobicContact CD1-CD2 4.35Å; I45-L76 WeakPolarHBondContact CD1-O 3.5Å; M72-L76 WeakPolarHBondContact O-CG 3.35Å; M72-L76 PolarHBondContact O-N 3.28Å; I73-L76 PolarHBondContact O-N 2.9Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 2.8Å; L76-L79 HydrophobicContact CD2-CD1 4.45Å; L76-L79 WeakPolarHBondContact O-CB 3.14Å; L76-L79 PolarHBondContact O-N 3.19Å; L76-L79 VanDerWaalsContact O-N 3.14Å; L76-F80 PolarHBondContact O-N 3.14Å
77L93.8Very high89Confident2 Ų245.8 Ų45.81%0.0123%0.23CC..Hα-helixtrans-59.8-43175.2-76.5168.9000111.1L41 V61 V65 I73 K74 K75 L79 F80 W81L41-L77 HydrophobicContact CD2-CD2 4.09Å; L41-L77 HydrophobicContact CD2-CG 4.08Å; V61-L77 HydrophobicContact CG1-CD2 3.51Å; V65-L77 HydrophobicContact CB-CD2 4.49Å; V65-L77 HydrophobicContact CG1-CD1 4.48Å; V65-L77 HydrophobicContact CG1-CD2 4.03Å; V65-L77 HydrophobicContact CG1-CG 4.36Å; I73-L77 HydrophobicContact CG2-CD1 3.89Å; I73-L77 HydrophobicContact CG2-CG 4.17Å; I73-L77 WeakPolarHBondContact O-CB 3.34Å; I73-L77 VanDerWaalsContact O-CG 3.29Å; I73-L77 WeakPolarHBondContact O-CG 3.46Å; I73-L77 PolarHBondContact O-N 3.05Å; K74-L77 WeakPolarHBondContact O-CB 3.29Å; K74-L77 PolarHBondContact O-N 3.49Å; K75-L77 VanDerWaalsContact C-N 3.34Å; L77-L79 VanDerWaalsContact C-N 3.27Å; L77-L79 PolarHBondContact O-N 3.17Å; L77-F80 WeakPolarHBondContact O-CB 3.47Å; L77-F80 PolarHBondContact O-N 3.47Å; L77-F80 VanDerWaalsContact O-N 3.08Å; L77-W81 HydrophobicContact CD2-CZ2 3.9Å; L77-W81 PolarHBondContact O-N 3.02Å; L77-W81 PolarHBondContact O-NE1 3.36Å
78L91.4Very high88.6Confident14 Ų1443.9 Ų43.97%0.07322%0.218CC..Hα-helixtrans-58.4-37.8175.3-64.1176.7000112.7K74 K75 L76 E82 T119 F122K74-L78 PolarHBondContact O-N 2.94Å; K75-L78 PolarHBondContact O-N 3.32Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 2.8Å; L78-E82 PolarHBondContact O-N 3.37Å; L78-T119 HydrophobicContact CD2-CG2 4.32Å; L78-F122 HydrophobicContact CB-CB 4.27Å; L78-F122 HydrophobicContact CB-CG 4.39Å; L78-F122 HydrophobicContact CD1-CB 4.49Å; L78-F122 HydrophobicContact CD2-CB 4.06Å; L78-F122 HydrophobicContact CD2-CD1 3.89Å; L78-F122 HydrophobicContact CD2-CG 3.98Å; L78-F122 WeakPolarHBondContact O-CD2 3.43Å
79L90.3Very high88.2Confident79 Ų7949.8 Ų49.841%0.41426%0.26SS..Hα-helixtrans-69.3-41.6173.7-63.4174.8000111.7I45 K75 L76 L77 W81 E82 V83I45-L79 HydrophobicContact CD1-CB 4.07Å; K75-L79 PolarHBondContact O-N 3.37Å; L76-L79 HydrophobicContact CD2-CD1 4.45Å; L76-L79 WeakPolarHBondContact O-CB 3.14Å; L76-L79 PolarHBondContact O-N 3.19Å; L76-L79 VanDerWaalsContact O-N 3.14Å; L77-L79 VanDerWaalsContact C-N 3.27Å; L77-L79 PolarHBondContact O-N 3.17Å; L79-W81 VanDerWaalsContact C-N 3.33Å; L79-W81 PolarHBondContact O-N 3.33Å; L79-E82 WeakPolarHBondContact O-CB 3.22Å; L79-E82 PolarHBondContact O-N 3.45Å; L79-V83 PolarHBondContact O-N 3.44Å
80F92.3Very high87.9Confident3 Ų348.2 Ų48.21%0.01326%0.256CS..Hα-helixtrans-60.4-43.6176.1177.7-101.8000111.8L41 L44 I45 I48 L58 V61 L76 L77 E82 V83 V84L41-F80 HydrophobicContact CD1-CB 4.1Å; L41-F80 HydrophobicContact CD1-CD2 4.06Å; L41-F80 HydrophobicContact CD1-CG 4.08Å; L44-F80 HydrophobicContact CD2-CD2 4.2Å; L44-F80 HydrophobicContact CD2-CE2 3.55Å; L44-F80 HydrophobicContact CD2-CZ 4.22Å; L44-F80 HydrophobicContact CG-CD2 4.35Å; L44-F80 HydrophobicContact CG-CE2 3.88Å; I45-F80 HydrophobicContact CD1-CB 4.08Å; I45-F80 HydrophobicContact CG1-CB 3.87Å; I45-F80 HydrophobicContact CG1-CD2 4.1Å; I48-F80 HydrophobicContact CD1-CD2 4.06Å; I48-F80 HydrophobicContact CD1-CE2 3.49Å; I48-F80 VanDerWaalsContact CD1-CE2 3.49Å; I48-F80 HydrophobicContact CD1-CZ 4.43Å; L58-F80 HydrophobicContact CD1-CE1 4.04Å; L58-F80 HydrophobicContact CD1-CZ 4.38Å; V61-F80 HydrophobicContact CB-CE1 4.08Å; V61-F80 HydrophobicContact CB-CZ 4.32Å; V61-F80 HydrophobicContact CG1-CD1 3.93Å; V61-F80 HydrophobicContact CG1-CE1 3.78Å; V61-F80 HydrophobicContact CG1-CZ 4.39Å; V61-F80 HydrophobicContact CG2-CE1 4.19Å; V61-F80 HydrophobicContact CG2-CE2 4.41Å; V61-F80 HydrophobicContact CG2-CZ 3.98Å; L76-F80 PolarHBondContact O-N 3.14Å; L77-F80 WeakPolarHBondContact O-CB 3.47Å; L77-F80 PolarHBondContact O-N 3.47Å; L77-F80 VanDerWaalsContact O-N 3.08Å; F80-E82 VanDerWaalsContact C-N 3.26Å; F80-E82 PolarHBondContact O-N 3.42Å; F80-V83 WeakPolarHBondContact O-CG2 3.35Å; F80-V83 PolarHBondContact O-N 2.92Å; F80-V84 HydrophobicContact CE1-CB 4.29Å; F80-V84 HydrophobicContact CE1-CG1 4.43Å; F80-V84 HydrophobicContact CE1-CG2 4.32Å; F80-V84 HydrophobicContact CZ-CB 4.22Å; F80-V84 HydrophobicContact CZ-CG2 3.98Å; F80-V84 WeakPolarHBondContact O-CB 3.33Å; F80-V84 WeakPolarHBondContact O-CG1 3.42Å; F80-V84 PolarHBondContact O-N 2.92Å
81W91.1Very high87.5Confident2 Ų249.1 Ų49.11%0.00827%0.272CS..Hα-helixtrans-64.9-29.4177.3-59.4137.2000112.9L58 V61 I62 M66 L77 L79 V84 K86 V100 Y104 F122L58-W81 HydrophobicContact CD1-CZ3 3.76Å; V61-W81 HydrophobicContact CG1-CH2 4.11Å; V61-W81 HydrophobicContact CG1-CZ2 4.48Å; I62-W81 HydrophobicContact CG1-CH2 3.81Å; I62-W81 HydrophobicContact CG1-CZ3 4.42Å; M66-W81 HydrophobicContact CG-CZ2 4.32Å; M66-W81 HydrophobicContact SD-CZ2 4.19Å; L77-W81 HydrophobicContact CD2-CZ2 3.9Å; L77-W81 PolarHBondContact O-N 3.02Å; L77-W81 PolarHBondContact O-NE1 3.36Å; L79-W81 VanDerWaalsContact C-N 3.33Å; L79-W81 PolarHBondContact O-N 3.33Å; W81-V84 HydrophobicContact CE3-CG1 4.1Å; W81-K86 WeakPolarHBondContact O-CE 3.38Å; W81-K86 PolarHBondContact O-NZ 3.24Å; W81-V100 HydrophobicContact CD2-CG1 3.61Å; W81-V100 HydrophobicContact CE3-CG1 3.72Å; W81-V100 HydrophobicContact CE3-CG2 4.16Å; W81-V100 HydrophobicContact CG-CG1 4.18Å; W81-V100 HydrophobicContact CH2-CG1 4.12Å; W81-V100 HydrophobicContact CH2-CG2 3.76Å; W81-V100 HydrophobicContact CZ2-CG1 3.98Å; W81-V100 HydrophobicContact CZ2-CG2 4.33Å; W81-V100 HydrophobicContact CZ3-CG1 3.97Å; W81-V100 HydrophobicContact CZ3-CG2 3.63Å; W81-Y104 HydrophobicContact CB-CE1 4.23Å; W81-Y104 WeakPolarHBondContact CB-OH 3.4Å; W81-Y104 AromaticContact CD1-CE1 3.56Å; W81-Y104 HydrophobicContact CD2-CE1 4.49Å; W81-Y104 AromaticContact CG-CE1 3.85Å; W81-Y104 HydrophobicContact CG-CE1 3.85Å; W81-F122 HydrophobicContact CB-CE1 4.48Å; W81-F122 HydrophobicContact CB-CE2 3.75Å; W81-F122 HydrophobicContact CB-CZ 3.6Å
82E87.8Confident87.4Confident45 Ų4551 Ų5121%0.2128%0.279CS..Hα-helixtrans-64.9-48.4173.8-169.7174.4156.100110.5L78 L79 F80 K86 F122 K125L78-E82 PolarHBondContact O-N 3.37Å; L79-E82 WeakPolarHBondContact O-CB 3.22Å; L79-E82 PolarHBondContact O-N 3.45Å; F80-E82 VanDerWaalsContact C-N 3.26Å; F80-E82 PolarHBondContact O-N 3.42Å; E82-K86 PolarHBondContact O-NZ 3.4Å; E82-F122 HydrophobicContact CB-CD2 4.41Å; E82-F122 HydrophobicContact CB-CE2 4.22Å; E82-K125 HydrophobicContact CG-CD 4.27Å; E82-K125 WeakPolarHBondContact OE1-CD 3.4Å; E82-K125 IonicContact OE1-NZ 3.2Å; E82-K125 PolarHBondContact OE1-NZ 3.02Å; E82-K125 VanDerWaalsContact OE2-CD 3.24Å; E82-K125 WeakPolarHBondContact OE2-CD 3.22Å; E82-K125 IonicContact OE2-NZ 3.47Å; E82-K125 PolarHBondContact OE2-NZ 2.94Å
83V86.8Confident87.2Confident16 Ų1649 Ų4910%0.09727%0.27CS..Hα-helixtrans-86.8-24.7-170.4-57.50000115Y8 I45 I48 I49 L79 F80Y8-V83 HydrophobicContact CD1-CG1 4.48Å; Y8-V83 HydrophobicContact CE1-CG1 4Å; I45-V83 HydrophobicContact CG2-CG2 4.32Å; I48-V83 HydrophobicContact CB-CG2 4.26Å; I48-V83 HydrophobicContact CG2-CB 4.02Å; I48-V83 HydrophobicContact CG2-CG2 3.82Å; I49-V83 HydrophobicContact CD1-CG1 4.1Å; I49-V83 HydrophobicContact CG1-CB 4.32Å; I49-V83 HydrophobicContact CG1-CG1 3.71Å; L79-V83 PolarHBondContact O-N 3.44Å; F80-V83 WeakPolarHBondContact O-CG2 3.35Å; F80-V83 PolarHBondContact O-N 2.92Å
84V88.7Confident86.9Confident11 Ų1150.7 Ų50.77%0.06728%0.279CS..SBendtrans-69.6139.4-17573.10000111.6L58 F80 W81 K86L58-V84 HydrophobicContact CD1-CG2 4.26Å; F80-V84 HydrophobicContact CE1-CB 4.29Å; F80-V84 HydrophobicContact CE1-CG1 4.43Å; F80-V84 HydrophobicContact CE1-CG2 4.32Å; F80-V84 HydrophobicContact CZ-CB 4.22Å; F80-V84 HydrophobicContact CZ-CG2 3.98Å; F80-V84 WeakPolarHBondContact O-CB 3.33Å; F80-V84 WeakPolarHBondContact O-CG1 3.42Å; F80-V84 PolarHBondContact O-N 2.92Å; W81-V84 HydrophobicContact CE3-CG1 4.1Å; V84-K86 PolarHBondContact O-N 2.86Å; V84-K86 PolarHBondContact O-NZ 3.47Å
85P84.5Confident86.4Confident73 Ų7357 Ų5747%0.47431%0.309SS..  trans-60.9133.2171.5-2333.7000111.6L94P85-L94 WeakPolarHBondContact O-CD1 3.12Å
86K87.1Confident86.2Confident18 Ų1854 Ų548%0.07830%0.296CS..  trans-107-20.9-174.4-63.2159.9-172.767.10112.9W81 E82 V84 L93 L94 M97 L126 E128W81-K86 WeakPolarHBondContact O-CE 3.38Å; W81-K86 PolarHBondContact O-NZ 3.24Å; E82-K86 PolarHBondContact O-NZ 3.4Å; V84-K86 PolarHBondContact O-N 2.86Å; V84-K86 PolarHBondContact O-NZ 3.47Å; K86-L93 HydrophobicContact CB-CD1 4.43Å; K86-L94 WeakPolarHBondContact O-CG 3.09Å; K86-L94 PolarHBondContact O-N 3.31Å; K86-M97 HydrophobicContact CD-CE 4.12Å; K86-M97 HydrophobicContact CG-CE 3.7Å; K86-M97 HydrophobicContact CG-SD 4.1Å; K86-L126 HydrophobicContact CD-CD1 4.32Å; K86-E128 HydrophobicContact CB-CG 4.19Å; K86-E128 HydrophobicContact CD-CG 3.87Å; K86-E128 VanDerWaalsContact CD-OE1 3.3Å; K86-E128 WeakPolarHBondContact CD-OE1 3.34Å; K86-E128 VanDerWaalsContact CD-OE2 3.23Å; K86-E128 WeakPolarHBondContact CD-OE2 3.43Å
87Y84.7Confident85.9Confident84 Ų8453.2 Ų53.233%0.32929%0.292SS..BIsolated β-bridgetrans-104.9143.5174.5-63.5-85.9000110.2G91 K92 L93 E128 E130Y87-G91 VanDerWaalsContact CD1-O 3.31Å; Y87-G91 WeakPolarHBondContact CD1-O 3.42Å; Y87-K92 CarbonylContact C-O 3.37Å; Y87-K92 WeakPolarHBondContact CA-O 3.37Å; Y87-L93 HydrophobicContact CD1-CB 4.46Å; Y87-L93 HydrophobicContact CE1-CB 4.32Å; Y87-L93 HydrophobicContact CE1-CD1 4.29Å; Y87-E128 HydrophobicContact CE2-CG 3.62Å; Y87-E130 PolarHBondContact OH-OE2 2.66Å
88S80.9Confident85.3Confident39 Ų3957.7 Ų57.727%0.27332%0.315SS..  trans-72.2170.7168.237.90000111.2D90 G91 K92S88-D90 WeakPolarHBondContact CB-OD1 3.31Å; S88-D90 PolarHBondContact O-N 2.95Å; S88-D90 VanDerWaalsContact O-N 3.1Å; S88-D90 PolarHBondContact OG-OD1 2.94Å; S88-G91 PolarHBondContact O-N 2.97Å; S88-K92 PolarHBondContact N-O 3.36Å; S88-K92 PolarHBondContact OG-O 3.13Å
89S77.8Confident85Confident139 Ų13961 Ų6197%0.97233%0.333SS*.THydrogen-bonded Turntrans-60.7-17.9179.748.50000114.4
90D79.8Confident84.8Confident99 Ų9957.3 Ų57.353%0.52931%0.313SS..THydrogen-bonded Turntrans-90.23.2174.268.1-26.5000113.5S88 K92S88-D90 WeakPolarHBondContact CB-OD1 3.31Å; S88-D90 PolarHBondContact O-N 2.95Å; S88-D90 VanDerWaalsContact O-N 3.1Å; S88-D90 PolarHBondContact OG-OD1 2.94Å; D90-K92 PolarHBondContact OD1-N 3.48Å; D90-K92 WeakPolarHBondContact OD2-CD 3.37Å
91G79.6Confident84.6Confident51 Ų5157.7 Ų57.753%0.52632%0.316SS..SBendtrans80.88.317800000114.9Y87 S88Y87-G91 VanDerWaalsContact CD1-O 3.31Å; Y87-G91 WeakPolarHBondContact CD1-O 3.42Å; S88-G91 PolarHBondContact O-N 2.97Å
92K84.7Confident84.4Confident143 Ų14360.9 Ų60.962%0.62233%0.333SS*.PPolyproline II helixtrans-89.6149.7175-65.6-175.5-173.8168.90111.5Y87 S88 D90 L94Y87-K92 CarbonylContact C-O 3.37Å; Y87-K92 WeakPolarHBondContact CA-O 3.37Å; S88-K92 PolarHBondContact N-O 3.36Å; S88-K92 PolarHBondContact OG-O 3.13Å; D90-K92 PolarHBondContact OD1-N 3.48Å; D90-K92 WeakPolarHBondContact OD2-CD 3.37Å; K92-L94 PolarHBondContact O-N 3Å
93L84.6Confident84.5Confident48 Ų4859 Ų5925%0.25133%0.326SS..BIsolated β-bridgetrans-64.5133.3174.8-171.376.7000109.9K86 Y87 H95 M97 E130 L131K86-L93 HydrophobicContact CB-CD1 4.43Å; Y87-L93 HydrophobicContact CD1-CB 4.46Å; Y87-L93 HydrophobicContact CE1-CB 4.32Å; Y87-L93 HydrophobicContact CE1-CD1 4.29Å; L93-H95 PolarHBondContact O-N 3.26Å; L93-M97 HydrophobicContact CD1-CB 4.34Å; L93-M97 HydrophobicContact CD1-CG 4.33Å; L93-M97 HydrophobicContact CG-CB 4.2Å; L93-E130 HydrophobicContact CD2-CB 4.07Å; L93-L131 HydrophobicContact CD1-CD1 4.37Å; L93-L131 HydrophobicContact CD1-CD2 4.34Å; L93-L131 HydrophobicContact CD1-CG 4.21Å; L93-L131 HydrophobicContact CD2-CD2 3.83Å; L93-L131 HydrophobicContact CD2-CG 4.33Å
94L85.8Confident84.7Confident37 Ų3758.3 Ų58.319%0.19432%0.321CS..PPolyproline II helixtrans-60.5134.7177.1-71173.9000110.7L58 P85 K86 K92 E96 M97L58-L94 HydrophobicContact CD2-CD1 3.91Å; P85-L94 WeakPolarHBondContact O-CD1 3.12Å; K86-L94 WeakPolarHBondContact O-CG 3.09Å; K86-L94 PolarHBondContact O-N 3.31Å; K92-L94 PolarHBondContact O-N 3Å; L94-E96 PolarHBondContact O-N 3.46Å; L94-M97 HydrophobicContact CB-CB 4.45Å; L94-M97 WeakPolarHBondContact O-CB 3.36Å; L94-M97 PolarHBondContact O-N 3.26Å
95H81.6Confident84.9Confident149 Ų14963.6 Ų63.669%0.6934%0.34SS*.THydrogen-bonded Turntrans-65-30.2-179.4-158.472.7000111.4L93 M97 I98L93-H95 PolarHBondContact O-N 3.26Å; H95-M97 PolarHBondContact O-N 3.36Å; H95-I98 WeakPolarHBondContact O-CB 3.43Å; H95-I98 WeakPolarHBondContact O-CG1 3.34Å; H95-I98 PolarHBondContact O-N 2.97Å
96E85Confident85.2Confident66 Ų6666.2 Ų66.231%0.30834%0.344SS..Hα-helixtrans-55.1-32.6170.9-65.785.5170.200112.1L58 I62 L94 I98 L99 V100L58-E96 HydrophobicContact CD2-CB 3.95Å; L58-E96 HydrophobicContact CD2-CG 4.25Å; L58-E96 HydrophobicContact CG-CB 4.37Å; I62-E96 HydrophobicContact CD1-CB 3.78Å; I62-E96 HydrophobicContact CD1-CG 4.42Å; L94-E96 PolarHBondContact O-N 3.46Å; E96-I98 PolarHBondContact O-N 3.15Å; E96-L99 WeakPolarHBondContact O-CB 2.93Å; E96-L99 PolarHBondContact O-N 2.84Å; E96-L99 VanDerWaalsContact O-N 3.07Å; E96-V100 PolarHBondContact O-N 3.17Å
97M86.5Confident85.4Confident0 Ų065.6 Ų65.60%034%0.341CS..Hα-helixtrans-68.6-19.9-176.2-144.765.2-168.100112.8K86 L93 L94 H95 L99 V100 C101 Y104 L131K86-M97 HydrophobicContact CD-CE 4.12Å; K86-M97 HydrophobicContact CG-CE 3.7Å; K86-M97 HydrophobicContact CG-SD 4.1Å; L93-M97 HydrophobicContact CD1-CB 4.34Å; L93-M97 HydrophobicContact CD1-CG 4.33Å; L93-M97 HydrophobicContact CG-CB 4.2Å; L94-M97 HydrophobicContact CB-CB 4.45Å; L94-M97 WeakPolarHBondContact O-CB 3.36Å; L94-M97 PolarHBondContact O-N 3.26Å; H95-M97 PolarHBondContact O-N 3.36Å; M97-L99 VanDerWaalsContact C-N 3.35Å; M97-V100 HydrophobicContact CE-CB 4.28Å; M97-V100 HydrophobicContact CE-CG1 4.05Å; M97-V100 WeakPolarHBondContact O-CB 3.37Å; M97-V100 PolarHBondContact O-N 3.2Å; M97-V100 HydrophobicContact SD-CB 4.16Å; M97-V100 HydrophobicContact SD-CG1 4.5Å; M97-V100 HydrophobicContact SD-CG2 4.03Å; M97-C101 PolarHBondContact O-N 2.7Å; M97-Y104 VanDerWaalsContact CE-OH 3.26Å; M97-Y104 WeakPolarHBondContact CE-OH 3.45Å; M97-L131 HydrophobicContact CB-CD2 4Å; M97-L131 HydrophobicContact CE-CD1 3.73Å; M97-L131 HydrophobicContact CG-CD1 3.49Å; M97-L131 VanDerWaalsContact CG-CD1 3.49Å; M97-L131 HydrophobicContact CG-CD2 3.55Å; M97-L131 HydrophobicContact CG-CG 4.12Å; M97-L131 HydrophobicContact SD-CD1 4.49Å
98I81.1Confident85.9Confident95 Ų9561.6 Ų61.649%0.48733%0.326SS..Hα-helixtrans-64.5-40.6171.7-57.9174.9000110.6H95 E96 V100 C101 D102H95-I98 WeakPolarHBondContact O-CB 3.43Å; H95-I98 WeakPolarHBondContact O-CG1 3.34Å; H95-I98 PolarHBondContact O-N 2.97Å; E96-I98 PolarHBondContact O-N 3.15Å; I98-V100 VanDerWaalsContact C-N 3.29Å; I98-V100 PolarHBondContact O-N 2.77Å; I98-C101 WeakPolarHBondContact O-CB 3.29Å; I98-C101 PolarHBondContact O-N 2.74Å; I98-D102 PolarHBondContact O-N 3.02Å
99L83.7Confident86.5Confident85 Ų8563.4 Ų63.445%0.44533%0.33SS..Hα-helixtrans-66.3-36.3175.7-63.2172.3000111.2M59 I62 E96 M97 C101 D102 A103M59-L99 HydrophobicContact CE-CD1 4.47Å; I62-L99 HydrophobicContact CG2-CB 4.19Å; I62-L99 HydrophobicContact CG2-CD1 3.95Å; E96-L99 WeakPolarHBondContact O-CB 2.93Å; E96-L99 PolarHBondContact O-N 2.84Å; E96-L99 VanDerWaalsContact O-N 3.07Å; M97-L99 VanDerWaalsContact C-N 3.35Å; L99-C101 VanDerWaalsContact C-N 3.33Å; L99-D102 PolarHBondContact O-N 3.4Å; L99-A103 PolarHBondContact O-N 3.26Å; L99-A103 VanDerWaalsContact O-N 3.14Å
100V87.5Confident87.1Confident0 Ų058 Ų580%029%0.289CS..Hα-helixtrans-67.2-37.6176.3-170.60000110.6I62 W81 E96 M97 I98 D102 A103 Y104I62-V100 HydrophobicContact CD1-CG2 3.84Å; I62-V100 HydrophobicContact CG1-CG2 4.1Å; W81-V100 HydrophobicContact CD2-CG1 3.61Å; W81-V100 HydrophobicContact CE3-CG1 3.72Å; W81-V100 HydrophobicContact CE3-CG2 4.16Å; W81-V100 HydrophobicContact CG-CG1 4.18Å; W81-V100 HydrophobicContact CH2-CG1 4.12Å; W81-V100 HydrophobicContact CH2-CG2 3.76Å; W81-V100 HydrophobicContact CZ2-CG1 3.98Å; W81-V100 HydrophobicContact CZ2-CG2 4.33Å; W81-V100 HydrophobicContact CZ3-CG1 3.97Å; W81-V100 HydrophobicContact CZ3-CG2 3.63Å; E96-V100 PolarHBondContact O-N 3.17Å; M97-V100 HydrophobicContact CE-CB 4.28Å; M97-V100 HydrophobicContact CE-CG1 4.05Å; M97-V100 WeakPolarHBondContact O-CB 3.37Å; M97-V100 PolarHBondContact O-N 3.2Å; M97-V100 HydrophobicContact SD-CB 4.16Å; M97-V100 HydrophobicContact SD-CG1 4.5Å; M97-V100 HydrophobicContact SD-CG2 4.03Å; I98-V100 VanDerWaalsContact C-N 3.29Å; I98-V100 PolarHBondContact O-N 2.77Å; V100-D102 PolarHBondContact O-N 3.25Å; V100-A103 CarbonylContact O-C 3.57Å; V100-A103 WeakPolarHBondContact O-CA 3.27Å; V100-A103 WeakPolarHBondContact O-CB 3.43Å; V100-A103 PolarHBondContact O-N 3.18Å; V100-A103 VanDerWaalsContact O-N 3.08Å; V100-Y104 HydrophobicContact CG1-CD1 4.19Å; V100-Y104 HydrophobicContact CG1-CE1 3.43Å; V100-Y104 VanDerWaalsContact CG1-CE1 3.43Å; V100-Y104 HydrophobicContact CG1-CE2 3.98Å; V100-Y104 VanDerWaalsContact CG1-OH 3.28Å; V100-Y104 WeakPolarHBondContact CG1-OH 2.98Å; V100-Y104 WeakPolarHBondContact O-CD1 3.42Å; V100-Y104 VanDerWaalsContact O-CG 3.32Å; V100-Y104 PolarHBondContact O-N 2.76Å
101C87.9Confident87.6Confident11 Ų1158.2 Ų58.27%0.07430%0.296CS..Hα-helixtrans-59.3-42.7174.1-170.20000112.3M97 I98 L99 A103 Y104 R105 L131M97-C101 PolarHBondContact O-N 2.7Å; I98-C101 WeakPolarHBondContact O-CB 3.29Å; I98-C101 PolarHBondContact O-N 2.74Å; L99-C101 VanDerWaalsContact C-N 3.33Å; C101-A103 VanDerWaalsContact C-N 3.31Å; C101-A103 PolarHBondContact O-N 2.83Å; C101-Y104 WeakPolarHBondContact O-CB 3.42Å; C101-Y104 PolarHBondContact O-N 3.35Å; C101-R105 PolarHBondContact O-N 3.07Å; C101-L131 HydrophobicContact CB-CD2 4.33Å; C101-L131 PolarHBondContact SG-O 3.19Å; C101-L131 VanDerWaalsContact SG-O 3.4Å
102D86.8Confident88.1Confident70 Ų7057.4 Ų57.437%0.37428%0.28SS..Hα-helixtrans-64-35.8173.2-176.862.7000112.3I98 L99 V100 R105 K106I98-D102 PolarHBondContact O-N 3.02Å; L99-D102 PolarHBondContact O-N 3.4Å; V100-D102 PolarHBondContact O-N 3.25Å; D102-R105 WeakPolarHBondContact O-CB 3.29Å; D102-R105 PolarHBondContact O-N 2.96Å; D102-K106 WeakPolarHBondContact O-CG 3.24Å; D102-K106 PolarHBondContact O-N 3.21Å; D102-K106 WeakPolarHBondContact OD2-CE 3.48Å; D102-K106 IonicContact OD2-NZ 2.9Å; D102-K106 PolarHBondContact OD2-NZ 3Å
103A88.9Confident88.5Confident6 Ų652.1 Ų52.15%0.0526%0.257CS..Hα-helixtrans-66-41.6173.700000112.3M66 L99 V100 C101 R105 K106 D107M66-A103 HydrophobicContact CE-CB 4.2Å; M66-A103 HydrophobicContact CG-CB 3.82Å; M66-A103 HydrophobicContact SD-CB 3.45Å; M66-A103 WeakPolarHBondContact SD-CB 3.39Å; L99-A103 PolarHBondContact O-N 3.26Å; L99-A103 VanDerWaalsContact O-N 3.14Å; V100-A103 CarbonylContact O-C 3.57Å; V100-A103 WeakPolarHBondContact O-CA 3.27Å; V100-A103 WeakPolarHBondContact O-CB 3.43Å; V100-A103 PolarHBondContact O-N 3.18Å; V100-A103 VanDerWaalsContact O-N 3.08Å; C101-A103 VanDerWaalsContact C-N 3.31Å; C101-A103 PolarHBondContact O-N 2.83Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 2.85Å; A103-K106 PolarHBondContact O-N 2.92Å; A103-D107 WeakPolarHBondContact O-CB 3.27Å; A103-D107 PolarHBondContact O-N 2.72Å
104Y92.1Very high88.8Confident0 Ų055.3 Ų55.30%027%0.269CS..Hα-helixtrans-58.4-45.9172.8-59.1-26000111.2W81 M97 V100 C101 K106 D107 L108 F122 L126 I135W81-Y104 HydrophobicContact CB-CE1 4.23Å; W81-Y104 WeakPolarHBondContact CB-OH 3.4Å; W81-Y104 AromaticContact CD1-CE1 3.56Å; W81-Y104 HydrophobicContact CD2-CE1 4.49Å; W81-Y104 AromaticContact CG-CE1 3.85Å; W81-Y104 HydrophobicContact CG-CE1 3.85Å; M97-Y104 VanDerWaalsContact CE-OH 3.26Å; M97-Y104 WeakPolarHBondContact CE-OH 3.45Å; V100-Y104 HydrophobicContact CG1-CD1 4.19Å; V100-Y104 HydrophobicContact CG1-CE1 3.43Å; V100-Y104 VanDerWaalsContact CG1-CE1 3.43Å; V100-Y104 HydrophobicContact CG1-CE2 3.98Å; V100-Y104 VanDerWaalsContact CG1-OH 3.28Å; V100-Y104 WeakPolarHBondContact CG1-OH 2.98Å; V100-Y104 WeakPolarHBondContact O-CD1 3.42Å; V100-Y104 VanDerWaalsContact O-CG 3.32Å; V100-Y104 PolarHBondContact O-N 2.76Å; C101-Y104 WeakPolarHBondContact O-CB 3.42Å; C101-Y104 PolarHBondContact O-N 3.35Å; Y104-K106 VanDerWaalsContact C-N 3.35Å; Y104-K106 PolarHBondContact O-N 2.91Å; Y104-D107 PolarHBondContact O-N 3.49Å; Y104-L108 VanDerWaalsContact O-CG 3.3Å; Y104-L108 WeakPolarHBondContact O-CG 3.35Å; Y104-L108 PolarHBondContact O-N 3.29Å; Y104-F122 HydrophobicContact CD1-CE1 4.11Å; Y104-F122 AromaticContact CE1-CE1 3.56Å; Y104-F122 HydrophobicContact CE1-CE1 3.56Å; Y104-F122 AromaticContact CE1-CZ 3.99Å; Y104-F122 HydrophobicContact CE1-CZ 3.99Å; Y104-F122 HydrophobicContact CE2-CE1 4.15Å; Y104-F122 HydrophobicContact CE2-CZ 4.49Å; Y104-F122 AromaticContact CZ-CE1 3.58Å; Y104-F122 AromaticContact CZ-CZ 3.74Å; Y104-F122 WeakPolarHBondContact OH-CZ 3.18Å; Y104-L126 HydrophobicContact CE2-CD2 4.34Å; Y104-I135 HydrophobicContact CD2-CD1 4.35Å
105R92Very high89.1Confident122 Ų12254.2 Ų54.246%0.4626%0.263SS..Hα-helixtrans-57.7-47.2177.2-171-177.6166.2-173.6-2.1111.6C101 D102 A103 D107 L108 Q109 I135C101-R105 PolarHBondContact O-N 3.07Å; D102-R105 WeakPolarHBondContact O-CB 3.29Å; D102-R105 PolarHBondContact O-N 2.96Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 2.85Å; R105-D107 VanDerWaalsContact C-N 3.33Å; R105-D107 PolarHBondContact O-N 2.9Å; R105-L108 PolarHBondContact O-N 3.08Å; R105-Q109 WeakPolarHBondContact O-CG 3.32Å; R105-Q109 PolarHBondContact O-N 2.91Å; R105-Q109 VanDerWaalsContact O-N 3.09Å; R105-I135 HydrophobicContact CB-CG2 3.96Å
106K90.5Very high89.7Confident128 Ų12848.8 Ų48.856%0.55724%0.237SC*.Hα-helixtrans-61.6-40.8176.4-76.1168.9176.7158.20111.9D102 A103 Y104 Q109 H110D102-K106 WeakPolarHBondContact O-CG 3.24Å; D102-K106 PolarHBondContact O-N 3.21Å; D102-K106 WeakPolarHBondContact OD2-CE 3.48Å; D102-K106 IonicContact OD2-NZ 2.9Å; D102-K106 PolarHBondContact OD2-NZ 3Å; A103-K106 PolarHBondContact O-N 2.92Å; Y104-K106 VanDerWaalsContact C-N 3.35Å; Y104-K106 PolarHBondContact O-N 2.91Å; K106-Q109 CarbonylContact O-C 3.58Å; K106-Q109 PolarHBondContact O-N 3.34Å; K106-H110 PolarHBondContact O-N 2.98Å
107D92.1Very high90.1Very high5 Ų545.6 Ų45.63%0.02722%0.222CC..Hα-helixtrans-70.1-34.7179.2-72.7-12.7000112.3K74 A103 Y104 R105 Q109 H110 I115 T119K74-D107 IonicContact NZ-OD1 3.75Å; K74-D107 PolarHBondContact NZ-OD1 3.08Å; K74-D107 IonicContact NZ-OD2 2.67Å; K74-D107 PolarHBondContact NZ-OD2 3.26Å; A103-D107 WeakPolarHBondContact O-CB 3.27Å; A103-D107 PolarHBondContact O-N 2.72Å; Y104-D107 PolarHBondContact O-N 3.49Å; R105-D107 VanDerWaalsContact C-N 3.33Å; R105-D107 PolarHBondContact O-N 2.9Å; D107-Q109 VanDerWaalsContact C-N 3.26Å; D107-Q109 PolarHBondContact O-N 2.9Å; D107-H110 VanDerWaalsContact O-CB 3.23Å; D107-H110 WeakPolarHBondContact O-CB 3.48Å; D107-H110 PolarHBondContact O-N 3.46Å; D107-I115 HydrophobicContact CB-CG2 3.99Å; D107-T119 HydrophobicContact CB-CG2 4.18Å
108L94.3Very high90.4Very high0 Ų047.5 Ų47.50%024%0.235CC..Hα-helixtrans-66.1-27.4170.4-71173.7000112.9Y104 R105 R116 T119 L120 L123 I135 I139Y104-L108 VanDerWaalsContact O-CG 3.3Å; Y104-L108 WeakPolarHBondContact O-CG 3.35Å; Y104-L108 PolarHBondContact O-N 3.29Å; R105-L108 PolarHBondContact O-N 3.08Å; L108-R116 WeakPolarHBondContact O-CD 3.3Å; L108-R116 VanDerWaalsContact O-CG 3.3Å; L108-R116 WeakPolarHBondContact O-CG 3.23Å; L108-R116 PolarHBondContact O-NE 3.08Å; L108-T119 HydrophobicContact CD2-CG2 3.89Å; L108-T119 HydrophobicContact CG-CG2 4Å; L108-L120 HydrophobicContact CD2-CD2 3.59Å; L108-L120 HydrophobicContact CD2-CG 3.71Å; L108-L123 HydrophobicContact CD1-CD1 4.01Å; L108-L123 HydrophobicContact CD2-CD1 3.96Å; L108-L123 HydrophobicContact CG-CD1 4.41Å; L108-I135 HydrophobicContact CD1-CB 4.1Å; L108-I135 HydrophobicContact CD1-CD1 4.32Å; L108-I139 HydrophobicContact CD1-CG1 3.77Å
109Q93.8Very high91Very high77 Ų7743 Ų4336%0.3621%0.212SC..THydrogen-bonded Turntrans-98.73.9177.3-62.9-178.24.700112.8R105 K106 D107 R116 S138R105-Q109 WeakPolarHBondContact O-CG 3.32Å; R105-Q109 PolarHBondContact O-N 2.91Å; R105-Q109 VanDerWaalsContact O-N 3.09Å; K106-Q109 CarbonylContact O-C 3.58Å; K106-Q109 PolarHBondContact O-N 3.34Å; D107-Q109 VanDerWaalsContact C-N 3.26Å; D107-Q109 PolarHBondContact O-N 2.9Å; Q109-R116 PolarHBondContact O-NH2 2.76Å; Q109-S138 PolarHBondContact NE2-OG 3.23Å
110H91.8Very high91.6Very high26 Ų2638.9 Ų38.912%0.1219%0.191CC..  trans-64.3141.5-173.7-167.8-87.5000112K106 D107 N112 I115 R116K106-H110 PolarHBondContact O-N 2.98Å; D107-H110 VanDerWaalsContact O-CB 3.23Å; D107-H110 WeakPolarHBondContact O-CB 3.48Å; D107-H110 PolarHBondContact O-N 3.46Å; H110-N112 VanDerWaalsContact ND1-CB 3.27Å; H110-N112 WeakPolarHBondContact ND1-CB 3.46Å; H110-N112 PolarHBondContact ND1-N 3.16Å; H110-N112 PolarHBondContact O-N 3.15Å; H110-I115 HydrophobicContact CB-CB 4.41Å; H110-I115 HydrophobicContact CB-CG2 4.02Å; H110-R116 WeakPolarHBondContact O-CG 3.44Å; H110-R116 PolarHBondContact O-NE 3.3Å; H110-R116 PolarHBondContact O-NH2 2.95Å
111P89.2Confident91.9Very high103 Ų10345.7 Ų45.767%0.66922%0.216SC*.SBendtrans-60.6-27.6-179.620.6-32.5000114
112N90.9Very high92.2Very high34 Ų3445.6 Ų45.618%0.18222%0.215CC..  trans-79.9114.9174.1-172.4-16.2000111.8H71 H110 F114 I115 R116H71-N112 PolarHBondContact CE1-ND2 3.4Å; H71-N112 PolarHBondContact NE2-ND2 3.44Å; H71-N112 VanDerWaalsContact NE2-ND2 3.16Å; H110-N112 VanDerWaalsContact ND1-CB 3.27Å; H110-N112 WeakPolarHBondContact ND1-CB 3.46Å; H110-N112 PolarHBondContact ND1-N 3.16Å; H110-N112 PolarHBondContact O-N 3.15Å; N112-F114 VanDerWaalsContact C-N 3.31Å; N112-F114 PolarHBondContact O-N 3.31Å; N112-F114 WeakPolarHBondContact OD1-CB 3.33Å; N112-F114 WeakPolarHBondContact OD1-CD2 3.26Å; N112-F114 PolarHBondContact OD1-N 3.44Å; N112-I115 HydrophobicContact CB-CB 4.41Å; N112-I115 HydrophobicContact CB-CD1 4.08Å; N112-I115 HydrophobicContact CB-CG1 4.24Å; N112-I115 PolarHBondContact O-N 2.88Å; N112-R116 PolarHBondContact O-N 2.82Å
113E92.2Very high92.5Very high32 Ų3242.3 Ų42.315%0.1520%0.197CC..Hα-helixtrans-61.9-29.3178.462.6-150.5-157.600114.9I115 R116 G117 H147 V150E113-I115 VanDerWaalsContact C-N 3.35Å; E113-R116 PolarHBondContact O-N 3.47Å; E113-G117 PolarHBondContact O-N 3.25Å; E113-H147 HydrophobicContact CB-CB 4.29Å; E113-H147 IonicContact OE1-CD2 2.76Å; E113-H147 PolarHBondContact OE1-CD2 3.22Å; E113-H147 VanDerWaalsContact OE1-CD2 3.28Å; E113-H147 IonicContact OE1-CE1 3.75Å; E113-H147 PolarHBondContact OE1-CE1 3.14Å; E113-H147 IonicContact OE1-CG 2.69Å; E113-H147 IonicContact OE1-ND1 3.31Å; E113-H147 IonicContact OE1-NE2 3.08Å; E113-H147 PolarHBondContact OE1-NE2 3.44Å; E113-H147 IonicContact OE2-CD2 3.47Å; E113-H147 PolarHBondContact OE2-CD2 2.92Å; E113-H147 IonicContact OE2-CG 3.9Å; E113-H147 IonicContact OE2-NE2 2.84Å; E113-V150 HydrophobicContact CB-CG2 3.68Å; E113-V150 WeakPolarHBondContact O-CG2 3.37Å
114F91.9Very high92.6Very high116 Ų11643.2 Ų43.251%0.50920%0.203SC..Hα-helixtrans-69.8-35.5176.4-64.2-70.7000111.9N112 S118 Y149N112-F114 VanDerWaalsContact C-N 3.31Å; N112-F114 PolarHBondContact O-N 3.31Å; N112-F114 WeakPolarHBondContact OD1-CB 3.33Å; N112-F114 WeakPolarHBondContact OD1-CD2 3.26Å; N112-F114 PolarHBondContact OD1-N 3.44Å; F114-S118 VanDerWaalsContact O-CB 3.24Å; F114-S118 WeakPolarHBondContact O-CB 3.15Å; F114-S118 PolarHBondContact O-N 2.83Å; F114-S118 PolarHBondContact O-OG 3.39Å; F114-Y149 HydrophobicContact CD1-CD1 4.43Å; F114-Y149 HydrophobicContact CD1-CE1 4.13Å
115I91.5Very high92.4Very high13 Ų1348.6 Ų48.67%0.06723%0.226CC..Hα-helixtrans-66.3-51173.7-68.3175.3000108.7K74 D107 H110 N112 E113 G117 S118 T119K74-I115 HydrophobicContact CB-CD1 4.48Å; K74-I115 HydrophobicContact CG-CD1 4.35Å; D107-I115 HydrophobicContact CB-CG2 3.99Å; H110-I115 HydrophobicContact CB-CB 4.41Å; H110-I115 HydrophobicContact CB-CG2 4.02Å; N112-I115 HydrophobicContact CB-CB 4.41Å; N112-I115 HydrophobicContact CB-CD1 4.08Å; N112-I115 HydrophobicContact CB-CG1 4.24Å; N112-I115 PolarHBondContact O-N 2.88Å; E113-I115 VanDerWaalsContact C-N 3.35Å; I115-G117 PolarHBondContact O-N 3.23Å; I115-S118 PolarHBondContact O-N 3.21Å; I115-T119 WeakPolarHBondContact O-CB 3.41Å; I115-T119 PolarHBondContact O-N 3.36Å; I115-T119 PolarHBondContact O-OG1 3.46Å
116R93.7Very high92.3Very high35 Ų3543.1 Ų43.113%0.13221%0.206CC..Hα-helixtrans-52.2-51.8176.2-64.2-167.9179.5-153.72.1112.2L108 Q109 H110 N112 E113 T119 L120 H145 V150L108-R116 WeakPolarHBondContact O-CD 3.3Å; L108-R116 VanDerWaalsContact O-CG 3.3Å; L108-R116 WeakPolarHBondContact O-CG 3.23Å; L108-R116 PolarHBondContact O-NE 3.08Å; Q109-R116 PolarHBondContact O-NH2 2.76Å; H110-R116 WeakPolarHBondContact O-CG 3.44Å; H110-R116 PolarHBondContact O-NE 3.3Å; H110-R116 PolarHBondContact O-NH2 2.95Å; N112-R116 PolarHBondContact O-N 2.82Å; E113-R116 PolarHBondContact O-N 3.47Å; R116-T119 PolarHBondContact O-N 2.48Å; R116-L120 VanDerWaalsContact O-CG 3.29Å; R116-L120 WeakPolarHBondContact O-CG 3.37Å; R116-L120 PolarHBondContact O-N 3.02Å; R116-H145 PolarHBondContact NH1-CD2 2.97Å; R116-V150 HydrophobicContact CB-CG1 4.06Å; R116-V150 HydrophobicContact CB-CG2 3.99Å
117G93.4Very high92Very high0 Ų042.1 Ų42.10%020%0.201CC..Hα-helixtrans-69.3-33.9-177.700000113.8E113 I115 L120 R121E113-G117 PolarHBondContact O-N 3.25Å; I115-G117 PolarHBondContact O-N 3.23Å; G117-L120 PolarHBondContact O-N 3.01Å; G117-R121 WeakPolarHBondContact O-CB 3.34Å; G117-R121 PolarHBondContact O-N 3.47Å
118S92.8Very high91.8Very high39 Ų3943 Ų4327%0.27321%0.205SC..Hα-helixtrans-67-41.4172.9-59.40000111.2F114 I115 R121 F122F114-S118 VanDerWaalsContact O-CB 3.24Å; F114-S118 WeakPolarHBondContact O-CB 3.15Å; F114-S118 PolarHBondContact O-N 2.83Å; F114-S118 PolarHBondContact O-OG 3.39Å; I115-S118 PolarHBondContact O-N 3.21Å; S118-R121 WeakPolarHBondContact O-CB 3.44Å; S118-R121 PolarHBondContact O-N 2.96Å; S118-F122 PolarHBondContact O-N 3.45Å
119T94.8Very high91.5Very high0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-62.4-47174.8-56.90000110.6L78 D107 L108 I115 R116 R121 F122 L123L78-T119 HydrophobicContact CD2-CG2 4.32Å; D107-T119 HydrophobicContact CB-CG2 4.18Å; L108-T119 HydrophobicContact CD2-CG2 3.89Å; L108-T119 HydrophobicContact CG-CG2 4Å; I115-T119 WeakPolarHBondContact O-CB 3.41Å; I115-T119 PolarHBondContact O-N 3.36Å; I115-T119 PolarHBondContact O-OG1 3.46Å; R116-T119 PolarHBondContact O-N 2.48Å; T119-R121 VanDerWaalsContact C-N 3.26Å; T119-R121 PolarHBondContact O-N 3.1Å; T119-F122 WeakPolarHBondContact O-CA 3.37Å; T119-F122 WeakPolarHBondContact O-CB 3.41Å; T119-F122 PolarHBondContact O-N 2.92Å; T119-F122 VanDerWaalsContact O-N 3.08Å; T119-L123 WeakPolarHBondContact O-CG 3.47Å; T119-L123 PolarHBondContact O-N 2.72Å
120L96.7Very high91.2Very high0 Ų045.7 Ų45.70%022%0.222CC..Hα-helixtrans-56.8-40.1174-72.3164.4000112.3L108 R116 G117 L123 C124 I139 C142 V150 N153 A154 A157L108-L120 HydrophobicContact CD2-CD2 3.59Å; L108-L120 HydrophobicContact CD2-CG 3.71Å; R116-L120 VanDerWaalsContact O-CG 3.29Å; R116-L120 WeakPolarHBondContact O-CG 3.37Å; R116-L120 PolarHBondContact O-N 3.02Å; G117-L120 PolarHBondContact O-N 3.01Å; L120-L123 HydrophobicContact CD2-CD1 4.5Å; L120-L123 PolarHBondContact O-N 3.37Å; L120-C124 PolarHBondContact O-N 3.34Å; L120-I139 HydrophobicContact CD2-CG1 4.44Å; L120-I139 HydrophobicContact CD2-CG2 3.98Å; L120-C142 HydrophobicContact CD1-CB 3.92Å; L120-C142 HydrophobicContact CD2-CB 4.47Å; L120-V150 HydrophobicContact CD1-CG1 3.87Å; L120-V150 WeakPolarHBondContact CD1-O 3.3Å; L120-N153 HydrophobicContact CB-CB 3.86Å; L120-N153 HydrophobicContact CD1-CB 4.22Å; L120-A154 HydrophobicContact CD1-CB 3.87Å; L120-A154 HydrophobicContact CD2-CB 4.25Å; L120-A157 HydrophobicContact CB-CB 4.43Å; L120-A157 HydrophobicContact CD2-CB 4.06Å
121R93.3Very high91.1Very high143 Ų14344.6 Ų44.654%0.5422%0.216SC..Hα-helixtrans-67.3-36.7176.6-170.163.4175.7-114.12.1112.6G117 S118 T119 C124G117-R121 WeakPolarHBondContact O-CB 3.34Å; G117-R121 PolarHBondContact O-N 3.47Å; S118-R121 WeakPolarHBondContact O-CB 3.44Å; S118-R121 PolarHBondContact O-N 2.96Å; T119-R121 VanDerWaalsContact C-N 3.26Å; T119-R121 PolarHBondContact O-N 3.1Å; R121-C124 WeakPolarHBondContact O-CB 3.39Å; R121-C124 PolarHBondContact O-N 2.97Å
122F93.5Very high91.2Very high9 Ų939.7 Ų39.74%0.03918%0.184CC..Hα-helixtrans-63.6-41.1171.6155.9-101.2000111.3L78 W81 E82 Y104 S118 T119 C124 K125 L126L78-F122 HydrophobicContact CB-CB 4.27Å; L78-F122 HydrophobicContact CB-CG 4.39Å; L78-F122 HydrophobicContact CD1-CB 4.49Å; L78-F122 HydrophobicContact CD2-CB 4.06Å; L78-F122 HydrophobicContact CD2-CD1 3.89Å; L78-F122 HydrophobicContact CD2-CG 3.98Å; L78-F122 WeakPolarHBondContact O-CD2 3.43Å; W81-F122 HydrophobicContact CB-CE1 4.48Å; W81-F122 HydrophobicContact CB-CE2 3.75Å; W81-F122 HydrophobicContact CB-CZ 3.6Å; E82-F122 HydrophobicContact CB-CD2 4.41Å; E82-F122 HydrophobicContact CB-CE2 4.22Å; Y104-F122 HydrophobicContact CD1-CE1 4.11Å; Y104-F122 AromaticContact CE1-CE1 3.56Å; Y104-F122 HydrophobicContact CE1-CE1 3.56Å; Y104-F122 AromaticContact CE1-CZ 3.99Å; Y104-F122 HydrophobicContact CE1-CZ 3.99Å; Y104-F122 HydrophobicContact CE2-CE1 4.15Å; Y104-F122 HydrophobicContact CE2-CZ 4.49Å; Y104-F122 AromaticContact CZ-CE1 3.58Å; Y104-F122 AromaticContact CZ-CZ 3.74Å; Y104-F122 WeakPolarHBondContact OH-CZ 3.18Å; S118-F122 PolarHBondContact O-N 3.45Å; T119-F122 WeakPolarHBondContact O-CA 3.37Å; T119-F122 WeakPolarHBondContact O-CB 3.41Å; T119-F122 PolarHBondContact O-N 2.92Å; T119-F122 VanDerWaalsContact O-N 3.08Å; F122-C124 PolarHBondContact O-N 3.41Å; F122-K125 WeakPolarHBondContact O-CA 3.41Å; F122-K125 WeakPolarHBondContact O-CB 3.17Å; F122-K125 PolarHBondContact O-N 3.4Å; F122-L126 HydrophobicContact CZ-CD1 3.94Å
123L92.8Very high91.2Very high1 Ų144.3 Ų44.31%0.00521%0.205CC..Hα-helixtrans-62.9-26.9179.7-65.5176000113.5L108 T119 L120 K125 L126 L132 I135 I139L108-L123 HydrophobicContact CD1-CD1 4.01Å; L108-L123 HydrophobicContact CD2-CD1 3.96Å; L108-L123 HydrophobicContact CG-CD1 4.41Å; T119-L123 WeakPolarHBondContact O-CG 3.47Å; T119-L123 PolarHBondContact O-N 2.72Å; L120-L123 HydrophobicContact CD2-CD1 4.5Å; L120-L123 PolarHBondContact O-N 3.37Å; L123-K125 PolarHBondContact O-N 3.46Å; L123-K125 VanDerWaalsContact O-N 3.1Å; L123-L126 HydrophobicContact CD2-CD2 3.99Å; L123-L126 PolarHBondContact O-N 3.38Å; L123-L132 HydrophobicContact CD2-CD2 4.13Å; L123-I135 HydrophobicContact CD1-CD1 3.9Å; L123-I135 HydrophobicContact CD2-CD1 3.63Å; L123-I135 HydrophobicContact CG-CD1 4.44Å; L123-I139 HydrophobicContact CD1-CD1 3.72Å; L123-I139 HydrophobicContact CD1-CG1 3.85Å
124C90.7Very high91.1Very high25 Ų2546.5 Ų46.517%0.16922%0.222CC..THydrogen-bonded Turntrans-58.9-18.2169.8-62.20000113.4L120 R121 F122 A157 T160L120-C124 PolarHBondContact O-N 3.34Å; R121-C124 WeakPolarHBondContact O-CB 3.39Å; R121-C124 PolarHBondContact O-N 2.97Å; F122-C124 PolarHBondContact O-N 3.41Å; C124-A157 VanDerWaalsContact SG-CA 3.55Å; C124-T160 HydrophobicContact CB-CG2 4.37Å; C124-T160 WeakPolarHBondContact O-CG2 3.43Å
125K89.2Confident91.1Very high113 Ų11341 Ų4149%0.49120%0.198SC..THydrogen-bonded Turntrans-105.8-4.6-178.3-55.2-176.2177.6-175.30113.4E82 F122 L123E82-K125 HydrophobicContact CG-CD 4.27Å; E82-K125 WeakPolarHBondContact OE1-CD 3.4Å; E82-K125 IonicContact OE1-NZ 3.2Å; E82-K125 PolarHBondContact OE1-NZ 3.02Å; E82-K125 VanDerWaalsContact OE2-CD 3.24Å; E82-K125 WeakPolarHBondContact OE2-CD 3.22Å; E82-K125 IonicContact OE2-NZ 3.47Å; E82-K125 PolarHBondContact OE2-NZ 2.94Å; F122-K125 WeakPolarHBondContact O-CA 3.41Å; F122-K125 WeakPolarHBondContact O-CB 3.17Å; F122-K125 PolarHBondContact O-N 3.4Å; L123-K125 PolarHBondContact O-N 3.46Å; L123-K125 VanDerWaalsContact O-N 3.1Å
126L88.5Confident91.2Very high6 Ų640.8 Ų40.83%0.03120%0.197CC..  trans-78.4133.9-178.9-161.867.5000109.7K86 Y104 F122 L123 E128 L131 L132K86-L126 HydrophobicContact CD-CD1 4.32Å; Y104-L126 HydrophobicContact CE2-CD2 4.34Å; F122-L126 HydrophobicContact CZ-CD1 3.94Å; L123-L126 HydrophobicContact CD2-CD2 3.99Å; L123-L126 PolarHBondContact O-N 3.38Å; L126-E128 WeakPolarHBondContact CD1-OE2 3.49Å; L126-E128 WeakPolarHBondContact CG-OE2 3.49Å; L126-L131 HydrophobicContact CD1-CD1 4.37Å; L126-L131 HydrophobicContact CD2-CB 3.94Å; L126-L131 HydrophobicContact CD2-CD1 4.39Å; L126-L132 HydrophobicContact CB-CD2 4.39Å; L126-L132 HydrophobicContact CD2-CD2 3.8Å; L126-L132 HydrophobicContact CD2-CG 4.05Å
127K84.9Confident91.2Very high107 Ų10743.2 Ų43.247%0.46522%0.217SC..  trans-111.30.2-175.6-68-171.4176.5-173.10113.1D4 P129 F165D4-K127 IonicContact OD1-NZ 3.71Å; K127-P129 WeakPolarHBondContact O-CD 3.29Å; K127-F165 WeakPolarHBondContact O-CZ 3.44Å
128E89Confident91.3Very high24 Ų2443.5 Ų43.511%0.11222%0.219CC..  trans-100.3103.5-173.2-64.869.6-154.600109.8K86 Y87 L126 E130 L131 L132K86-E128 HydrophobicContact CB-CG 4.19Å; K86-E128 HydrophobicContact CD-CG 3.87Å; K86-E128 VanDerWaalsContact CD-OE1 3.3Å; K86-E128 WeakPolarHBondContact CD-OE1 3.34Å; K86-E128 VanDerWaalsContact CD-OE2 3.23Å; K86-E128 WeakPolarHBondContact CD-OE2 3.43Å; Y87-E128 HydrophobicContact CE2-CG 3.62Å; L126-E128 WeakPolarHBondContact CD1-OE2 3.49Å; L126-E128 WeakPolarHBondContact CG-OE2 3.49Å; E128-E130 PolarHBondContact O-N 3.34Å; E128-L131 HydrophobicContact CB-CB 4.25Å; E128-L131 HydrophobicContact CB-CD1 3.8Å; E128-L131 HydrophobicContact CB-CG 3.93Å; E128-L131 HydrophobicContact CG-CD1 4.25Å; E128-L131 PolarHBondContact O-N 2.99Å; E128-L131 VanDerWaalsContact O-N 3.15Å; E128-L132 PolarHBondContact O-N 3.39Å
129P88Confident91.4Very high40 Ų4041.6 Ų41.626%0.2621%0.206SC..Hα-helixtrans-62.6-33.3-176.525.4-33.5000112.2K127 L131 L132 E133 F165 L168K127-P129 WeakPolarHBondContact O-CD 3.29Å; P129-L131 PolarHBondContact O-N 3.16Å; P129-L132 PolarHBondContact O-N 2.84Å; P129-L132 VanDerWaalsContact O-N 3.08Å; P129-E133 PolarHBondContact O-N 3.16Å; P129-E133 VanDerWaalsContact O-N 3.07Å; P129-F165 HydrophobicContact CB-CD1 3.9Å; P129-F165 HydrophobicContact CB-CE1 4.07Å; P129-F165 HydrophobicContact CB-CG 4.24Å; P129-F165 HydrophobicContact CG-CD1 4.34Å; P129-F165 HydrophobicContact CG-CE1 4.12Å; P129-L168 HydrophobicContact CB-CD1 4.33Å
130E87.4Confident91.4Very high94 Ų9443.9 Ų43.944%0.43922%0.217SC..Hα-helixtrans-64-24.3179.7-5593.2164.500112.7Y87 L93 E128 P134Y87-E130 PolarHBondContact OH-OE2 2.66Å; L93-E130 HydrophobicContact CD2-CB 4.07Å; E128-E130 PolarHBondContact O-N 3.34Å; E130-P134 WeakPolarHBondContact O-CD 3.36Å
131L88.4Confident91.3Very high2 Ų248.9 Ų48.91%0.0124%0.24CC..Hα-helixtrans-86.1-25176.2-64-179.1000113L93 M97 C101 L126 E128 P129L93-L131 HydrophobicContact CD1-CD1 4.37Å; L93-L131 HydrophobicContact CD1-CD2 4.34Å; L93-L131 HydrophobicContact CD1-CG 4.21Å; L93-L131 HydrophobicContact CD2-CD2 3.83Å; L93-L131 HydrophobicContact CD2-CG 4.33Å; M97-L131 HydrophobicContact CB-CD2 4Å; M97-L131 HydrophobicContact CE-CD1 3.73Å; M97-L131 HydrophobicContact CG-CD1 3.49Å; M97-L131 VanDerWaalsContact CG-CD1 3.49Å; M97-L131 HydrophobicContact CG-CD2 3.55Å; M97-L131 HydrophobicContact CG-CG 4.12Å; M97-L131 HydrophobicContact SD-CD1 4.49Å; C101-L131 HydrophobicContact CB-CD2 4.33Å; C101-L131 PolarHBondContact SG-O 3.19Å; C101-L131 VanDerWaalsContact SG-O 3.4Å; L126-L131 HydrophobicContact CD1-CD1 4.37Å; L126-L131 HydrophobicContact CD2-CB 3.94Å; L126-L131 HydrophobicContact CD2-CD1 4.39Å; E128-L131 HydrophobicContact CB-CB 4.25Å; E128-L131 HydrophobicContact CB-CD1 3.8Å; E128-L131 HydrophobicContact CB-CG 3.93Å; E128-L131 HydrophobicContact CG-CD1 4.25Å; E128-L131 PolarHBondContact O-N 2.99Å; E128-L131 VanDerWaalsContact O-N 3.15Å; P129-L131 PolarHBondContact O-N 3.16Å
132L91Very high91.4Very high0 Ų042.1 Ų42.10%021%0.214CC..Hα-helixtrans-82.9-37.1-178.5-70.3171.3000111.9L123 L126 E128 P129 I135 M136 I161 F165 L168L123-L132 HydrophobicContact CD2-CD2 4.13Å; L126-L132 HydrophobicContact CB-CD2 4.39Å; L126-L132 HydrophobicContact CD2-CD2 3.8Å; L126-L132 HydrophobicContact CD2-CG 4.05Å; E128-L132 PolarHBondContact O-N 3.39Å; P129-L132 PolarHBondContact O-N 2.84Å; P129-L132 VanDerWaalsContact O-N 3.08Å; L132-I135 HydrophobicContact CD2-CD1 4.39Å; L132-I135 VanDerWaalsContact O-CG1 3.26Å; L132-I135 WeakPolarHBondContact O-CG1 3.38Å; L132-I135 PolarHBondContact O-N 3.17Å; L132-M136 PolarHBondContact O-N 3.49Å; L132-I161 HydrophobicContact CD1-CG1 4.1Å; L132-I161 HydrophobicContact CD1-CG2 4.27Å; L132-I161 HydrophobicContact CD2-CD1 3.96Å; L132-I161 HydrophobicContact CD2-CG1 4.25Å; L132-F165 HydrophobicContact CD1-CD2 3.69Å; L132-F165 HydrophobicContact CD1-CE2 3.77Å; L132-L168 HydrophobicContact CB-CD1 3.75Å; L132-L168 HydrophobicContact CD1-CD1 4.29Å
133E90.5Very high91.4Very high132 Ų13242.5 Ų42.562%0.61722%0.217SC*.G310 helixtrans-52.7-48.9-177.1-171.8179.9-177.200113.3P129 I135 M136 L168P129-E133 PolarHBondContact O-N 3.16Å; P129-E133 VanDerWaalsContact O-N 3.07Å; E133-I135 VanDerWaalsContact C-N 3.33Å; E133-I135 PolarHBondContact O-N 2.93Å; E133-M136 WeakPolarHBondContact O-CB 3.3Å; E133-M136 PolarHBondContact O-N 3.29Å; E133-L168 HydrophobicContact CB-CD2 3.85Å; E133-L168 HydrophobicContact CG-CD2 4.11Å
134P90.7Very high91.5Very high77 Ų7750.8 Ų50.850%0.526%0.255SS..G310 helixtrans-72.2-25.1-176.6-17.133000113.9E130E130-P134 WeakPolarHBondContact O-CD 3.36Å
135I92.9Very high91.7Very high1 Ų150.6 Ų50.61%0.00525%0.252CS..G310 helixtrans-95.5-9.1-177.961.8174.2000113Y104 R105 L108 L123 L132 E133 P137 S138 I139Y104-I135 HydrophobicContact CD2-CD1 4.35Å; R105-I135 HydrophobicContact CB-CG2 3.96Å; L108-I135 HydrophobicContact CD1-CB 4.1Å; L108-I135 HydrophobicContact CD1-CD1 4.32Å; L123-I135 HydrophobicContact CD1-CD1 3.9Å; L123-I135 HydrophobicContact CD2-CD1 3.63Å; L123-I135 HydrophobicContact CG-CD1 4.44Å; L132-I135 HydrophobicContact CD2-CD1 4.39Å; L132-I135 VanDerWaalsContact O-CG1 3.26Å; L132-I135 WeakPolarHBondContact O-CG1 3.38Å; L132-I135 PolarHBondContact O-N 3.17Å; E133-I135 VanDerWaalsContact C-N 3.33Å; E133-I135 PolarHBondContact O-N 2.93Å; I135-P137 VanDerWaalsContact C-CD 3.44Å; I135-P137 VanDerWaalsContact C-N 3.31Å; I135-S138 WeakPolarHBondContact O-CA 3.15Å; I135-S138 WeakPolarHBondContact O-CB 3.45Å; I135-S138 PolarHBondContact O-N 2.98Å; I135-I139 HydrophobicContact CD1-CD1 4.3Å; I135-I139 HydrophobicContact CG1-CD1 4.1Å; I135-I139 PolarHBondContact O-N 3.32Å
136M93.6Very high91.8Very high9 Ų954.4 Ų54.44%0.04426%0.263CS..Hα-helixtrans-49.5-43179-174.253.467.900113.5L132 E133 S138 I139 Q140 I161 L168 I169L132-M136 PolarHBondContact O-N 3.49Å; E133-M136 WeakPolarHBondContact O-CB 3.3Å; E133-M136 PolarHBondContact O-N 3.29Å; M136-S138 VanDerWaalsContact C-N 3.29Å; M136-S138 PolarHBondContact O-N 3.07Å; M136-I139 HydrophobicContact CE-CD1 4.49Å; M136-I139 PolarHBondContact O-N 3.3Å; M136-Q140 WeakPolarHBondContact O-CG 3.42Å; M136-Q140 PolarHBondContact O-N 3.46Å; M136-Q140 HydrophobicContact SD-CG 4.38Å; M136-I161 HydrophobicContact CE-CB 4.46Å; M136-I161 HydrophobicContact CE-CD1 4.08Å; M136-I161 HydrophobicContact CE-CG2 3.6Å; M136-L168 HydrophobicContact CE-CB 4.06Å; M136-I169 HydrophobicContact CE-CB 4.48Å; M136-I169 HydrophobicContact CE-CG2 4.43Å; M136-I169 HydrophobicContact SD-CB 4.22Å; M136-I169 HydrophobicContact SD-CD1 4.03Å
137P93.8Very high92.1Very high86 Ų8657.9 Ų57.956%0.55828%0.279SS*.Hα-helixtrans-61.3-34.8174.3-2435.2000113.7I135 Q140 Q141I135-P137 VanDerWaalsContact C-CD 3.44Å; I135-P137 VanDerWaalsContact C-N 3.31Å; P137-Q140 PolarHBondContact O-N 3.46Å; P137-Q141 WeakPolarHBondContact O-CB 3.4Å; P137-Q141 PolarHBondContact O-N 2.92Å
138S94.8Very high92.5Very high5 Ų553.8 Ų53.84%0.03527%0.266CS..Hα-helixtrans-75.4-33.8178.8-58.90000112.1Q109 I135 M136 C142Q109-S138 PolarHBondContact NE2-OG 3.23Å; I135-S138 WeakPolarHBondContact O-CA 3.15Å; I135-S138 WeakPolarHBondContact O-CB 3.45Å; I135-S138 PolarHBondContact O-N 2.98Å; M136-S138 VanDerWaalsContact C-N 3.29Å; M136-S138 PolarHBondContact O-N 3.07Å; S138-C142 PolarHBondContact O-N 3.1Å; S138-C142 PolarHBondContact O-SG 2.84Å
139I95.5Very high92.8Very high0 Ų055.4 Ų55.40%027%0.271CS..Hα-helixtrans-62.7-46.1171.5-60.7172.4000109.6L108 L120 L123 I135 M136 C142 A157 I158 I161L108-I139 HydrophobicContact CD1-CG1 3.77Å; L120-I139 HydrophobicContact CD2-CG1 4.44Å; L120-I139 HydrophobicContact CD2-CG2 3.98Å; L123-I139 HydrophobicContact CD1-CD1 3.72Å; L123-I139 HydrophobicContact CD1-CG1 3.85Å; I135-I139 HydrophobicContact CD1-CD1 4.3Å; I135-I139 HydrophobicContact CG1-CD1 4.1Å; I135-I139 PolarHBondContact O-N 3.32Å; M136-I139 HydrophobicContact CE-CD1 4.49Å; M136-I139 PolarHBondContact O-N 3.3Å; I139-C142 VanDerWaalsContact O-CB 3.27Å; I139-C142 WeakPolarHBondContact O-CB 2.7Å; I139-C142 PolarHBondContact O-N 2.91Å; I139-C142 VanDerWaalsContact O-N 3.12Å; I139-A157 HydrophobicContact CG2-CB 4.36Å; I139-I158 HydrophobicContact CG2-CD1 4.47Å; I139-I158 HydrophobicContact CG2-CG1 3.9Å; I139-I161 HydrophobicContact CD1-CD1 3.65Å
140Q94.2Very high93.1Very high48 Ų4853.5 Ų53.522%0.22426%0.259CS..Hα-helixtrans-64.3-41.8178.3-69.7179.748.300112M136 P137 C142 L143 I169M136-Q140 WeakPolarHBondContact O-CG 3.42Å; M136-Q140 PolarHBondContact O-N 3.46Å; M136-Q140 HydrophobicContact SD-CG 4.38Å; P137-Q140 PolarHBondContact O-N 3.46Å; Q140-C142 PolarHBondContact O-N 3.37Å; Q140-C142 VanDerWaalsContact O-N 3.12Å; Q140-L143 VanDerWaalsContact O-CB 3.27Å; Q140-L143 WeakPolarHBondContact O-CB 3.21Å; Q140-L143 PolarHBondContact O-N 3.13Å; Q140-I169 HydrophobicContact CG-CD1 4.04Å
141Q94.4Very high93.6Very high104 Ų10451.3 Ų51.349%0.48625%0.246SC..Hα-helixtrans-57.7-27.8174.2-169.7-177.728.400112.7P137 L143 E144P137-Q141 WeakPolarHBondContact O-CB 3.4Å; P137-Q141 PolarHBondContact O-N 2.92Å; Q141-L143 PolarHBondContact O-N 3.38Å; Q141-E144 PolarHBondContact O-N 3.45Å
142C95.9Very high93.9Very high1 Ų154.9 Ų54.91%0.00726%0.26CS..G310 helixtrans-68.6-18.2176.8-69.40000113.6L120 S138 I139 Q140 E144 H145 V150 A154L120-C142 HydrophobicContact CD1-CB 3.92Å; L120-C142 HydrophobicContact CD2-CB 4.47Å; S138-C142 PolarHBondContact O-N 3.1Å; S138-C142 PolarHBondContact O-SG 2.84Å; I139-C142 VanDerWaalsContact O-CB 3.27Å; I139-C142 WeakPolarHBondContact O-CB 2.7Å; I139-C142 PolarHBondContact O-N 2.91Å; I139-C142 VanDerWaalsContact O-N 3.12Å; Q140-C142 PolarHBondContact O-N 3.37Å; Q140-C142 VanDerWaalsContact O-N 3.12Å; C142-E144 VanDerWaalsContact C-N 3.25Å; C142-E144 PolarHBondContact O-N 3.27Å; C142-H145 VanDerWaalsContact O-CB 3.32Å; C142-H145 WeakPolarHBondContact O-CB 3.41Å; C142-H145 PolarHBondContact O-N 3.3Å; C142-V150 HydrophobicContact CB-CG1 3.75Å; C142-A154 HydrophobicContact CB-CB 3.81Å
143L94.2Very high94.1Very high18 Ų1855 Ų559%0.09426%0.26CS..G310 helixtrans-65.9-28.6171.3-69175.8000112.3Q140 Q141 H145 R151 A154 V155 I158 I176 F179Q140-L143 VanDerWaalsContact O-CB 3.27Å; Q140-L143 WeakPolarHBondContact O-CB 3.21Å; Q140-L143 PolarHBondContact O-N 3.13Å; Q141-L143 PolarHBondContact O-N 3.38Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-R151 WeakPolarHBondContact O-CD 3.22Å; L143-R151 VanDerWaalsContact O-CG 3.29Å; L143-R151 WeakPolarHBondContact O-CG 3.42Å; L143-A154 HydrophobicContact CD2-CB 3.93Å; L143-A154 HydrophobicContact CG-CB 4.36Å; L143-V155 HydrophobicContact CD2-CG2 3.65Å; L143-I158 HydrophobicContact CD1-CD1 3.51Å; L143-I158 HydrophobicContact CD2-CD1 3.99Å; L143-I158 HydrophobicContact CG-CD1 3.8Å; L143-I176 HydrophobicContact CD1-CD1 4.23Å; L143-I176 HydrophobicContact CD2-CD1 4.23Å; L143-F179 HydrophobicContact CB-CD2 4.17Å; L143-F179 HydrophobicContact CB-CE2 4.38Å; L143-F179 HydrophobicContact CD2-CD2 4.2Å; L143-F179 HydrophobicContact CD2-CE2 4.25Å; L143-F179 HydrophobicContact CD2-CG 4.49Å; L143-F179 WeakPolarHBondContact O-CE2 3.38Å
144E93.3Very high94.4Very high174 Ų17448.7 Ų48.781%0.81323%0.231SC*.G310 helixtrans-93.96.5-179.8-62.4175.1-175.700112.2Q141 C142Q141-E144 PolarHBondContact O-N 3.45Å; C142-E144 VanDerWaalsContact C-N 3.25Å; C142-E144 PolarHBondContact O-N 3.27Å
145H94.9Very high94.6Very high22 Ų2245 Ų4510%0.10221%0.207CC..  trans-66.6143.6-176.4-168.4-101.3000111.8R116 C142 L143 H147 V150 R151R116-H145 PolarHBondContact NH1-CD2 2.97Å; C142-H145 VanDerWaalsContact O-CB 3.32Å; C142-H145 WeakPolarHBondContact O-CB 3.41Å; C142-H145 PolarHBondContact O-N 3.3Å; L143-H145 VanDerWaalsContact C-N 3.33Å; H145-H147 PolarHBondContact ND1-N 3.37Å; H145-H147 VanDerWaalsContact ND1-N 3.19Å; H145-H147 PolarHBondContact O-N 2.89Å; H145-H147 VanDerWaalsContact O-N 3.13Å; H145-V150 HydrophobicContact CB-CB 4.03Å; H145-V150 HydrophobicContact CB-CG1 3.81Å; H145-R151 HydrophobicContact CB-CG 4.31Å; H145-R151 WeakPolarHBondContact O-CD 3.47Å; H145-R151 VanDerWaalsContact O-CG 3.26Å; H145-R151 WeakPolarHBondContact O-CG 3.5Å; H145-R151 PolarHBondContact O-NH1 3.41Å
146R92.3Very high94.6Very high193 Ų19346.7 Ų46.773%0.72822%0.216SC*.SBendtrans-56-33-179.766.7-177.9-176.1-177.10.2114.3R151R146-R151 PolarHBondContact O-NH1 3.27Å
147H94.5Very high94.7Very high78 Ų7846.2 Ų46.236%0.36121%0.214SC..SBendtrans-97.5122-171.8-143.7-83.1000111.5E113 H145 Y149 V150 R151E113-H147 HydrophobicContact CB-CB 4.29Å; E113-H147 IonicContact OE1-CD2 2.76Å; E113-H147 PolarHBondContact OE1-CD2 3.22Å; E113-H147 VanDerWaalsContact OE1-CD2 3.28Å; E113-H147 IonicContact OE1-CE1 3.75Å; E113-H147 PolarHBondContact OE1-CE1 3.14Å; E113-H147 IonicContact OE1-CG 2.69Å; E113-H147 IonicContact OE1-ND1 3.31Å; E113-H147 IonicContact OE1-NE2 3.08Å; E113-H147 PolarHBondContact OE1-NE2 3.44Å; E113-H147 IonicContact OE2-CD2 3.47Å; E113-H147 PolarHBondContact OE2-CD2 2.92Å; E113-H147 IonicContact OE2-CG 3.9Å; E113-H147 IonicContact OE2-NE2 2.84Å; H145-H147 PolarHBondContact ND1-N 3.37Å; H145-H147 VanDerWaalsContact ND1-N 3.19Å; H145-H147 PolarHBondContact O-N 2.89Å; H145-H147 VanDerWaalsContact O-N 3.13Å; H147-Y149 PolarHBondContact O-N 2.93Å; H147-V150 PolarHBondContact O-N 3.43Å; H147-R151 PolarHBondContact O-N 3.17Å
148A93.3Very high94.7Very high22 Ų2242.2 Ų42.218%0.18219%0.187CC..Hα-helixtrans-55.9-35.3-178.200000113.3V150 R151 R152 D185 C188A148-V150 PolarHBondContact O-N 3.03Å; A148-R151 PolarHBondContact O-N 3.38Å; A148-R152 WeakPolarHBondContact O-CB 3.44Å; A148-R152 PolarHBondContact O-N 3.45Å; A148-D185 HydrophobicContact CB-CB 3.91Å; A148-C188 PolarHBondContact O-SG 2.75Å
149Y94.5Very high94.7Very high58 Ų5843.4 Ų43.423%0.22719%0.192CC..Hα-helixtrans-52.8-41.4175175.2-101.9000113F114 H147 N153F114-Y149 HydrophobicContact CD1-CD1 4.43Å; F114-Y149 HydrophobicContact CD1-CE1 4.13Å; H147-Y149 PolarHBondContact O-N 2.93Å; Y149-N153 WeakPolarHBondContact CE2-ND2 3.45Å; Y149-N153 PolarHBondContact O-N 3.21Å; Y149-N153 PolarHBondContact O-ND2 3.31Å
150V96.1Very high94.5Very high0 Ų045.2 Ų45.20%020%0.203CC..Hα-helixtrans-72.9-49.6179.61780000110E113 R116 L120 C142 H145 H147 A148 R152 N153 A154E113-V150 HydrophobicContact CB-CG2 3.68Å; E113-V150 WeakPolarHBondContact O-CG2 3.37Å; R116-V150 HydrophobicContact CB-CG1 4.06Å; R116-V150 HydrophobicContact CB-CG2 3.99Å; L120-V150 HydrophobicContact CD1-CG1 3.87Å; L120-V150 WeakPolarHBondContact CD1-O 3.3Å; C142-V150 HydrophobicContact CB-CG1 3.75Å; H145-V150 HydrophobicContact CB-CB 4.03Å; H145-V150 HydrophobicContact CB-CG1 3.81Å; H147-V150 PolarHBondContact O-N 3.43Å; A148-V150 PolarHBondContact O-N 3.03Å; V150-R152 VanDerWaalsContact C-N 3.33Å; V150-R152 PolarHBondContact O-N 2.82Å; V150-N153 PolarHBondContact O-N 2.82Å; V150-A154 WeakPolarHBondContact O-CB 3.43Å; V150-A154 PolarHBondContact O-N 3.37Å
151R96.5Very high94.4Very high48 Ų4843.1 Ų43.118%0.18119%0.193CC..Hα-helixtrans-56.5-46.3178.9-58.1-165.1-66.2-120.615.8111.9L143 H145 R146 H147 A148 N153 A154 V155 F179 E183L143-R151 WeakPolarHBondContact O-CD 3.22Å; L143-R151 VanDerWaalsContact O-CG 3.29Å; L143-R151 WeakPolarHBondContact O-CG 3.42Å; H145-R151 HydrophobicContact CB-CG 4.31Å; H145-R151 WeakPolarHBondContact O-CD 3.47Å; H145-R151 VanDerWaalsContact O-CG 3.26Å; H145-R151 WeakPolarHBondContact O-CG 3.5Å; H145-R151 PolarHBondContact O-NH1 3.41Å; R146-R151 PolarHBondContact O-NH1 3.27Å; H147-R151 PolarHBondContact O-N 3.17Å; A148-R151 PolarHBondContact O-N 3.38Å; R151-N153 PolarHBondContact O-N 3.09Å; R151-A154 WeakPolarHBondContact O-CB 3.19Å; R151-A154 PolarHBondContact O-N 2.99Å; R151-A154 VanDerWaalsContact O-N 3.09Å; R151-V155 WeakPolarHBondContact O-CG2 3.2Å; R151-V155 PolarHBondContact O-N 3.22Å; R151-F179 HydrophobicContact CB-CE2 4.2Å; R151-F179 HydrophobicContact CB-CZ 4.02Å; R151-E183 IonicContact CZ-OE1 3.6Å; R151-E183 IonicContact CZ-OE2 3.69Å; R151-E183 VanDerWaalsContact CZ-OE2 3.29Å; R151-E183 IonicContact NE-OE1 3.44Å; R151-E183 IonicContact NE-OE2 3.28Å; R151-E183 PolarHBondContact NE-OE2 2.85Å; R151-E183 IonicContact NH2-OE1 2.7Å; R151-E183 PolarHBondContact NH2-OE1 3.44Å; R151-E183 IonicContact NH2-OE2 3.18Å; R151-E183 PolarHBondContact NH2-OE2 2.88Å; R151-E183 VanDerWaalsContact NH2-OE2 3.17Å
152R94.5Very high94.3Very high76 Ų7639.7 Ų39.729%0.28718%0.176SC..Hα-helixtrans-55.7-46.2176.4-177.2-175.971.7-178.51.2113.2A148 V150 L156 S187 N191A148-R152 WeakPolarHBondContact O-CB 3.44Å; A148-R152 PolarHBondContact O-N 3.45Å; V150-R152 VanDerWaalsContact C-N 3.33Å; V150-R152 PolarHBondContact O-N 2.82Å; R152-L156 PolarHBondContact O-N 3.4Å; R152-S187 WeakPolarHBondContact CD-OG 3.29Å; R152-N191 WeakPolarHBondContact CG-ND2 3.31Å; R152-N191 PolarHBondContact O-ND2 3.22Å; R152-N191 VanDerWaalsContact O-ND2 3.08Å
153N95.4Very high94.1Very high2 Ų247.2 Ų47.21%0.01121%0.209CC..Hα-helixtrans-74.7-29.8178.2-74.7-73.7000111.3L120 Y149 V150 R151 L156 A157L120-N153 HydrophobicContact CB-CB 3.86Å; L120-N153 HydrophobicContact CD1-CB 4.22Å; Y149-N153 WeakPolarHBondContact CE2-ND2 3.45Å; Y149-N153 PolarHBondContact O-N 3.21Å; Y149-N153 PolarHBondContact O-ND2 3.31Å; V150-N153 PolarHBondContact O-N 2.82Å; R151-N153 PolarHBondContact O-N 3.09Å; N153-L156 PolarHBondContact O-N 2.92Å; N153-A157 WeakPolarHBondContact O-CB 3.27Å; N153-A157 PolarHBondContact O-N 3.27Å
154A96.7Very high93.8Very high0 Ų050.4 Ų50.40%023%0.226CC..Hα-helixtrans-64.1-42.4175.700000111.2L120 C142 L143 V150 R151 L156 A157 I158L120-A154 HydrophobicContact CD1-CB 3.87Å; L120-A154 HydrophobicContact CD2-CB 4.25Å; C142-A154 HydrophobicContact CB-CB 3.81Å; L143-A154 HydrophobicContact CD2-CB 3.93Å; L143-A154 HydrophobicContact CG-CB 4.36Å; V150-A154 WeakPolarHBondContact O-CB 3.43Å; V150-A154 PolarHBondContact O-N 3.37Å; R151-A154 WeakPolarHBondContact O-CB 3.19Å; R151-A154 PolarHBondContact O-N 2.99Å; R151-A154 VanDerWaalsContact O-N 3.09Å; A154-L156 VanDerWaalsContact C-N 3.35Å; A154-L156 PolarHBondContact O-N 3.15Å; A154-A157 PolarHBondContact O-N 3.1Å; A154-I158 WeakPolarHBondContact O-CB 3.37Å; A154-I158 WeakPolarHBondContact O-CG1 3.33Å; A154-I158 PolarHBondContact O-N 3.14Å
155V96.1Very high93.7Very high0 Ų044.1 Ų44.10%020%0.196CC..Hα-helixtrans-59.5-43.5173.11760000111.8L143 R151 I158 F159 I176 F179 N191 A192L143-V155 HydrophobicContact CD2-CG2 3.65Å; R151-V155 WeakPolarHBondContact O-CG2 3.2Å; R151-V155 PolarHBondContact O-N 3.22Å; V155-I158 PolarHBondContact O-N 3.08Å; V155-F159 WeakPolarHBondContact O-CB 3.5Å; V155-F159 PolarHBondContact O-N 3.44Å; V155-I176 HydrophobicContact CG1-CD1 4.33Å; V155-I176 HydrophobicContact CG2-CD1 4.16Å; V155-F179 HydrophobicContact CG2-CD1 4.01Å; V155-F179 HydrophobicContact CG2-CE1 3.59Å; V155-F179 HydrophobicContact CG2-CZ 4.08Å; V155-N191 HydrophobicContact CB-CB 4.23Å; V155-N191 VanDerWaalsContact CG1-C 3.48Å; V155-N191 HydrophobicContact CG1-CB 3.85Å; V155-N191 WeakPolarHBondContact CG1-O 3.21Å; V155-A192 HydrophobicContact CG1-CB 4.18Å
156L93.1Very high93.3Very high36 Ų3648.5 Ų48.519%0.18822%0.216CC..Hα-helixtrans-64.9-40.7177.1-68.3175.5000112.4R152 N153 A154 F159 T160 N191R152-L156 PolarHBondContact O-N 3.4Å; N153-L156 PolarHBondContact O-N 2.92Å; A154-L156 VanDerWaalsContact C-N 3.35Å; A154-L156 PolarHBondContact O-N 3.15Å; L156-F159 PolarHBondContact O-N 3.1Å; L156-T160 PolarHBondContact O-N 3.19Å; L156-T160 PolarHBondContact O-OG1 2.82Å; L156-N191 WeakPolarHBondContact CD1-ND2 3.11Å; L156-N191 HydrophobicContact CD2-CB 4.32Å; L156-N191 VanDerWaalsContact CG-ND2 3.27Å; L156-N191 WeakPolarHBondContact CG-ND2 3.24Å
157A94.3Very high93.2Very high0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-61.2-49.6175.700000110.3L120 C124 I139 N153 A154 F159 T160 I161L120-A157 HydrophobicContact CB-CB 4.43Å; L120-A157 HydrophobicContact CD2-CB 4.06Å; C124-A157 VanDerWaalsContact SG-CA 3.55Å; I139-A157 HydrophobicContact CG2-CB 4.36Å; N153-A157 WeakPolarHBondContact O-CB 3.27Å; N153-A157 PolarHBondContact O-N 3.27Å; A154-A157 PolarHBondContact O-N 3.1Å; A157-F159 VanDerWaalsContact C-N 3.33Å; A157-F159 PolarHBondContact O-N 2.87Å; A157-T160 PolarHBondContact O-N 3.26Å; A157-I161 WeakPolarHBondContact O-CB 3.24Å; A157-I161 WeakPolarHBondContact O-CD1 3.01Å; A157-I161 WeakPolarHBondContact O-CG1 3.46Å; A157-I161 PolarHBondContact O-N 2.86Å
158I95.2Very high92.9Very high1 Ų142.2 Ų42.21%0.00521%0.208CC..Hα-helixtrans-59.6-44.1176.6-69.7170.2000111I139 L143 A154 V155 T160 I161 Y162 I169 A172 I176 M195I139-I158 HydrophobicContact CG2-CD1 4.47Å; I139-I158 HydrophobicContact CG2-CG1 3.9Å; L143-I158 HydrophobicContact CD1-CD1 3.51Å; L143-I158 HydrophobicContact CD2-CD1 3.99Å; L143-I158 HydrophobicContact CG-CD1 3.8Å; A154-I158 WeakPolarHBondContact O-CB 3.37Å; A154-I158 WeakPolarHBondContact O-CG1 3.33Å; A154-I158 PolarHBondContact O-N 3.14Å; V155-I158 PolarHBondContact O-N 3.08Å; I158-T160 PolarHBondContact O-N 3.49Å; I158-I161 PolarHBondContact O-N 3.35Å; I158-Y162 VanDerWaalsContact O-CB 3.24Å; I158-Y162 WeakPolarHBondContact O-CB 3.11Å; I158-Y162 PolarHBondContact O-N 3.26Å; I158-I169 HydrophobicContact CG1-CD1 4.46Å; I158-I169 HydrophobicContact CG2-CD1 4.06Å; I158-A172 HydrophobicContact CG2-CB 4Å; I158-I176 HydrophobicContact CD1-CD1 4.31Å; I158-I176 HydrophobicContact CG2-CD1 4.3Å; I158-I176 HydrophobicContact CG2-CG1 4.32Å; I158-M195 HydrophobicContact CG2-CE 3.82Å; I158-M195 HydrophobicContact CG2-SD 4.02Å
159F94Very high92.8Very high31 Ų3141.2 Ų41.214%0.13620%0.2CC..Hα-helixtrans-58.7-48.3177.5175.5-147.5000111.8V155 L156 A157 K163 M195 H198 V199V155-F159 WeakPolarHBondContact O-CB 3.5Å; V155-F159 PolarHBondContact O-N 3.44Å; L156-F159 PolarHBondContact O-N 3.1Å; A157-F159 VanDerWaalsContact C-N 3.33Å; A157-F159 PolarHBondContact O-N 2.87Å; F159-K163 WeakPolarHBondContact O-CB 3.48Å; F159-K163 PolarHBondContact O-N 3.23Å; F159-M195 HydrophobicContact CB-CB 3.96Å; F159-M195 HydrophobicContact CB-CG 3.73Å; F159-M195 HydrophobicContact CB-SD 3.74Å; F159-M195 HydrophobicContact CD2-CB 4.16Å; F159-M195 HydrophobicContact CD2-CG 3.71Å; F159-M195 HydrophobicContact CG-CB 3.98Å; F159-M195 HydrophobicContact CG-CG 3.88Å; F159-H198 HydrophobicContact CE2-CB 3.82Å; F159-H198 HydrophobicContact CZ-CB 3.66Å; F159-H198 AromaticContact CZ-CD2 3.86Å; F159-H198 AromaticContact CZ-CG 3.95Å; F159-V199 HydrophobicContact CD2-CG2 3.9Å; F159-V199 HydrophobicContact CE2-CG2 3.89Å
160T91.4Very high92.4Very high38 Ų3842.6 Ų42.623%0.23322%0.216CC..Hα-helixtrans-69.6-39.6-178.3-53.50000111.7C124 L156 A157 I158 K163 N164C124-T160 HydrophobicContact CB-CG2 4.37Å; C124-T160 WeakPolarHBondContact O-CG2 3.43Å; L156-T160 PolarHBondContact O-N 3.19Å; L156-T160 PolarHBondContact O-OG1 2.82Å; A157-T160 PolarHBondContact O-N 3.26Å; I158-T160 PolarHBondContact O-N 3.49Å; T160-K163 PolarHBondContact O-N 3.34Å; T160-N164 PolarHBondContact O-N 3Å; T160-N164 VanDerWaalsContact O-N 3.12Å; T160-N164 PolarHBondContact O-ND2 3.27Å
161I92.7Very high92.1Very high3 Ų345.7 Ų45.72%0.01523%0.232CC..Hα-helixtrans-65.4-45.2176.9-64.5163.1000110.5L132 M136 I139 A157 I158 K163 N164 F165 L168L132-I161 HydrophobicContact CD1-CG1 4.1Å; L132-I161 HydrophobicContact CD1-CG2 4.27Å; L132-I161 HydrophobicContact CD2-CD1 3.96Å; L132-I161 HydrophobicContact CD2-CG1 4.25Å; M136-I161 HydrophobicContact CE-CB 4.46Å; M136-I161 HydrophobicContact CE-CD1 4.08Å; M136-I161 HydrophobicContact CE-CG2 3.6Å; I139-I161 HydrophobicContact CD1-CD1 3.65Å; A157-I161 WeakPolarHBondContact O-CB 3.24Å; A157-I161 WeakPolarHBondContact O-CD1 3.01Å; A157-I161 WeakPolarHBondContact O-CG1 3.46Å; A157-I161 PolarHBondContact O-N 2.86Å; I158-I161 PolarHBondContact O-N 3.35Å; I161-K163 VanDerWaalsContact C-N 3.34Å; I161-K163 PolarHBondContact O-N 3.04Å; I161-N164 PolarHBondContact O-N 3.35Å; I161-F165 HydrophobicContact CG2-CB 4.47Å; I161-F165 HydrophobicContact CG2-CD2 4.49Å; I161-F165 CarbonylContact O-C 3.55Å; I161-F165 VanDerWaalsContact O-CA 3.31Å; I161-F165 WeakPolarHBondContact O-CA 3.17Å; I161-F165 WeakPolarHBondContact O-CB 3.5Å; I161-F165 PolarHBondContact O-N 2.95Å; I161-L168 HydrophobicContact CG2-CB 4.4Å; I161-L168 HydrophobicContact CG2-CD1 4.05Å
162Y92.7Very high91.9Very high33 Ų3343.4 Ų43.413%0.12922%0.224CC..Hα-helixtrans-60.4-43.5176.9-178.9-87.9000111.8I158 N164 E166 I169 A172 P173 V199I158-Y162 VanDerWaalsContact O-CB 3.24Å; I158-Y162 WeakPolarHBondContact O-CB 3.11Å; I158-Y162 PolarHBondContact O-N 3.26Å; Y162-N164 VanDerWaalsContact C-N 3.31Å; Y162-N164 PolarHBondContact O-N 3.13Å; Y162-E166 HydrophobicContact CD2-CG 4.39Å; Y162-E166 HydrophobicContact CE2-CB 4.48Å; Y162-E166 HydrophobicContact CE2-CG 3.74Å; Y162-E166 WeakPolarHBondContact O-CA 3.41Å; Y162-E166 PolarHBondContact O-N 3.45Å; Y162-E166 PolarHBondContact OH-OE1 2.96Å; Y162-I169 HydrophobicContact CD2-CG2 4.27Å; Y162-I169 VanDerWaalsContact CD2-O 3.29Å; Y162-I169 WeakPolarHBondContact CD2-O 3.46Å; Y162-A172 HydrophobicContact CD2-CB 3.6Å; Y162-A172 HydrophobicContact CE2-CB 4.21Å; Y162-A172 HydrophobicContact CG-CB 4.17Å; Y162-P173 HydrophobicContact CE2-CG 4.44Å; Y162-V199 HydrophobicContact CD1-CB 4.35Å; Y162-V199 HydrophobicContact CD1-CG1 3.7Å; Y162-V199 HydrophobicContact CD1-CG2 3.67Å; Y162-V199 HydrophobicContact CE1-CB 4.15Å; Y162-V199 HydrophobicContact CE1-CG1 3.16Å; Y162-V199 HydrophobicContact CE1-CG2 3.94Å
163K89.8Confident91.7Very high158 Ų15840.3 Ų40.369%0.68721%0.213SC*.Hα-helixtrans-61.9-36.6179.1-173.8179.3178.3-178.10112.9F159 T160 I161F159-K163 WeakPolarHBondContact O-CB 3.48Å; F159-K163 PolarHBondContact O-N 3.23Å; T160-K163 PolarHBondContact O-N 3.34Å; I161-K163 VanDerWaalsContact C-N 3.34Å; I161-K163 PolarHBondContact O-N 3.04Å
164N89.1Confident91.5Very high85 Ų8545.1 Ų45.146%0.45524%0.236SC..Hα-helixtrans-91.8-33-177.9-64.7-20.8000112.9T160 I161 Y162T160-N164 PolarHBondContact O-N 3Å; T160-N164 VanDerWaalsContact O-N 3.12Å; T160-N164 PolarHBondContact O-ND2 3.27Å; I161-N164 PolarHBondContact O-N 3.35Å; Y162-N164 VanDerWaalsContact C-N 3.31Å; Y162-N164 PolarHBondContact O-N 3.13Å
165F90Very high91.2Very high42 Ų4247.9 Ų47.918%0.18425%0.248CC..  trans-142.966.9-169.4-50.1-64.4000110.8K127 P129 L132 I161 S167 L168K127-F165 WeakPolarHBondContact O-CZ 3.44Å; P129-F165 HydrophobicContact CB-CD1 3.9Å; P129-F165 HydrophobicContact CB-CE1 4.07Å; P129-F165 HydrophobicContact CB-CG 4.24Å; P129-F165 HydrophobicContact CG-CD1 4.34Å; P129-F165 HydrophobicContact CG-CE1 4.12Å; L132-F165 HydrophobicContact CD1-CD2 3.69Å; L132-F165 HydrophobicContact CD1-CE2 3.77Å; I161-F165 HydrophobicContact CG2-CB 4.47Å; I161-F165 HydrophobicContact CG2-CD2 4.49Å; I161-F165 CarbonylContact O-C 3.55Å; I161-F165 VanDerWaalsContact O-CA 3.31Å; I161-F165 WeakPolarHBondContact O-CA 3.17Å; I161-F165 WeakPolarHBondContact O-CB 3.5Å; I161-F165 PolarHBondContact O-N 2.95Å; F165-S167 PolarHBondContact O-N 3.34Å; F165-S167 VanDerWaalsContact O-N 3.14Å; F165-L168 HydrophobicContact CB-CD1 3.67Å; F165-L168 HydrophobicContact CB-CG 3.93Å; F165-L168 HydrophobicContact CD2-CD1 4.37Å; F165-L168 HydrophobicContact CG-CD1 4.19Å; F165-L168 PolarHBondContact O-N 3.2Å; F165-L168 VanDerWaalsContact O-N 3.1Å
166E87.8Confident91.1Very high114 Ų11447.9 Ų47.953%0.53325%0.248SC..G310 helixtrans-52.7-37.1-178.5177.4171.1-167.300113.2Y162 L168 I169Y162-E166 HydrophobicContact CD2-CG 4.39Å; Y162-E166 HydrophobicContact CE2-CB 4.48Å; Y162-E166 HydrophobicContact CE2-CG 3.74Å; Y162-E166 WeakPolarHBondContact O-CA 3.41Å; Y162-E166 PolarHBondContact O-N 3.45Å; Y162-E166 PolarHBondContact OH-OE1 2.96Å; E166-L168 PolarHBondContact O-N 3.01Å; E166-L168 VanDerWaalsContact O-N 3.15Å; E166-I169 CarbonylContact O-C 3.44Å; E166-I169 PolarHBondContact O-N 2.53Å
167S89Confident91Very high106 Ų10647.9 Ų47.974%0.74125%0.248SC*.G310 helixtrans-61.7-22.6-178.956.40000114.6F165F165-S167 PolarHBondContact O-N 3.34Å; F165-S167 VanDerWaalsContact O-N 3.14Å
168L89.8Confident90.9Very high33 Ų3355.6 Ų55.617%0.17328%0.277CS..G310 helixtrans-76.5-25.7-179.3-65.9-179.3000112.9P129 L132 E133 M136 I161 F165 E166P129-L168 HydrophobicContact CB-CD1 4.33Å; L132-L168 HydrophobicContact CB-CD1 3.75Å; L132-L168 HydrophobicContact CD1-CD1 4.29Å; E133-L168 HydrophobicContact CB-CD2 3.85Å; E133-L168 HydrophobicContact CG-CD2 4.11Å; M136-L168 HydrophobicContact CE-CB 4.06Å; I161-L168 HydrophobicContact CG2-CB 4.4Å; I161-L168 HydrophobicContact CG2-CD1 4.05Å; F165-L168 HydrophobicContact CB-CD1 3.67Å; F165-L168 HydrophobicContact CB-CG 3.93Å; F165-L168 HydrophobicContact CD2-CD1 4.37Å; F165-L168 HydrophobicContact CG-CD1 4.19Å; F165-L168 PolarHBondContact O-N 3.2Å; F165-L168 VanDerWaalsContact O-N 3.1Å; E166-L168 PolarHBondContact O-N 3.01Å; E166-L168 VanDerWaalsContact O-N 3.15Å
169I89.3Confident90.8Very high2 Ų256.6 Ų56.61%0.0128%0.281CS..  trans-150.568-179.2-167.1172.7000110.7M136 Q140 I158 Y162 E166 D171 A172M136-I169 HydrophobicContact CE-CB 4.48Å; M136-I169 HydrophobicContact CE-CG2 4.43Å; M136-I169 HydrophobicContact SD-CB 4.22Å; M136-I169 HydrophobicContact SD-CD1 4.03Å; Q140-I169 HydrophobicContact CG-CD1 4.04Å; I158-I169 HydrophobicContact CG1-CD1 4.46Å; I158-I169 HydrophobicContact CG2-CD1 4.06Å; Y162-I169 HydrophobicContact CD2-CG2 4.27Å; Y162-I169 VanDerWaalsContact CD2-O 3.29Å; Y162-I169 WeakPolarHBondContact CD2-O 3.46Å; E166-I169 CarbonylContact O-C 3.44Å; E166-I169 PolarHBondContact O-N 2.53Å; I169-D171 PolarHBondContact O-N 2.94Å; I169-A172 HydrophobicContact CB-CB 4.44Å; I169-A172 HydrophobicContact CD1-CB 4.15Å; I169-A172 HydrophobicContact CG1-CB 3.92Å; I169-A172 HydrophobicContact CG2-CB 4.02Å; I169-A172 VanDerWaalsContact O-CB 3.31Å; I169-A172 WeakPolarHBondContact O-CB 3.39Å; I169-A172 PolarHBondContact O-N 3.02Å; I169-A172 VanDerWaalsContact O-N 3.17Å
170P87.5Confident90.7Very high86 Ų8655.2 Ų55.256%0.55828%0.275SS*.THydrogen-bonded Turntrans-63.7-26.6-17624.9-34.4000113.2A172P170-A172 VanDerWaalsContact C-N 3.29Å; P170-A172 PolarHBondContact O-N 3.25Å
171D90Very high90.6Very high66 Ų6658.6 Ų58.635%0.35329%0.288SS..THydrogen-bonded Turntrans-90.118.6179.168.5-17.9000113.9I169 E174 K175I169-D171 PolarHBondContact O-N 2.94Å; D171-E174 WeakPolarHBondContact CA-OE2 3.02Å; D171-K175 VanDerWaalsContact CG-CE 3.48Å; D171-K175 WeakPolarHBondContact O-CB 3.15Å; D171-K175 WeakPolarHBondContact O-CG 3.36Å; D171-K175 PolarHBondContact O-N 2.95Å; D171-K175 VanDerWaalsContact O-N 3.13Å; D171-K175 IonicContact OD1-NZ 3.96Å; D171-K175 PolarHBondContact OD1-NZ 3.45Å; D171-K175 WeakPolarHBondContact OD2-CE 3.34Å; D171-K175 IonicContact OD2-NZ 3.3Å; D171-K175 PolarHBondContact OD2-NZ 2.9Å
172A91.1Very high90.4Very high0 Ų065.7 Ų65.70%032%0.322CS..Hα-helixtrans-61.1-43.5-179.100000113.7I158 Y162 I169 P170 E174 K175 I176 M195I158-A172 HydrophobicContact CG2-CB 4Å; Y162-A172 HydrophobicContact CD2-CB 3.6Å; Y162-A172 HydrophobicContact CE2-CB 4.21Å; Y162-A172 HydrophobicContact CG-CB 4.17Å; I169-A172 HydrophobicContact CB-CB 4.44Å; I169-A172 HydrophobicContact CD1-CB 4.15Å; I169-A172 HydrophobicContact CG1-CB 3.92Å; I169-A172 HydrophobicContact CG2-CB 4.02Å; I169-A172 VanDerWaalsContact O-CB 3.31Å; I169-A172 WeakPolarHBondContact O-CB 3.39Å; I169-A172 PolarHBondContact O-N 3.02Å; I169-A172 VanDerWaalsContact O-N 3.17Å; P170-A172 VanDerWaalsContact C-N 3.29Å; P170-A172 PolarHBondContact O-N 3.25Å; A172-E174 PolarHBondContact O-N 3.37Å; A172-K175 PolarHBondContact O-N 3.26Å; A172-I176 WeakPolarHBondContact O-CB 3.3Å; A172-I176 WeakPolarHBondContact O-CG1 3.42Å; A172-I176 PolarHBondContact O-N 2.82Å; A172-M195 HydrophobicContact CB-CE 3.68Å
173P90.1Very high90.3Very high10 Ų1064.8 Ų64.87%0.06532%0.319CS..Hα-helixtrans-58.7-46.2179.3-24.335.6000112.4Y162 I176 L177 L196 V199Y162-P173 HydrophobicContact CE2-CG 4.44Å; P173-I176 PolarHBondContact O-N 3.38Å; P173-L177 WeakPolarHBondContact O-CB 3.39Å; P173-L177 PolarHBondContact O-N 3.48Å; P173-L196 HydrophobicContact CB-CD2 4.35Å; P173-L196 WeakPolarHBondContact O-CD2 3.5Å; P173-V199 HydrophobicContact CG-CG1 3.78Å
174E91.5Very high90.2Very high104 Ų10464.5 Ų64.549%0.48632%0.319SS..Hα-helixtrans-66.5-40.3-179.6-63.581.9176.500111.7D171 A172 R178D171-E174 WeakPolarHBondContact CA-OE2 3.02Å; A172-E174 PolarHBondContact O-N 3.37Å; E174-R178 WeakPolarHBondContact O-CG 3.4Å; E174-R178 PolarHBondContact O-N 2.99Å; E174-R178 VanDerWaalsContact O-N 3.1Å
175K91.1Very high90.2Very high57 Ų5763.1 Ų63.125%0.24831%0.312CS..Hα-helixtrans-63.9-44.1175.7-79.9175.3174.6155.60112.1D171 A172 L177 R178 F179D171-K175 VanDerWaalsContact CG-CE 3.48Å; D171-K175 WeakPolarHBondContact O-CB 3.15Å; D171-K175 WeakPolarHBondContact O-CG 3.36Å; D171-K175 PolarHBondContact O-N 2.95Å; D171-K175 VanDerWaalsContact O-N 3.13Å; D171-K175 IonicContact OD1-NZ 3.96Å; D171-K175 PolarHBondContact OD1-NZ 3.45Å; D171-K175 WeakPolarHBondContact OD2-CE 3.34Å; D171-K175 IonicContact OD2-NZ 3.3Å; D171-K175 PolarHBondContact OD2-NZ 2.9Å; A172-K175 PolarHBondContact O-N 3.26Å; K175-L177 VanDerWaalsContact C-N 3.35Å; K175-R178 PolarHBondContact O-N 3.28Å; K175-F179 WeakPolarHBondContact O-CB 3.31Å; K175-F179 PolarHBondContact O-N 2.93Å
176I94.1Very high90Very high0 Ų063.9 Ų63.90%032%0.323CS..Hα-helixtrans-73.4-30.9-177.8-64.6-71.6000111.1L143 V155 I158 A172 P173 F179 L180 A192 M195 L196L143-I176 HydrophobicContact CD1-CD1 4.23Å; L143-I176 HydrophobicContact CD2-CD1 4.23Å; V155-I176 HydrophobicContact CG1-CD1 4.33Å; V155-I176 HydrophobicContact CG2-CD1 4.16Å; I158-I176 HydrophobicContact CD1-CD1 4.31Å; I158-I176 HydrophobicContact CG2-CD1 4.3Å; I158-I176 HydrophobicContact CG2-CG1 4.32Å; A172-I176 WeakPolarHBondContact O-CB 3.3Å; A172-I176 WeakPolarHBondContact O-CG1 3.42Å; A172-I176 PolarHBondContact O-N 2.82Å; P173-I176 PolarHBondContact O-N 3.38Å; I176-F179 PolarHBondContact O-N 2.96Å; I176-L180 WeakPolarHBondContact O-CB 3.5Å; I176-L180 PolarHBondContact O-N 3.22Å; I176-A192 HydrophobicContact CG2-CB 3.71Å; I176-M195 HydrophobicContact CB-SD 4.27Å; I176-M195 HydrophobicContact CD1-SD 4.15Å; I176-M195 HydrophobicContact CG1-CE 3.9Å; I176-M195 HydrophobicContact CG1-SD 3.64Å; I176-M195 HydrophobicContact CG2-SD 4.15Å; I176-L196 HydrophobicContact CB-CD2 4.3Å; I176-L196 HydrophobicContact CG2-CD2 4.2Å; I176-L196 HydrophobicContact CG2-CG 4.05Å
177L91.5Very high90Very high37 Ų3759.9 Ų59.919%0.19431%0.307CS..Hα-helixtrans-60.5-52.7168.3177.966.8000111.4P173 K175 F179 L180 E181 L196 T203 Y207P173-L177 WeakPolarHBondContact O-CB 3.39Å; P173-L177 PolarHBondContact O-N 3.48Å; K175-L177 VanDerWaalsContact C-N 3.35Å; L177-F179 VanDerWaalsContact C-N 3.26Å; L177-F179 PolarHBondContact O-N 3.47Å; L177-L180 WeakPolarHBondContact O-CB 3.47Å; L177-L180 PolarHBondContact O-N 3.19Å; L177-E181 HydrophobicContact CD1-CG 4.5Å; L177-E181 WeakPolarHBondContact O-CG 3.48Å; L177-E181 PolarHBondContact O-N 2.97Å; L177-L196 HydrophobicContact CB-CD1 4.28Å; L177-L196 HydrophobicContact CD1-CD1 4.23Å; L177-T203 HydrophobicContact CB-CG2 4.11Å; L177-T203 HydrophobicContact CD1-CG2 4.09Å; L177-T203 HydrophobicContact CD2-CG2 3.67Å; L177-T203 HydrophobicContact CG-CG2 4.16Å; L177-Y207 HydrophobicContact CD1-CD2 3.97Å; L177-Y207 HydrophobicContact CD1-CG 4.24Å
178R91.9Very high90.1Very high162 Ų16254.8 Ų54.861%0.61127%0.272SS*.Hα-helixtrans-59-40177.4-70175.8-172.8166.45.4112E174 K175 Q182E174-R178 WeakPolarHBondContact O-CG 3.4Å; E174-R178 PolarHBondContact O-N 2.99Å; E174-R178 VanDerWaalsContact O-N 3.1Å; K175-R178 PolarHBondContact O-N 3.28Å; R178-Q182 WeakPolarHBondContact O-CG 3.3Å; R178-Q182 PolarHBondContact O-N 3.4Å
179F93.2Very high90.1Very high22 Ų2254.7 Ų54.710%0.09627%0.27CS..Hα-helixtrans-60.8-46.7174.1173.3-94.6000111.5L143 R151 V155 K175 I176 L177 E181 Q182 E183 C188 A192L143-F179 HydrophobicContact CB-CD2 4.17Å; L143-F179 HydrophobicContact CB-CE2 4.38Å; L143-F179 HydrophobicContact CD2-CD2 4.2Å; L143-F179 HydrophobicContact CD2-CE2 4.25Å; L143-F179 HydrophobicContact CD2-CG 4.49Å; L143-F179 WeakPolarHBondContact O-CE2 3.38Å; R151-F179 HydrophobicContact CB-CE2 4.2Å; R151-F179 HydrophobicContact CB-CZ 4.02Å; V155-F179 HydrophobicContact CG2-CD1 4.01Å; V155-F179 HydrophobicContact CG2-CE1 3.59Å; V155-F179 HydrophobicContact CG2-CZ 4.08Å; K175-F179 WeakPolarHBondContact O-CB 3.31Å; K175-F179 PolarHBondContact O-N 2.93Å; I176-F179 PolarHBondContact O-N 2.96Å; L177-F179 VanDerWaalsContact C-N 3.26Å; L177-F179 PolarHBondContact O-N 3.47Å; F179-E181 VanDerWaalsContact C-N 3.35Å; F179-E181 PolarHBondContact O-N 3.01Å; F179-Q182 PolarHBondContact O-N 3.41Å; F179-E183 HydrophobicContact CE1-CB 4.24Å; F179-E183 HydrophobicContact CE1-CG 4.23Å; F179-E183 HydrophobicContact CZ-CB 4.24Å; F179-E183 HydrophobicContact CZ-CG 4.05Å; F179-E183 VanDerWaalsContact CZ-OE2 3.3Å; F179-E183 WeakPolarHBondContact CZ-OE2 3.44Å; F179-E183 WeakPolarHBondContact O-CB 3.4Å; F179-E183 PolarHBondContact O-N 3.42Å; F179-C188 HydrophobicContact CE1-CB 4.14Å; F179-C188 HydrophobicContact CZ-CB 3.99Å; F179-A192 HydrophobicContact CD1-CB 3.85Å; F179-A192 HydrophobicContact CE1-CB 4.08Å
180L90.5Very high90Very high1 Ų157.6 Ų57.61%0.00528%0.281CS..Hα-helixtrans-62.2-40.3-179.6177.362.5000112.4I176 L177 Q182 K189 A192 F193 L196 Y207I176-L180 WeakPolarHBondContact O-CB 3.5Å; I176-L180 PolarHBondContact O-N 3.22Å; L177-L180 WeakPolarHBondContact O-CB 3.47Å; L177-L180 PolarHBondContact O-N 3.19Å; L180-Q182 VanDerWaalsContact C-N 3.34Å; L180-Q182 PolarHBondContact O-N 3.44Å; L180-K189 HydrophobicContact CD1-CB 3.81Å; L180-K189 HydrophobicContact CD1-CG 3.94Å; L180-K189 WeakPolarHBondContact CD1-O 3.27Å; L180-A192 HydrophobicContact CB-CB 4.11Å; L180-A192 HydrophobicContact CD1-CB 4.09Å; L180-F193 HydrophobicContact CD1-CB 4.47Å; L180-F193 HydrophobicContact CD2-CB 4.28Å; L180-F193 HydrophobicContact CD2-CD2 3.99Å; L180-L196 HydrophobicContact CD2-CD1 3.75Å; L180-Y207 HydrophobicContact CD1-CE1 4.3Å; L180-Y207 HydrophobicContact CD2-CD1 3.55Å; L180-Y207 HydrophobicContact CD2-CD2 3.9Å; L180-Y207 HydrophobicContact CD2-CE1 3.57Å; L180-Y207 HydrophobicContact CD2-CE2 3.9Å; L180-Y207 HydrophobicContact CD2-CG 3.73Å; L180-Y207 HydrophobicContact CG-CD1 4.3Å; L180-Y207 HydrophobicContact CG-CD2 4.15Å; L180-Y207 HydrophobicContact CG-CE1 3.87Å; L180-Y207 HydrophobicContact CG-CE2 3.68Å; L180-Y207 HydrophobicContact CG-CG 4.43Å
181E89Confident90.1Very high109 Ų10953.7 Ų53.751%0.50926%0.255SS..Hα-helixtrans-65.3-33.8177.6-70.6173.716100113.1L177 F179 Y207L177-E181 HydrophobicContact CD1-CG 4.5Å; L177-E181 WeakPolarHBondContact O-CG 3.48Å; L177-E181 PolarHBondContact O-N 2.97Å; F179-E181 VanDerWaalsContact C-N 3.35Å; F179-E181 PolarHBondContact O-N 3.01Å; E181-Y207 HydrophobicContact CG-CD2 4Å; E181-Y207 HydrophobicContact CG-CE2 3.95Å
182Q89.8Confident90.2Very high153 Ų15350.5 Ų50.572%0.71524%0.238SC*.Hα-helixtrans-92.4-28.2-176.3-66.1176.210.300113.7R178 F179 L180R178-Q182 WeakPolarHBondContact O-CG 3.3Å; R178-Q182 PolarHBondContact O-N 3.4Å; F179-Q182 PolarHBondContact O-N 3.41Å; L180-Q182 VanDerWaalsContact C-N 3.34Å; L180-Q182 PolarHBondContact O-N 3.44Å
183E90.8Very high90.1Very high14 Ų1450.7 Ų50.77%0.06524%0.239CC..  trans-65.4152.1-175.8-178.958.4-96.100111.7R151 F179 D185 C188 K189R151-E183 IonicContact CZ-OE1 3.6Å; R151-E183 IonicContact CZ-OE2 3.69Å; R151-E183 VanDerWaalsContact CZ-OE2 3.29Å; R151-E183 IonicContact NE-OE1 3.44Å; R151-E183 IonicContact NE-OE2 3.28Å; R151-E183 PolarHBondContact NE-OE2 2.85Å; R151-E183 IonicContact NH2-OE1 2.7Å; R151-E183 PolarHBondContact NH2-OE1 3.44Å; R151-E183 IonicContact NH2-OE2 3.18Å; R151-E183 PolarHBondContact NH2-OE2 2.88Å; R151-E183 VanDerWaalsContact NH2-OE2 3.17Å; F179-E183 HydrophobicContact CE1-CB 4.24Å; F179-E183 HydrophobicContact CE1-CG 4.23Å; F179-E183 HydrophobicContact CZ-CB 4.24Å; F179-E183 HydrophobicContact CZ-CG 4.05Å; F179-E183 VanDerWaalsContact CZ-OE2 3.3Å; F179-E183 WeakPolarHBondContact CZ-OE2 3.44Å; F179-E183 WeakPolarHBondContact O-CB 3.4Å; F179-E183 PolarHBondContact O-N 3.42Å; E183-D185 HydrophobicContact CG-CB 4.42Å; E183-D185 WeakPolarHBondContact OE1-CB 3.35Å; E183-D185 PolarHBondContact OE1-N 3.02Å; E183-C188 HydrophobicContact CG-CB 3.55Å; E183-K189 HydrophobicContact CB-CG 4.3Å; E183-K189 HydrophobicContact CG-CG 4.13Å; E183-K189 WeakPolarHBondContact O-CE 3.44Å; E183-K189 PolarHBondContact O-NZ 3.37Å
184Q87.1Confident89.9Confident151 Ų15153.5 Ų53.571%0.70625%0.252SS*.  trans-118.5-26.4176.5-61.6-59.5-29.600111.8S186Q184-S186 PolarHBondContact O-N 3.18Å
185D89.8Confident89.8Confident57 Ų5748.6 Ų48.631%0.30523%0.229SC..  trans-68.8123.6178.9-178.681000112.1A148 E183 S187 C188 K189A148-D185 HydrophobicContact CB-CB 3.91Å; E183-D185 HydrophobicContact CG-CB 4.42Å; E183-D185 WeakPolarHBondContact OE1-CB 3.35Å; E183-D185 PolarHBondContact OE1-N 3.02Å; D185-S187 VanDerWaalsContact C-N 3.3Å; D185-S187 PolarHBondContact O-N 2.96Å; D185-S187 WeakPolarHBondContact OD2-CA 3.4Å; D185-S187 VanDerWaalsContact OD2-CB 3.27Å; D185-S187 WeakPolarHBondContact OD2-CB 3.38Å; D185-S187 PolarHBondContact OD2-N 2.71Å; D185-C188 HydrophobicContact CB-CB 4.11Å; D185-C188 PolarHBondContact O-N 3.3Å; D185-C188 PolarHBondContact OD2-N 3.4Å; D185-C188 PolarHBondContact OD2-SG 2.74Å; D185-K189 WeakPolarHBondContact O-CG 3.49Å; D185-K189 PolarHBondContact O-N 3.12Å
186S85.9Confident89.7Confident57 Ų5745.9 Ų45.940%0.39922%0.217SC..Hα-helixtrans-59.5-37.2-177.7-178.20000113.1Q184 R190Q184-S186 PolarHBondContact O-N 3.18Å; S186-R190 WeakPolarHBondContact O-CB 3.48Å; S186-R190 PolarHBondContact O-N 3.33Å
187S87.2Confident89.2Confident30 Ų3046.9 Ų46.921%0.2122%0.223CC..Hα-helixtrans-71.8-38.2-178.6-158.50000111.9R152 D185 N191R152-S187 WeakPolarHBondContact CD-OG 3.29Å; D185-S187 VanDerWaalsContact C-N 3.3Å; D185-S187 PolarHBondContact O-N 2.96Å; D185-S187 WeakPolarHBondContact OD2-CA 3.4Å; D185-S187 VanDerWaalsContact OD2-CB 3.27Å; D185-S187 WeakPolarHBondContact OD2-CB 3.38Å; D185-S187 PolarHBondContact OD2-N 2.71Å; S187-N191 PolarHBondContact O-N 3.37Å
188C91.7Very high88.9Confident0 Ų050.5 Ų50.50%024%0.238CC..Hα-helixtrans-66.3-48.3174-62.40000111.2A148 F179 E183 D185 R190 N191 A192A148-C188 PolarHBondContact O-SG 2.75Å; F179-C188 HydrophobicContact CE1-CB 4.14Å; F179-C188 HydrophobicContact CZ-CB 3.99Å; E183-C188 HydrophobicContact CG-CB 3.55Å; D185-C188 HydrophobicContact CB-CB 4.11Å; D185-C188 PolarHBondContact O-N 3.3Å; D185-C188 PolarHBondContact OD2-N 3.4Å; D185-C188 PolarHBondContact OD2-SG 2.74Å; C188-R190 VanDerWaalsContact C-N 3.3Å; C188-R190 PolarHBondContact O-N 3.18Å; C188-N191 PolarHBondContact O-N 3.07Å; C188-A192 WeakPolarHBondContact O-CB 3.3Å; C188-A192 PolarHBondContact O-N 3.45Å
189K89Confident88.7Confident30 Ų3044.6 Ų44.613%0.1322%0.22CC..Hα-helixtrans-54.8-46.1174.3-72.8-166.2177.2-174.70111.8L180 E183 D185 N191 A192 F193 L222L180-K189 HydrophobicContact CD1-CB 3.81Å; L180-K189 HydrophobicContact CD1-CG 3.94Å; L180-K189 WeakPolarHBondContact CD1-O 3.27Å; E183-K189 HydrophobicContact CB-CG 4.3Å; E183-K189 HydrophobicContact CG-CG 4.13Å; E183-K189 WeakPolarHBondContact O-CE 3.44Å; E183-K189 PolarHBondContact O-NZ 3.37Å; D185-K189 WeakPolarHBondContact O-CG 3.49Å; D185-K189 PolarHBondContact O-N 3.12Å; K189-N191 PolarHBondContact O-N 3.46Å; K189-A192 PolarHBondContact O-N 3.17Å; K189-F193 VanDerWaalsContact O-CB 3.3Å; K189-F193 WeakPolarHBondContact O-CB 3.16Å; K189-F193 PolarHBondContact O-N 3.27Å; K189-L222 HydrophobicContact CB-CD2 4.34Å
190R87.2Confident88.3Confident63 Ų6344.7 Ų44.724%0.23822%0.224CC..Hα-helixtrans-55-52177-175.9-158.665-179.24.4112.2S186 C188 A192 F193 M194 I221 I225S186-R190 WeakPolarHBondContact O-CB 3.48Å; S186-R190 PolarHBondContact O-N 3.33Å; C188-R190 VanDerWaalsContact C-N 3.3Å; C188-R190 PolarHBondContact O-N 3.18Å; R190-A192 VanDerWaalsContact C-N 3.32Å; R190-A192 PolarHBondContact O-N 2.97Å; R190-F193 PolarHBondContact O-N 3.17Å; R190-M194 VanDerWaalsContact O-CB 3.27Å; R190-M194 WeakPolarHBondContact O-CB 3.31Å; R190-M194 PolarHBondContact O-N 3.23Å; R190-I221 HydrophobicContact CG-CG2 4.23Å; R190-I225 HydrophobicContact CG-CD1 3.55Å
191N90.7Very high87.9Confident4 Ų448.3 Ų48.32%0.02124%0.241CC..Hα-helixtrans-66.1-37.1-178.6-73.98.5000111.9R152 V155 L156 S187 C188 K189 M194 M195R152-N191 WeakPolarHBondContact CG-ND2 3.31Å; R152-N191 PolarHBondContact O-ND2 3.22Å; R152-N191 VanDerWaalsContact O-ND2 3.08Å; V155-N191 HydrophobicContact CB-CB 4.23Å; V155-N191 VanDerWaalsContact CG1-C 3.48Å; V155-N191 HydrophobicContact CG1-CB 3.85Å; V155-N191 WeakPolarHBondContact CG1-O 3.21Å; L156-N191 WeakPolarHBondContact CD1-ND2 3.11Å; L156-N191 HydrophobicContact CD2-CB 4.32Å; L156-N191 VanDerWaalsContact CG-ND2 3.27Å; L156-N191 WeakPolarHBondContact CG-ND2 3.24Å; S187-N191 PolarHBondContact O-N 3.37Å; C188-N191 PolarHBondContact O-N 3.07Å; K189-N191 PolarHBondContact O-N 3.46Å; N191-M194 PolarHBondContact O-N 3.29Å; N191-M195 PolarHBondContact O-N 3.44Å
192A91.1Very high87.6Confident0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-67.4-45.9178.700000110.9V155 I176 F179 L180 C188 K189 R190 M195 L196V155-A192 HydrophobicContact CG1-CB 4.18Å; I176-A192 HydrophobicContact CG2-CB 3.71Å; F179-A192 HydrophobicContact CD1-CB 3.85Å; F179-A192 HydrophobicContact CE1-CB 4.08Å; L180-A192 HydrophobicContact CB-CB 4.11Å; L180-A192 HydrophobicContact CD1-CB 4.09Å; C188-A192 WeakPolarHBondContact O-CB 3.3Å; C188-A192 PolarHBondContact O-N 3.45Å; K189-A192 PolarHBondContact O-N 3.17Å; R190-A192 VanDerWaalsContact C-N 3.32Å; R190-A192 PolarHBondContact O-N 2.97Å; A192-M195 PolarHBondContact O-N 3.35Å; A192-L196 WeakPolarHBondContact O-CG 3.37Å; A192-L196 PolarHBondContact O-N 3.06Å
193F89Confident87.4Confident3 Ų340.3 Ų40.31%0.01321%0.212CC..Hα-helixtrans-63.2-42.2175.1-168.7-104000112.1L180 K189 R190 M195 L196 L197 A204 Y207 L208 L222 I225 I226 L229L180-F193 HydrophobicContact CD1-CB 4.47Å; L180-F193 HydrophobicContact CD2-CB 4.28Å; L180-F193 HydrophobicContact CD2-CD2 3.99Å; K189-F193 VanDerWaalsContact O-CB 3.3Å; K189-F193 WeakPolarHBondContact O-CB 3.16Å; K189-F193 PolarHBondContact O-N 3.27Å; R190-F193 PolarHBondContact O-N 3.17Å; F193-M195 VanDerWaalsContact C-N 3.33Å; F193-M195 PolarHBondContact O-N 3.15Å; F193-L196 PolarHBondContact O-N 3.12Å; F193-L197 VanDerWaalsContact O-CB 3.28Å; F193-L197 WeakPolarHBondContact O-CB 3.42Å; F193-L197 PolarHBondContact O-N 3.48Å; F193-A204 HydrophobicContact CE2-CB 4.29Å; F193-Y207 AromaticContact CD2-CD1 3.95Å; F193-Y207 HydrophobicContact CD2-CD1 3.95Å; F193-Y207 HydrophobicContact CD2-CE1 4.32Å; F193-Y207 AromaticContact CE2-CD1 3.95Å; F193-Y207 HydrophobicContact CE2-CD1 3.95Å; F193-L208 HydrophobicContact CE2-CB 4.27Å; F193-L208 HydrophobicContact CZ-CB 4.26Å; F193-L222 HydrophobicContact CB-CD1 4.01Å; F193-L222 HydrophobicContact CD1-CD1 3.74Å; F193-L222 HydrophobicContact CE1-CD1 4.48Å; F193-L222 HydrophobicContact CG-CD1 4.01Å; F193-I225 HydrophobicContact CD1-CG2 4.04Å; F193-I225 HydrophobicContact CE1-CG2 4.25Å; F193-I226 HydrophobicContact CD1-CG1 4.45Å; F193-I226 HydrophobicContact CE1-CG1 3.74Å; F193-I226 HydrophobicContact CZ-CG1 4.07Å; F193-L229 HydrophobicContact CE1-CD2 3.72Å; F193-L229 HydrophobicContact CE2-CD2 4.48Å; F193-L229 HydrophobicContact CZ-CD2 3.42Å; F193-L229 VanDerWaalsContact CZ-CD2 3.42Å
194M86.3Confident87.1Confident69 Ų6939.6 Ų39.634%0.3421%0.209SC..Hα-helixtrans-61.1-40.7175.4-174.4-176.7-169.600111.9R190 N191 L197 H198R190-M194 VanDerWaalsContact O-CB 3.27Å; R190-M194 WeakPolarHBondContact O-CB 3.31Å; R190-M194 PolarHBondContact O-N 3.23Å; N191-M194 PolarHBondContact O-N 3.29Å; M194-L197 WeakPolarHBondContact O-CB 3.34Å; M194-L197 PolarHBondContact O-N 3.07Å; M194-H198 PolarHBondContact O-CD2 2.84Å; M194-H198 PolarHBondContact O-N 2.88Å; M194-H198 VanDerWaalsContact O-N 3.17Å
195M89.5Confident86.9Confident1 Ų133.1 Ų33.11%0.00518%0.179CC..Hα-helixtrans-62.1-51.2173.9174.8178.4165.600111.1I158 F159 A172 I176 N191 A192 F193 L197 H198 V199I158-M195 HydrophobicContact CG2-CE 3.82Å; I158-M195 HydrophobicContact CG2-SD 4.02Å; F159-M195 HydrophobicContact CB-CB 3.96Å; F159-M195 HydrophobicContact CB-CG 3.73Å; F159-M195 HydrophobicContact CB-SD 3.74Å; F159-M195 HydrophobicContact CD2-CB 4.16Å; F159-M195 HydrophobicContact CD2-CG 3.71Å; F159-M195 HydrophobicContact CG-CB 3.98Å; F159-M195 HydrophobicContact CG-CG 3.88Å; A172-M195 HydrophobicContact CB-CE 3.68Å; I176-M195 HydrophobicContact CB-SD 4.27Å; I176-M195 HydrophobicContact CD1-SD 4.15Å; I176-M195 HydrophobicContact CG1-CE 3.9Å; I176-M195 HydrophobicContact CG1-SD 3.64Å; I176-M195 HydrophobicContact CG2-SD 4.15Å; N191-M195 PolarHBondContact O-N 3.44Å; A192-M195 PolarHBondContact O-N 3.35Å; F193-M195 VanDerWaalsContact C-N 3.33Å; F193-M195 PolarHBondContact O-N 3.15Å; M195-L197 PolarHBondContact O-N 3.33Å; M195-H198 PolarHBondContact O-N 3.24Å; M195-V199 HydrophobicContact CE-CG2 4.47Å; M195-V199 HydrophobicContact CG-CG2 4.1Å; M195-V199 VanDerWaalsContact O-CB 3.3Å; M195-V199 WeakPolarHBondContact O-CB 3.49Å; M195-V199 WeakPolarHBondContact O-CG2 3.39Å; M195-V199 PolarHBondContact O-N 3.05Å
196L88.6Confident86.6Confident0 Ų035.9 Ų35.90%019%0.194CC..Hα-helixtrans-59.4-38.6178.7-66.6177.6000111.3P173 I176 L177 L180 A192 F193 H198 V199 S200 Q201 T203 A204P173-L196 HydrophobicContact CB-CD2 4.35Å; P173-L196 WeakPolarHBondContact O-CD2 3.5Å; I176-L196 HydrophobicContact CB-CD2 4.3Å; I176-L196 HydrophobicContact CG2-CD2 4.2Å; I176-L196 HydrophobicContact CG2-CG 4.05Å; L177-L196 HydrophobicContact CB-CD1 4.28Å; L177-L196 HydrophobicContact CD1-CD1 4.23Å; L180-L196 HydrophobicContact CD2-CD1 3.75Å; A192-L196 WeakPolarHBondContact O-CG 3.37Å; A192-L196 PolarHBondContact O-N 3.06Å; F193-L196 PolarHBondContact O-N 3.12Å; L196-H198 PolarHBondContact O-N 3.48Å; L196-V199 PolarHBondContact O-N 3.39Å; L196-S200 CarbonylContact O-C 3.6Å; L196-S200 WeakPolarHBondContact O-CA 3.34Å; L196-S200 PolarHBondContact O-N 3.39Å; L196-Q201 PolarHBondContact O-N 3.18Å; L196-T203 HydrophobicContact CD2-CG2 4.44Å; L196-A204 HydrophobicContact CB-CB 3.89Å
197L84.5Confident86.6Confident21 Ų2134.1 Ų34.111%0.1118%0.179CC..Hα-helixtrans-56.7-48.3175.8169.559.9000112.4F193 M194 M195 I225 L229F193-L197 VanDerWaalsContact O-CB 3.28Å; F193-L197 WeakPolarHBondContact O-CB 3.42Å; F193-L197 PolarHBondContact O-N 3.48Å; M194-L197 WeakPolarHBondContact O-CB 3.34Å; M194-L197 PolarHBondContact O-N 3.07Å; M195-L197 PolarHBondContact O-N 3.33Å; L197-I225 HydrophobicContact CD2-CG2 3.8Å; L197-L229 HydrophobicContact CD1-CB 4.12Å; L197-L229 HydrophobicContact CD1-CD1 3.23Å; L197-L229 HydrophobicContact CD1-CD2 4.06Å; L197-L229 HydrophobicContact CD1-CG 3.96Å
198H84Confident86.5Confident113 Ų11332.7 Ų32.752%0.52317%0.169SC..Hα-helixtrans-80.3-28.9-177.8-74.4-67.6000114F159 M194 M195 L196F159-H198 HydrophobicContact CE2-CB 3.82Å; F159-H198 HydrophobicContact CZ-CB 3.66Å; F159-H198 AromaticContact CZ-CD2 3.86Å; F159-H198 AromaticContact CZ-CG 3.95Å; M194-H198 PolarHBondContact O-CD2 2.84Å; M194-H198 PolarHBondContact O-N 2.88Å; M194-H198 VanDerWaalsContact O-N 3.17Å; M195-H198 PolarHBondContact O-N 3.24Å; L196-H198 PolarHBondContact O-N 3.48Å
199V87.1Confident86Confident39 Ų3934.3 Ų34.324%0.23618%0.178CC..Hα-helixtrans-93.2-48.7-175.5169.80000112F159 Y162 P173 M195 L196F159-V199 HydrophobicContact CD2-CG2 3.9Å; F159-V199 HydrophobicContact CE2-CG2 3.89Å; Y162-V199 HydrophobicContact CD1-CB 4.35Å; Y162-V199 HydrophobicContact CD1-CG1 3.7Å; Y162-V199 HydrophobicContact CD1-CG2 3.67Å; Y162-V199 HydrophobicContact CE1-CB 4.15Å; Y162-V199 HydrophobicContact CE1-CG1 3.16Å; Y162-V199 HydrophobicContact CE1-CG2 3.94Å; P173-V199 HydrophobicContact CG-CG1 3.78Å; M195-V199 HydrophobicContact CE-CG2 4.47Å; M195-V199 HydrophobicContact CG-CG2 4.1Å; M195-V199 VanDerWaalsContact O-CB 3.3Å; M195-V199 WeakPolarHBondContact O-CB 3.49Å; M195-V199 WeakPolarHBondContact O-CG2 3.39Å; M195-V199 PolarHBondContact O-N 3.05Å; L196-V199 PolarHBondContact O-N 3.39Å
200S85.2Confident85.8Confident24 Ų2437.2 Ų37.217%0.16820%0.202CC..  trans-142.679-172-172.50000110.7L196 S202 T203 A204L196-S200 CarbonylContact O-C 3.6Å; L196-S200 WeakPolarHBondContact O-CA 3.34Å; L196-S200 PolarHBondContact O-N 3.39Å; S200-S202 PolarHBondContact O-N 2.93Å; S200-S202 PolarHBondContact OG-OG 2.84Å; S200-T203 PolarHBondContact O-N 3.25Å; S200-T203 WeakPolarHBondContact OG-CB 3.28Å; S200-T203 PolarHBondContact OG-OG1 3.44Å; S200-A204 PolarHBondContact O-N 3.08Å; S200-A204 VanDerWaalsContact O-N 3.08Å
201Q82.2Confident85.7Confident77 Ų7734.6 Ų34.636%0.3619%0.194SC..Hα-helixtrans-57-33.1-177.8-167.5-179.827.800112.7L196 A204 L205 L229 V233L196-Q201 PolarHBondContact O-N 3.18Å; Q201-A204 PolarHBondContact O-N 3.49Å; Q201-L205 HydrophobicContact CG-CD1 4.49Å; Q201-L205 WeakPolarHBondContact O-CB 3.37Å; Q201-L205 VanDerWaalsContact O-CG 3.23Å; Q201-L205 WeakPolarHBondContact O-CG 3.27Å; Q201-L205 PolarHBondContact O-N 2.75Å; Q201-L229 HydrophobicContact CG-CD1 4.23Å; Q201-V233 HydrophobicContact CG-CG2 4.25Å
202S83.6Confident85.2Confident65 Ų6535.6 Ų35.646%0.45520%0.199SC..Hα-helixtrans-59.8-47.6174.650.50000112.1S200 L205 D206S200-S202 PolarHBondContact O-N 2.93Å; S200-S202 PolarHBondContact OG-OG 2.84Å; S202-L205 WeakPolarHBondContact O-CB 3.5Å; S202-L205 PolarHBondContact O-N 3.16Å; S202-D206 PolarHBondContact O-N 3.04Å
203T85Confident84.7Confident28 Ų2841.4 Ų41.417%0.17223%0.23CC..Hα-helixtrans-68-39.6-178.9-50.10000111.4L177 L196 S200 L205 D206 Y207L177-T203 HydrophobicContact CB-CG2 4.11Å; L177-T203 HydrophobicContact CD1-CG2 4.09Å; L177-T203 HydrophobicContact CD2-CG2 3.67Å; L177-T203 HydrophobicContact CG-CG2 4.16Å; L196-T203 HydrophobicContact CD2-CG2 4.44Å; S200-T203 PolarHBondContact O-N 3.25Å; S200-T203 WeakPolarHBondContact OG-CB 3.28Å; S200-T203 PolarHBondContact OG-OG1 3.44Å; T203-L205 VanDerWaalsContact C-N 3.28Å; T203-L205 PolarHBondContact O-N 3.08Å; T203-D206 PolarHBondContact O-N 3.17Å; T203-Y207 PolarHBondContact O-N 2.94Å
204A84.7Confident84.4Confident0 Ų046.7 Ų46.70%026%0.255CS..Hα-helixtrans-61.4-38.7173.100000111.9F193 L196 S200 Q201 L208F193-A204 HydrophobicContact CE2-CB 4.29Å; L196-A204 HydrophobicContact CB-CB 3.89Å; S200-A204 PolarHBondContact O-N 3.08Å; S200-A204 VanDerWaalsContact O-N 3.08Å; Q201-A204 PolarHBondContact O-N 3.49Å; A204-L208 WeakPolarHBondContact O-CB 3.3Å; A204-L208 PolarHBondContact O-N 3.21Å
205L82.2Confident84.3Confident14 Ų1443.4 Ų43.47%0.07324%0.239CC..Hα-helixtrans-68-43176.6-79.9179.3000112.8Q201 S202 T203 Y207 L208 T209 V233 F244Q201-L205 HydrophobicContact CG-CD1 4.49Å; Q201-L205 WeakPolarHBondContact O-CB 3.37Å; Q201-L205 VanDerWaalsContact O-CG 3.23Å; Q201-L205 WeakPolarHBondContact O-CG 3.27Å; Q201-L205 PolarHBondContact O-N 2.75Å; S202-L205 WeakPolarHBondContact O-CB 3.5Å; S202-L205 PolarHBondContact O-N 3.16Å; T203-L205 VanDerWaalsContact C-N 3.28Å; T203-L205 PolarHBondContact O-N 3.08Å; L205-Y207 VanDerWaalsContact C-N 3.32Å; L205-Y207 PolarHBondContact O-N 3.25Å; L205-L208 PolarHBondContact O-N 2.82Å; L205-T209 WeakPolarHBondContact O-CB 3.49Å; L205-T209 PolarHBondContact O-N 3.43Å; L205-T209 PolarHBondContact O-OG1 3.32Å; L205-V233 HydrophobicContact CD1-CB 4.46Å; L205-V233 HydrophobicContact CD1-CG1 3.79Å; L205-V233 HydrophobicContact CD1-CG2 3.81Å; L205-V233 HydrophobicContact CD2-CB 4.28Å; L205-V233 HydrophobicContact CD2-CG1 3.98Å; L205-V233 HydrophobicContact CD2-CG2 3.8Å; L205-V233 HydrophobicContact CG-CG1 4.49Å; L205-V233 HydrophobicContact CG-CG2 4.09Å; L205-F244 HydrophobicContact CD2-CE2 4.38Å; L205-F244 HydrophobicContact CD2-CZ 3.7Å
206D84.5Confident84Confident115 Ų11548.7 Ų48.762%0.61526%0.263SS*.Hα-helixtrans-62.2-42.2177.2-68.1-26.5000110.9S202 T203 T209 S210S202-D206 PolarHBondContact O-N 3.04Å; T203-D206 PolarHBondContact O-N 3.17Å; D206-T209 WeakPolarHBondContact O-CB 3.38Å; D206-T209 PolarHBondContact O-N 3.47Å; D206-S210 PolarHBondContact O-N 3.28Å; D206-S210 VanDerWaalsContact O-N 3.07Å
207Y85.1Confident83.8Confident21 Ų2154.8 Ų54.88%0.08230%0.296CS..Hα-helixtrans-64.3-49172.9177.1-91.2000112.6L177 L180 E181 F193 T203 L205 T209 S210 C211L177-Y207 HydrophobicContact CD1-CD2 3.97Å; L177-Y207 HydrophobicContact CD1-CG 4.24Å; L180-Y207 HydrophobicContact CD1-CE1 4.3Å; L180-Y207 HydrophobicContact CD2-CD1 3.55Å; L180-Y207 HydrophobicContact CD2-CD2 3.9Å; L180-Y207 HydrophobicContact CD2-CE1 3.57Å; L180-Y207 HydrophobicContact CD2-CE2 3.9Å; L180-Y207 HydrophobicContact CD2-CG 3.73Å; L180-Y207 HydrophobicContact CG-CD1 4.3Å; L180-Y207 HydrophobicContact CG-CD2 4.15Å; L180-Y207 HydrophobicContact CG-CE1 3.87Å; L180-Y207 HydrophobicContact CG-CE2 3.68Å; L180-Y207 HydrophobicContact CG-CG 4.43Å; E181-Y207 HydrophobicContact CG-CD2 4Å; E181-Y207 HydrophobicContact CG-CE2 3.95Å; F193-Y207 AromaticContact CD2-CD1 3.95Å; F193-Y207 HydrophobicContact CD2-CD1 3.95Å; F193-Y207 HydrophobicContact CD2-CE1 4.32Å; F193-Y207 AromaticContact CE2-CD1 3.95Å; F193-Y207 HydrophobicContact CE2-CD1 3.95Å; T203-Y207 PolarHBondContact O-N 2.94Å; L205-Y207 VanDerWaalsContact C-N 3.32Å; L205-Y207 PolarHBondContact O-N 3.25Å; Y207-T209 PolarHBondContact O-N 2.99Å; Y207-S210 PolarHBondContact O-N 3.49Å; Y207-S210 VanDerWaalsContact O-N 3.12Å; Y207-S210 PolarHBondContact O-OG 3.44Å; Y207-C211 VanDerWaalsContact CE1-SG 3.56Å; Y207-C211 PolarHBondContact O-N 2.78Å; Y207-C211 PolarHBondContact O-SG 3.45Å
208L84.3Confident83.8Confident0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-57.7-39177.8178.360.2000110.5F193 A204 L205 S210 C211 L212 V215 I226 L229 I230 F244F193-L208 HydrophobicContact CE2-CB 4.27Å; F193-L208 HydrophobicContact CZ-CB 4.26Å; A204-L208 WeakPolarHBondContact O-CB 3.3Å; A204-L208 PolarHBondContact O-N 3.21Å; L205-L208 PolarHBondContact O-N 2.82Å; L208-S210 VanDerWaalsContact C-N 3.35Å; L208-S210 PolarHBondContact O-N 2.88Å; L208-C211 CarbonylContact O-C 3.59Å; L208-C211 PolarHBondContact O-N 3.48Å; L208-L212 HydrophobicContact CD1-CD2 4.35Å; L208-L212 HydrophobicContact CG-CD2 4.09Å; L208-L212 WeakPolarHBondContact O-CD2 3.35Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.15Å; L208-L212 PolarHBondContact O-N 3.19Å; L208-V215 HydrophobicContact CD1-CG2 3.91Å; L208-I226 HydrophobicContact CD1-CD1 4.07Å; L208-I226 HydrophobicContact CD1-CG1 4.17Å; L208-I226 HydrophobicContact CD1-CG2 3.84Å; L208-I226 HydrophobicContact CD2-CG2 4.1Å; L208-L229 HydrophobicContact CD2-CD2 4.18Å; L208-I230 HydrophobicContact CD2-CG1 4.27Å; L208-F244 HydrophobicContact CD2-CD1 4.46Å; L208-F244 HydrophobicContact CD2-CE1 3.78Å; L208-F244 HydrophobicContact CG-CE1 4.34Å
209T82.8Confident83.8Confident33 Ų3350.7 Ų50.720%0.20228%0.282CS..Hα-helixtrans-63.7-37178.8-65.10000112.8L205 D206 Y207 R243L205-T209 WeakPolarHBondContact O-CB 3.49Å; L205-T209 PolarHBondContact O-N 3.43Å; L205-T209 PolarHBondContact O-OG1 3.32Å; D206-T209 WeakPolarHBondContact O-CB 3.38Å; D206-T209 PolarHBondContact O-N 3.47Å; Y207-T209 PolarHBondContact O-N 2.99Å; T209-R243 VanDerWaalsContact CG2-NH1 3.34Å
210S84.9Confident83.7Confident91 Ų9152.7 Ų52.764%0.63629%0.292SS*.Hα-helixtrans-74.1-25.2177.971.30000113.1D206 Y207 L208D206-S210 PolarHBondContact O-N 3.28Å; D206-S210 VanDerWaalsContact O-N 3.07Å; Y207-S210 PolarHBondContact O-N 3.49Å; Y207-S210 VanDerWaalsContact O-N 3.12Å; Y207-S210 PolarHBondContact O-OG 3.44Å; L208-S210 VanDerWaalsContact C-N 3.35Å; L208-S210 PolarHBondContact O-N 2.88Å
211C83.6Confident83.7Confident9 Ų955.4 Ų55.46%0.06130%0.303CS..THydrogen-bonded Turntrans-112.617.5-178.166.30000115.1Y207 L208 D213 E214 V215 F218Y207-C211 VanDerWaalsContact CE1-SG 3.56Å; Y207-C211 PolarHBondContact O-N 2.78Å; Y207-C211 PolarHBondContact O-SG 3.45Å; L208-C211 CarbonylContact O-C 3.59Å; L208-C211 PolarHBondContact O-N 3.48Å; C211-D213 VanDerWaalsContact C-N 3.28Å; C211-D213 PolarHBondContact O-N 2.89Å; C211-E214 PolarHBondContact O-N 3.17Å; C211-V215 PolarHBondContact O-N 3.12Å; C211-F218 HydrophobicContact CB-CZ 4.09Å
212L80.7Confident83.8Confident24 Ų2452 Ų5213%0.12629%0.288CS..G310 helixtrans-52.3-41.3-175.8-76.8173.5000114.1L208 E214 V215 R243 F244 C247L208-L212 HydrophobicContact CD1-CD2 4.35Å; L208-L212 HydrophobicContact CG-CD2 4.09Å; L208-L212 WeakPolarHBondContact O-CD2 3.35Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.15Å; L208-L212 PolarHBondContact O-N 3.19Å; L212-E214 PolarHBondContact O-N 3.43Å; L212-V215 WeakPolarHBondContact O-CG2 3.27Å; L212-V215 PolarHBondContact O-N 3.2Å; L212-R243 HydrophobicContact CD1-CG 3.91Å; L212-F244 HydrophobicContact CD2-CD1 4.31Å; L212-F244 HydrophobicContact CD2-CE1 4.26Å; L212-C247 HydrophobicContact CD2-CB 4.16Å
213D80.6Confident84.1Confident122 Ų12249.1 Ų49.165%0.65227%0.267SS*.G310 helixtrans-72.5-17.6-177.4-65-48.3000112.7C211C211-D213 VanDerWaalsContact C-N 3.28Å; C211-D213 PolarHBondContact O-N 2.89Å
214E83.8Confident84.2Confident114 Ų11450.5 Ų50.553%0.53327%0.273SS..G310 helixtrans-95.9-6.4-179.3-61.1-173.3175.800113.5C211 L212 Q216 N217 F218C211-E214 PolarHBondContact O-N 3.17Å; L212-E214 PolarHBondContact O-N 3.43Å; E214-Q216 PolarHBondContact O-N 3.2Å; E214-Q216 VanDerWaalsContact O-N 3.08Å; E214-N217 WeakPolarHBondContact O-CB 3.23Å; E214-N217 PolarHBondContact O-N 3.21Å; E214-F218 HydrophobicContact CB-CE1 4.22Å; E214-F218 HydrophobicContact CB-CZ 4.4Å
215V83.1Confident84.1Confident0 Ų051.6 Ų51.60%028%0.279CS..G310 helixtrans-56.6-32.6-174.4173.90000112.6L208 C211 L212 N217 F218 Q223 I226 L251L208-V215 HydrophobicContact CD1-CG2 3.91Å; C211-V215 PolarHBondContact O-N 3.12Å; L212-V215 WeakPolarHBondContact O-CG2 3.27Å; L212-V215 PolarHBondContact O-N 3.2Å; V215-N217 PolarHBondContact O-N 3.3Å; V215-F218 HydrophobicContact CB-CD2 4.36Å; V215-F218 HydrophobicContact CB-CE2 4.43Å; V215-F218 HydrophobicContact CG1-CD2 4.4Å; V215-F218 HydrophobicContact CG2-CD2 4.34Å; V215-F218 HydrophobicContact CG2-CE2 3.98Å; V215-F218 WeakPolarHBondContact O-CB 3.42Å; V215-F218 PolarHBondContact O-N 2.83Å; V215-F218 VanDerWaalsContact O-N 3.16Å; V215-Q223 PolarHBondContact O-NE2 3.2Å; V215-I226 HydrophobicContact CG1-CD1 4.11Å; V215-I226 HydrophobicContact CG1-CG2 4.27Å; V215-L251 HydrophobicContact CG1-CD1 4.27Å; V215-L251 HydrophobicContact CG1-CD2 3.87Å; V215-L251 HydrophobicContact CG1-CG 4.27Å
216Q82.8Confident84.3Confident113 Ų11351 Ų5153%0.52828%0.275SS..G310 helixtrans-61.5-25.5175.362.9-178.7-18.800113.9E214 Q223E214-Q216 PolarHBondContact O-N 3.2Å; E214-Q216 VanDerWaalsContact O-N 3.08Å; Q216-Q223 PolarHBondContact O-NE2 2.98Å; Q216-Q223 VanDerWaalsContact O-NE2 3.09Å
217N84.5Confident84.5Confident127 Ų12745.6 Ų45.668%0.67925%0.246SC*.G310 helixtrans-89.2-6.9-179.7-61.2-33.7000112.7E214 V215E214-N217 WeakPolarHBondContact O-CB 3.23Å; E214-N217 PolarHBondContact O-N 3.21Å; V215-N217 PolarHBondContact O-N 3.3Å
218F85.3Confident84.3Confident26 Ų2647.8 Ų47.811%0.11426%0.257CS..SBendtrans-73.4157.2178.1-64.4-13.5000111.9C211 E214 V215 L222 Q223 I226C211-F218 HydrophobicContact CB-CZ 4.09Å; E214-F218 HydrophobicContact CB-CE1 4.22Å; E214-F218 HydrophobicContact CB-CZ 4.4Å; V215-F218 HydrophobicContact CB-CD2 4.36Å; V215-F218 HydrophobicContact CB-CE2 4.43Å; V215-F218 HydrophobicContact CG1-CD2 4.4Å; V215-F218 HydrophobicContact CG2-CD2 4.34Å; V215-F218 HydrophobicContact CG2-CE2 3.98Å; V215-F218 WeakPolarHBondContact O-CB 3.42Å; V215-F218 PolarHBondContact O-N 2.83Å; V215-F218 VanDerWaalsContact O-N 3.16Å; F218-L222 HydrophobicContact CB-CB 4.43Å; F218-L222 HydrophobicContact CB-CD2 4.01Å; F218-L222 HydrophobicContact CB-CG 4.27Å; F218-L222 HydrophobicContact CD2-CD2 3.8Å; F218-L222 HydrophobicContact CD2-CG 4.13Å; F218-L222 HydrophobicContact CE2-CD2 4.43Å; F218-L222 HydrophobicContact CG-CD2 3.89Å; F218-L222 HydrophobicContact CG-CG 4.45Å; F218-Q223 HydrophobicContact CB-CG 4.18Å; F218-Q223 PolarHBondContact O-NE2 2.67Å; F218-I226 HydrophobicContact CD2-CD1 3.58Å; F218-I226 HydrophobicContact CE2-CD1 3.95Å
219G84.3Confident84.3Confident22 Ų2247.8 Ų47.823%0.22726%0.258CS..  trans-60.9148172.600000111.7I221 L222 Q223G219-I221 VanDerWaalsContact C-N 3.31Å; G219-I221 PolarHBondContact O-N 3.09Å; G219-L222 WeakPolarHBondContact O-CB 3.36Å; G219-L222 PolarHBondContact O-N 2.97Å; G219-Q223 PolarHBondContact O-N 2.96Å
220D85.6Confident84.3Confident82 Ų8246.2 Ų46.244%0.43925%0.248SC..Hα-helixtrans-50.2-43.9-179.759.6-15.2000114L222 Q223 L224 V259D220-L222 VanDerWaalsContact C-N 3.33Å; D220-L222 PolarHBondContact O-N 3.37Å; D220-Q223 WeakPolarHBondContact O-CB 3.26Å; D220-Q223 PolarHBondContact O-N 3.43Å; D220-L224 WeakPolarHBondContact O-CG 3.41Å; D220-L224 PolarHBondContact O-N 2.89Å; D220-V259 HydrophobicContact CB-CG2 4.21Å
221I84.6Confident84.2Confident80 Ų8042.1 Ų42.141%0.4122%0.219SC..Hα-helixtrans-64-39.6178.2-54.9172.7000111.2R190 G219 L224 I225R190-I221 HydrophobicContact CG-CG2 4.23Å; G219-I221 VanDerWaalsContact C-N 3.31Å; G219-I221 PolarHBondContact O-N 3.09Å; I221-L224 PolarHBondContact O-N 3.21Å; I221-I225 HydrophobicContact CG2-CD1 4.41Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 3.45Å; I221-I225 VanDerWaalsContact O-N 3.16Å
222L84.7Confident84.1Confident7 Ų745 Ų454%0.03723%0.23CC..Hα-helixtrans-69.5-39.2176.9178.155.8000110.6K189 F193 F218 G219 D220 L224 I225 I226K189-L222 HydrophobicContact CB-CD2 4.34Å; F193-L222 HydrophobicContact CB-CD1 4.01Å; F193-L222 HydrophobicContact CD1-CD1 3.74Å; F193-L222 HydrophobicContact CE1-CD1 4.48Å; F193-L222 HydrophobicContact CG-CD1 4.01Å; F218-L222 HydrophobicContact CB-CB 4.43Å; F218-L222 HydrophobicContact CB-CD2 4.01Å; F218-L222 HydrophobicContact CB-CG 4.27Å; F218-L222 HydrophobicContact CD2-CD2 3.8Å; F218-L222 HydrophobicContact CD2-CG 4.13Å; F218-L222 HydrophobicContact CE2-CD2 4.43Å; F218-L222 HydrophobicContact CG-CD2 3.89Å; F218-L222 HydrophobicContact CG-CG 4.45Å; G219-L222 WeakPolarHBondContact O-CB 3.36Å; G219-L222 PolarHBondContact O-N 2.97Å; D220-L222 VanDerWaalsContact C-N 3.33Å; D220-L222 PolarHBondContact O-N 3.37Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.24Å; L222-I225 PolarHBondContact O-N 3.33Å; L222-I226 HydrophobicContact CD1-CD1 4.12Å; L222-I226 HydrophobicContact CD1-CG1 4.26Å; L222-I226 HydrophobicContact CG-CD1 3.92Å; L222-I226 VanDerWaalsContact O-CG1 3.26Å; L222-I226 WeakPolarHBondContact O-CG1 3.45Å; L222-I226 PolarHBondContact O-N 2.74Å
223Q88.9Confident84Confident4 Ų444 Ų442%0.01923%0.225CC..Hα-helixtrans-58.3-43173-68.9179.9-14.300111.7V215 Q216 F218 G219 D220 I226 V227 L251 S254 V259V215-Q223 PolarHBondContact O-NE2 3.2Å; Q216-Q223 PolarHBondContact O-NE2 2.98Å; Q216-Q223 VanDerWaalsContact O-NE2 3.09Å; F218-Q223 HydrophobicContact CB-CG 4.18Å; F218-Q223 PolarHBondContact O-NE2 2.67Å; G219-Q223 PolarHBondContact O-N 2.96Å; D220-Q223 WeakPolarHBondContact O-CB 3.26Å; D220-Q223 PolarHBondContact O-N 3.43Å; Q223-I226 WeakPolarHBondContact O-CB 3.36Å; Q223-I226 PolarHBondContact O-N 3.42Å; Q223-V227 WeakPolarHBondContact O-CG2 3.44Å; Q223-V227 PolarHBondContact O-N 2.93Å; Q223-L251 HydrophobicContact CB-CD2 4Å; Q223-L251 HydrophobicContact CG-CD2 3.82Å; Q223-S254 PolarHBondContact OE1-OG 3.35Å; Q223-V259 HydrophobicContact CB-CG1 3.92Å; Q223-V259 HydrophobicContact CB-CG2 3.82Å
224L86.7Confident84Confident56 Ų5638.2 Ų38.229%0.29319%0.194SC..Hα-helixtrans-60.9-46.2176.4-72172.8000112.4D220 I221 L222 I226 V227 E228 A258 V259 E262D220-L224 WeakPolarHBondContact O-CG 3.41Å; D220-L224 PolarHBondContact O-N 2.89Å; I221-L224 PolarHBondContact O-N 3.21Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.24Å; L224-I226 VanDerWaalsContact C-N 3.26Å; L224-I226 PolarHBondContact O-N 3.38Å; L224-V227 PolarHBondContact O-N 2.92Å; L224-E228 PolarHBondContact O-N 3.44Å; L224-A258 HydrophobicContact CD1-CB 4.46Å; L224-A258 HydrophobicContact CD2-CB 4.44Å; L224-V259 HydrophobicContact CD2-CG2 3.99Å; L224-V259 HydrophobicContact CG-CG2 3.91Å; L224-E262 HydrophobicContact CD2-CB 4.21Å; L224-E262 HydrophobicContact CD2-CG 4.06Å
225I83.8Confident83.6Confident24 Ų2434.8 Ų34.812%0.12318%0.179CC..Hα-helixtrans-61.7-38.5176.2-64.6168.9000110.6R190 F193 L197 I221 L222 E228 L229R190-I225 HydrophobicContact CG-CD1 3.55Å; F193-I225 HydrophobicContact CD1-CG2 4.04Å; F193-I225 HydrophobicContact CE1-CG2 4.25Å; L197-I225 HydrophobicContact CD2-CG2 3.8Å; I221-I225 HydrophobicContact CG2-CD1 4.41Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 3.45Å; I221-I225 VanDerWaalsContact O-N 3.16Å; L222-I225 PolarHBondContact O-N 3.33Å; I225-E228 PolarHBondContact O-N 3.3Å; I225-L229 WeakPolarHBondContact O-CB 3.39Å; I225-L229 PolarHBondContact O-N 2.93Å
226I86.5Confident83.3Confident1 Ų138.1 Ų38.11%0.00521%0.207CC..Hα-helixtrans-65.3-41.5176.2-70.9166.3000111.1F193 L208 V215 F218 L222 Q223 L224 L229 I230F193-I226 HydrophobicContact CD1-CG1 4.45Å; F193-I226 HydrophobicContact CE1-CG1 3.74Å; F193-I226 HydrophobicContact CZ-CG1 4.07Å; L208-I226 HydrophobicContact CD1-CD1 4.07Å; L208-I226 HydrophobicContact CD1-CG1 4.17Å; L208-I226 HydrophobicContact CD1-CG2 3.84Å; L208-I226 HydrophobicContact CD2-CG2 4.1Å; V215-I226 HydrophobicContact CG1-CD1 4.11Å; V215-I226 HydrophobicContact CG1-CG2 4.27Å; F218-I226 HydrophobicContact CD2-CD1 3.58Å; F218-I226 HydrophobicContact CE2-CD1 3.95Å; L222-I226 HydrophobicContact CD1-CD1 4.12Å; L222-I226 HydrophobicContact CD1-CG1 4.26Å; L222-I226 HydrophobicContact CG-CD1 3.92Å; L222-I226 VanDerWaalsContact O-CG1 3.26Å; L222-I226 WeakPolarHBondContact O-CG1 3.45Å; L222-I226 PolarHBondContact O-N 2.74Å; Q223-I226 WeakPolarHBondContact O-CB 3.36Å; Q223-I226 PolarHBondContact O-N 3.42Å; L224-I226 VanDerWaalsContact C-N 3.26Å; L224-I226 PolarHBondContact O-N 3.38Å; I226-L229 PolarHBondContact O-N 2.88Å; I226-I230 HydrophobicContact CG2-CD1 3.71Å; I226-I230 HydrophobicContact CG2-CG1 4.21Å; I226-I230 WeakPolarHBondContact O-CB 3.5Å; I226-I230 VanDerWaalsContact O-CG1 3.23Å; I226-I230 WeakPolarHBondContact O-CG1 3.49Å; I226-I230 PolarHBondContact O-N 3.36Å
227V87.3Confident83Confident1 Ų138 Ų381%0.00620%0.204CC..Hα-helixtrans-61-46.2175.8173.40000110.9Q223 L224 L229 I230 Y231 L251 E262 A263 T266Q223-V227 WeakPolarHBondContact O-CG2 3.44Å; Q223-V227 PolarHBondContact O-N 2.93Å; L224-V227 PolarHBondContact O-N 2.92Å; V227-L229 VanDerWaalsContact C-N 3.33Å; V227-L229 PolarHBondContact O-N 3.03Å; V227-I230 PolarHBondContact O-N 3.31Å; V227-Y231 PolarHBondContact O-N 2.93Å; V227-L251 HydrophobicContact CG2-CD1 3.62Å; V227-E262 HydrophobicContact CG1-CB 4.22Å; V227-A263 HydrophobicContact CG2-CB 4.34Å; V227-T266 HydrophobicContact CG1-CG2 4.4Å; V227-T266 WeakPolarHBondContact CG1-OG1 3.44Å
228E82.3Confident82.7Confident67 Ų6735.6 Ų35.631%0.31320%0.196SC..Hα-helixtrans-60.6-42.9176.4-169.4-169.7150.600111.5L224 I225 Y231 K232 F748L224-E228 PolarHBondContact O-N 3.44Å; I225-E228 PolarHBondContact O-N 3.3Å; E228-Y231 WeakPolarHBondContact O-CB 3.47Å; E228-Y231 PolarHBondContact O-N 3.18Å; E228-K232 HydrophobicContact CG-CD 4.48Å; E228-K232 PolarHBondContact O-N 3.16Å; E228-K232 IonicContact OE1-NZ 3.02Å; E228-K232 PolarHBondContact OE1-NZ 3.35Å; E228-F748 HydrophobicContact CB-CE2 4.5Å; E228-F748 HydrophobicContact CB-CZ 4.43Å; E228-F748 HydrophobicContact CG-CD2 4.31Å; E228-F748 HydrophobicContact CG-CE2 3.99Å; E228-F748 HydrophobicContact CG-CZ 4.21Å
229L83.1Confident82.3Confident1 Ų139.1 Ų39.11%0.00522%0.224CC..Hα-helixtrans-63.5-48.4176172.154.3000112F193 L197 Q201 L208 I225 I226 V227 Y231 K232 V233F193-L229 HydrophobicContact CE1-CD2 3.72Å; F193-L229 HydrophobicContact CE2-CD2 4.48Å; F193-L229 HydrophobicContact CZ-CD2 3.42Å; F193-L229 VanDerWaalsContact CZ-CD2 3.42Å; L197-L229 HydrophobicContact CD1-CB 4.12Å; L197-L229 HydrophobicContact CD1-CD1 3.23Å; L197-L229 HydrophobicContact CD1-CD2 4.06Å; L197-L229 HydrophobicContact CD1-CG 3.96Å; Q201-L229 HydrophobicContact CG-CD1 4.23Å; L208-L229 HydrophobicContact CD2-CD2 4.18Å; I225-L229 WeakPolarHBondContact O-CB 3.39Å; I225-L229 PolarHBondContact O-N 2.93Å; I226-L229 PolarHBondContact O-N 2.88Å; V227-L229 VanDerWaalsContact C-N 3.33Å; V227-L229 PolarHBondContact O-N 3.03Å; L229-Y231 PolarHBondContact O-N 3.04Å; L229-K232 PolarHBondContact O-N 2.67Å; L229-V233 HydrophobicContact CD1-CG2 3.51Å; L229-V233 HydrophobicContact CG-CG2 4.37Å; L229-V233 WeakPolarHBondContact O-CB 3.47Å; L229-V233 WeakPolarHBondContact O-CG2 3.49Å; L229-V233 PolarHBondContact O-N 3.28Å
230I84.1Confident81.9Confident0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-55.5-43.5177.9-75.1170.8000109.7L208 I226 V227 V233 C234 F244 C247 I248 L270L208-I230 HydrophobicContact CD2-CG1 4.27Å; I226-I230 HydrophobicContact CG2-CD1 3.71Å; I226-I230 HydrophobicContact CG2-CG1 4.21Å; I226-I230 WeakPolarHBondContact O-CB 3.5Å; I226-I230 VanDerWaalsContact O-CG1 3.23Å; I226-I230 WeakPolarHBondContact O-CG1 3.49Å; I226-I230 PolarHBondContact O-N 3.36Å; V227-I230 PolarHBondContact O-N 3.31Å; I230-V233 PolarHBondContact O-N 3.3Å; I230-C234 VanDerWaalsContact O-CB 3.27Å; I230-C234 WeakPolarHBondContact O-CB 3.33Å; I230-C234 PolarHBondContact O-N 3.28Å; I230-C234 PolarHBondContact O-SG 3.42Å; I230-F244 HydrophobicContact CD1-CB 4.44Å; I230-F244 HydrophobicContact CD1-CD1 4.08Å; I230-F244 HydrophobicContact CG1-CB 4.25Å; I230-F244 HydrophobicContact CG1-CD1 3.69Å; I230-F244 HydrophobicContact CG1-CE1 4.3Å; I230-F244 HydrophobicContact CG1-CG 4.05Å; I230-F244 HydrophobicContact CG2-CB 3.6Å; I230-F244 HydrophobicContact CG2-CG 4.06Å; I230-C247 HydrophobicContact CD1-CB 4.28Å; I230-I248 HydrophobicContact CD1-CG1 4.41Å; I230-I248 HydrophobicContact CG2-CD1 3.73Å; I230-I248 HydrophobicContact CG2-CG1 4.11Å; I230-L270 HydrophobicContact CG2-CD1 4.09Å
231Y82.3Confident81.6Confident5 Ų541.4 Ų41.42%0.0222%0.222CC..Hα-helixtrans-59.7-55176.5-179.4-103.6000111.5V227 E228 L229 V233 C234 L235 T266 T269 L270 V745 D746 R747 F748V227-Y231 PolarHBondContact O-N 2.93Å; E228-Y231 WeakPolarHBondContact O-CB 3.47Å; E228-Y231 PolarHBondContact O-N 3.18Å; L229-Y231 PolarHBondContact O-N 3.04Å; Y231-V233 VanDerWaalsContact C-N 3.3Å; Y231-V233 PolarHBondContact O-N 3.28Å; Y231-C234 PolarHBondContact O-N 3.03Å; Y231-L235 HydrophobicContact CD1-CD1 4.06Å; Y231-L235 HydrophobicContact CE1-CD1 3.51Å; Y231-L235 HydrophobicContact CE1-CG 4.44Å; Y231-L235 HydrophobicContact CE2-CD1 4.3Å; Y231-L235 HydrophobicContact CE2-CG 4.49Å; Y231-L235 WeakPolarHBondContact O-CG 3.48Å; Y231-L235 PolarHBondContact O-N 3.15Å; Y231-L235 VanDerWaalsContact O-N 3.12Å; Y231-T266 HydrophobicContact CD2-CG2 4.14Å; Y231-T269 HydrophobicContact CE2-CG2 3.81Å; Y231-L270 HydrophobicContact CD2-CD2 4.2Å; Y231-V745 PolarHBondContact OH-O 3.03Å; Y231-D746 WeakPolarHBondContact CE1-OD1 3.35Å; Y231-R747 WeakPolarHBondContact OH-CB 3.24Å; Y231-R747 PolarHBondContact OH-N 3.41Å; Y231-F748 AromaticContact CD1-CD2 3.47Å; Y231-F748 HydrophobicContact CD1-CD2 3.47Å; Y231-F748 VanDerWaalsContact CD1-CD2 3.47Å; Y231-F748 AromaticContact CD1-CE2 3.36Å; Y231-F748 HydrophobicContact CD1-CE2 3.36Å; Y231-F748 AromaticContact CE1-CD2 3.75Å; Y231-F748 HydrophobicContact CE1-CD2 3.75Å; Y231-F748 HydrophobicContact CE1-CE2 4.01Å; Y231-F748 HydrophobicContact CG-CD2 4.35Å; Y231-F748 AromaticContact CG-CE2 3.81Å; Y231-F748 HydrophobicContact CG-CE2 3.81Å
232K81Confident81.3Confident70 Ų7044.7 Ų44.730%0.30424%0.24SC..Hα-helixtrans-59-37.9179.4-73.6176173.6170.80113.1E228 L229 A236E228-K232 HydrophobicContact CG-CD 4.48Å; E228-K232 PolarHBondContact O-N 3.16Å; E228-K232 IonicContact OE1-NZ 3.02Å; E228-K232 PolarHBondContact OE1-NZ 3.35Å; L229-K232 PolarHBondContact O-N 2.67Å; K232-A236 PolarHBondContact O-N 3.41Å; K232-A236 VanDerWaalsContact O-N 3.12Å
233V79.7Confident80.9Confident2 Ų250.5 Ų50.51%0.01226%0.261CS..Hα-helixtrans-76-40.4180169.50000111.9Q201 L205 L229 I230 Y231 L235 A236 K237 F244Q201-V233 HydrophobicContact CG-CG2 4.25Å; L205-V233 HydrophobicContact CD1-CB 4.46Å; L205-V233 HydrophobicContact CD1-CG1 3.79Å; L205-V233 HydrophobicContact CD1-CG2 3.81Å; L205-V233 HydrophobicContact CD2-CB 4.28Å; L205-V233 HydrophobicContact CD2-CG1 3.98Å; L205-V233 HydrophobicContact CD2-CG2 3.8Å; L205-V233 HydrophobicContact CG-CG1 4.49Å; L205-V233 HydrophobicContact CG-CG2 4.09Å; L229-V233 HydrophobicContact CD1-CG2 3.51Å; L229-V233 HydrophobicContact CG-CG2 4.37Å; L229-V233 WeakPolarHBondContact O-CB 3.47Å; L229-V233 WeakPolarHBondContact O-CG2 3.49Å; L229-V233 PolarHBondContact O-N 3.28Å; I230-V233 PolarHBondContact O-N 3.3Å; Y231-V233 VanDerWaalsContact C-N 3.3Å; Y231-V233 PolarHBondContact O-N 3.28Å; V233-L235 PolarHBondContact O-N 3.13Å; V233-A236 PolarHBondContact O-N 3.04Å; V233-A236 VanDerWaalsContact O-N 3.16Å; V233-K237 WeakPolarHBondContact O-CA 3.39Å; V233-K237 PolarHBondContact O-N 3.01Å; V233-F244 HydrophobicContact CG1-CE2 3.86Å
234C79.3Confident80.7Confident0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-65-26.9177-69.90000112.2I230 Y231 L270I230-C234 VanDerWaalsContact O-CB 3.27Å; I230-C234 WeakPolarHBondContact O-CB 3.33Å; I230-C234 PolarHBondContact O-N 3.28Å; I230-C234 PolarHBondContact O-SG 3.42Å; Y231-C234 PolarHBondContact O-N 3.03Å; C234-L270 HydrophobicContact CB-CD1 3.88Å; C234-L270 HydrophobicContact CB-CD2 3.53Å; C234-L270 HydrophobicContact CB-CG 4.33Å
235L75.3Confident80.5Confident42 Ų4249 Ų4922%0.2225%0.253CS..Hα-helixtrans-69.8-49.5169.4-69.8179000111.8Y231 V233 D743Y231-L235 HydrophobicContact CD1-CD1 4.06Å; Y231-L235 HydrophobicContact CE1-CD1 3.51Å; Y231-L235 HydrophobicContact CE1-CG 4.44Å; Y231-L235 HydrophobicContact CE2-CD1 4.3Å; Y231-L235 HydrophobicContact CE2-CG 4.49Å; Y231-L235 WeakPolarHBondContact O-CG 3.48Å; Y231-L235 PolarHBondContact O-N 3.15Å; Y231-L235 VanDerWaalsContact O-N 3.12Å; V233-L235 PolarHBondContact O-N 3.13Å; L235-D743 WeakPolarHBondContact CD2-O 3.43Å
236A76.7Confident80.5Confident71 Ų7156.7 Ų56.759%0.58728%0.281SS*.Hα-helixtrans-72.4-36.2-177.400000113.8K232 V233K232-A236 PolarHBondContact O-N 3.41Å; K232-A236 VanDerWaalsContact O-N 3.12Å; V233-A236 PolarHBondContact O-N 3.04Å; V233-A236 VanDerWaalsContact O-N 3.16Å
237K78.3Confident80.5Confident109 Ų10956.9 Ų56.947%0.47428%0.282SS..  trans-132.686.7-175.1-66-177-177.5178.30110.5V233 S239 E240V233-K237 WeakPolarHBondContact O-CA 3.39Å; V233-K237 PolarHBondContact O-N 3.01Å; K237-S239 PolarHBondContact O-N 3.11Å; K237-S239 VanDerWaalsContact O-N 3.12Å; K237-E240 PolarHBondContact O-N 2.82Å
238P76.3Confident80.5Confident77 Ų7756.8 Ų56.850%0.528%0.282SS..G310 helixtrans-60.4-23-179.1-26.435.4000115E240 R241P238-E240 VanDerWaalsContact C-N 3.28Å; P238-E240 PolarHBondContact O-N 3.49Å; P238-R241 WeakPolarHBondContact O-CB 3.23Å; P238-R241 PolarHBondContact O-N 2.84Å
239S78.3Confident80.9Confident101 Ų10157.3 Ų57.371%0.70628%0.281SS*.G310 helixtrans-62.9-30.6-179.755.60000113.6K237 R241K237-S239 PolarHBondContact O-N 3.11Å; K237-S239 VanDerWaalsContact O-N 3.12Å; S239-R241 VanDerWaalsContact C-N 3.3Å; S239-R241 PolarHBondContact O-N 3.34Å
240E76Confident81.1Confident67 Ų6758.9 Ų58.931%0.31329%0.292SS..G310 helixtrans-83.4-6.1-178.2-62.9-56.9139.100113.4K237 P238 L242 R243 F244K237-E240 PolarHBondContact O-N 2.82Å; P238-E240 VanDerWaalsContact C-N 3.28Å; P238-E240 PolarHBondContact O-N 3.49Å; E240-L242 PolarHBondContact O-N 3.3Å; E240-R243 WeakPolarHBondContact O-CB 3.41Å; E240-R243 PolarHBondContact O-N 3.11Å; E240-R243 VanDerWaalsContact O-N 3.09Å; E240-F244 HydrophobicContact CB-CD2 3.89Å; E240-F244 HydrophobicContact CB-CE2 3.55Å; E240-F244 HydrophobicContact CG-CE2 4.38Å; E240-F244 WeakPolarHBondContact O-CD2 3.48Å; E240-F244 PolarHBondContact O-N 3.19Å
241R79.4Confident81.4Confident85 Ų8558.9 Ų58.932%0.32129%0.292SS..Hα-helixtrans-54.6-46.8-171.7-175.7-175.8-64.9-175.80.8113.3P238 S239 R243 F244 I245 L270P238-R241 WeakPolarHBondContact O-CB 3.23Å; P238-R241 PolarHBondContact O-N 2.84Å; S239-R241 VanDerWaalsContact C-N 3.3Å; S239-R241 PolarHBondContact O-N 3.34Å; R241-R243 PolarHBondContact O-N 2.89Å; R241-F244 PolarHBondContact O-N 3.3Å; R241-I245 HydrophobicContact CG-CD1 3.86Å; R241-I245 HydrophobicContact CG-CG1 4.36Å; R241-I245 VanDerWaalsContact O-CG1 3.27Å; R241-I245 WeakPolarHBondContact O-CG1 3.27Å; R241-I245 PolarHBondContact O-N 3.32Å; R241-L270 WeakPolarHBondContact CD-O 3.36Å
242L77.4Confident81.8Confident148 Ų14859.5 Ų59.578%0.77530%0.296SS*.Hα-helixtrans-60.6-35.8-178.3-70.8173.4000112.3E240E240-L242 PolarHBondContact O-N 3.3Å
243R77.1Confident82.2Confident129 Ų12964.1 Ų64.149%0.48732%0.319SS..Hα-helixtrans-70-43.5-179.3-164.6177.3-171.1162.63.9111.2T209 L212 E240 R241T209-R243 VanDerWaalsContact CG2-NH1 3.34Å; L212-R243 HydrophobicContact CD1-CG 3.91Å; E240-R243 WeakPolarHBondContact O-CB 3.41Å; E240-R243 PolarHBondContact O-N 3.11Å; E240-R243 VanDerWaalsContact O-N 3.09Å; R241-R243 PolarHBondContact O-N 2.89Å
244F83.4Confident82.7Confident2 Ų264.7 Ų64.71%0.00932%0.322CS..Hα-helixtrans-75.7-27.3179-66.7-58.2000114.2L205 L208 L212 I230 V233 E240 R241 R246 C247 I248L205-F244 HydrophobicContact CD2-CE2 4.38Å; L205-F244 HydrophobicContact CD2-CZ 3.7Å; L208-F244 HydrophobicContact CD2-CD1 4.46Å; L208-F244 HydrophobicContact CD2-CE1 3.78Å; L208-F244 HydrophobicContact CG-CE1 4.34Å; L212-F244 HydrophobicContact CD2-CD1 4.31Å; L212-F244 HydrophobicContact CD2-CE1 4.26Å; I230-F244 HydrophobicContact CD1-CB 4.44Å; I230-F244 HydrophobicContact CD1-CD1 4.08Å; I230-F244 HydrophobicContact CG1-CB 4.25Å; I230-F244 HydrophobicContact CG1-CD1 3.69Å; I230-F244 HydrophobicContact CG1-CE1 4.3Å; I230-F244 HydrophobicContact CG1-CG 4.05Å; I230-F244 HydrophobicContact CG2-CB 3.6Å; I230-F244 HydrophobicContact CG2-CG 4.06Å; V233-F244 HydrophobicContact CG1-CE2 3.86Å; E240-F244 HydrophobicContact CB-CD2 3.89Å; E240-F244 HydrophobicContact CB-CE2 3.55Å; E240-F244 HydrophobicContact CG-CE2 4.38Å; E240-F244 WeakPolarHBondContact O-CD2 3.48Å; E240-F244 PolarHBondContact O-N 3.19Å; R241-F244 PolarHBondContact O-N 3.3Å; F244-R246 PolarHBondContact O-N 3.09Å; F244-C247 WeakPolarHBondContact O-CA 3.18Å; F244-C247 WeakPolarHBondContact O-CB 3.43Å; F244-C247 PolarHBondContact O-N 3.49Å; F244-I248 WeakPolarHBondContact O-CG1 3.48Å; F244-I248 PolarHBondContact O-N 2.84Å
245I83.5Confident83.1Confident27 Ų2770.4 Ų70.414%0.13836%0.363CS..Hα-helixtrans-55-42173.7-77.3168.9000110.6R241 C247 I248 Y249 L267R241-I245 HydrophobicContact CG-CD1 3.86Å; R241-I245 HydrophobicContact CG-CG1 4.36Å; R241-I245 VanDerWaalsContact O-CG1 3.27Å; R241-I245 WeakPolarHBondContact O-CG1 3.27Å; R241-I245 PolarHBondContact O-N 3.32Å; I245-C247 VanDerWaalsContact C-N 3.32Å; I245-C247 PolarHBondContact O-N 3.45Å; I245-I248 PolarHBondContact O-N 2.98Å; I245-Y249 HydrophobicContact CG2-CD2 3.7Å; I245-Y249 HydrophobicContact CG2-CE2 3.49Å; I245-Y249 VanDerWaalsContact CG2-CE2 3.49Å; I245-Y249 VanDerWaalsContact O-CD2 3.22Å; I245-Y249 WeakPolarHBondContact O-CD2 3.21Å; I245-Y249 PolarHBondContact O-N 3.37Å; I245-L267 HydrophobicContact CG2-CD1 4.41Å
246R83.2Confident83.8Confident185 Ų18569.4 Ų69.470%0.69836%0.359SS*.Hα-helixtrans-60-41.6176.3-174.9176.9175-175.8-6.6112.2F244 Y249 S250F244-R246 PolarHBondContact O-N 3.09Å; R246-Y249 PolarHBondContact O-N 3.12Å; R246-S250 PolarHBondContact O-N 3.02Å
247C86.3Confident84.5Confident5 Ų567.4 Ų67.43%0.03434%0.342CS..Hα-helixtrans-64.9-39.6175.8-174.30000112L212 I230 F244 I245 Y249 S250 L251L212-C247 HydrophobicContact CD2-CB 4.16Å; I230-C247 HydrophobicContact CD1-CB 4.28Å; F244-C247 WeakPolarHBondContact O-CA 3.18Å; F244-C247 WeakPolarHBondContact O-CB 3.43Å; F244-C247 PolarHBondContact O-N 3.49Å; I245-C247 VanDerWaalsContact C-N 3.32Å; I245-C247 PolarHBondContact O-N 3.45Å; C247-Y249 VanDerWaalsContact C-N 3.34Å; C247-Y249 PolarHBondContact O-N 3.46Å; C247-S250 WeakPolarHBondContact CA-OG 3.1Å; C247-S250 PolarHBondContact O-N 3.19Å; C247-S250 PolarHBondContact O-OG 3.48Å; C247-L251 WeakPolarHBondContact O-CG 3.25Å; C247-L251 PolarHBondContact O-N 3.5Å; C247-L251 VanDerWaalsContact O-N 3.11Å
248I88.4Confident85Confident0 Ų064.5 Ų64.50%034%0.339CS..Hα-helixtrans-64.3-41176.3-64.9168.2000110.6I230 F244 I245 S250 L251 L252 A263 T266 L267 L270I230-I248 HydrophobicContact CD1-CG1 4.41Å; I230-I248 HydrophobicContact CG2-CD1 3.73Å; I230-I248 HydrophobicContact CG2-CG1 4.11Å; F244-I248 WeakPolarHBondContact O-CG1 3.48Å; F244-I248 PolarHBondContact O-N 2.84Å; I245-I248 PolarHBondContact O-N 2.98Å; I248-S250 VanDerWaalsContact C-N 3.31Å; I248-S250 PolarHBondContact O-N 3.02Å; I248-L251 WeakPolarHBondContact O-CA 3.38Å; I248-L251 WeakPolarHBondContact O-CB 3.41Å; I248-L251 PolarHBondContact O-N 2.98Å; I248-L252 PolarHBondContact O-N 3.36Å; I248-A263 HydrophobicContact CG2-CB 4.27Å; I248-A263 WeakPolarHBondContact CG2-O 3.44Å; I248-T266 HydrophobicContact CD1-CG2 3.83Å; I248-L267 HydrophobicContact CG2-CB 3.79Å; I248-L267 HydrophobicContact CG2-CD1 4.15Å; I248-L267 HydrophobicContact CG2-CG 4.36Å; I248-L270 HydrophobicContact CD1-CD1 3.67Å
249Y89.6Confident85.8Confident78 Ų7860.9 Ų60.931%0.30632%0.315SS..Hα-helixtrans-58.2-40.5175.7-87.3-74.4000112.8I245 R246 C247 L251 L252 L267 A276 A279I245-Y249 HydrophobicContact CG2-CD2 3.7Å; I245-Y249 HydrophobicContact CG2-CE2 3.49Å; I245-Y249 VanDerWaalsContact CG2-CE2 3.49Å; I245-Y249 VanDerWaalsContact O-CD2 3.22Å; I245-Y249 WeakPolarHBondContact O-CD2 3.21Å; I245-Y249 PolarHBondContact O-N 3.37Å; R246-Y249 PolarHBondContact O-N 3.12Å; C247-Y249 VanDerWaalsContact C-N 3.34Å; C247-Y249 PolarHBondContact O-N 3.46Å; Y249-L251 VanDerWaalsContact C-N 3.33Å; Y249-L252 HydrophobicContact CD1-CD1 4.19Å; Y249-L252 WeakPolarHBondContact O-CB 3.08Å; Y249-L252 PolarHBondContact O-N 3.31Å; Y249-L267 HydrophobicContact CE1-CD2 4.26Å; Y249-L267 HydrophobicContact CE2-CD1 4.47Å; Y249-A276 WeakPolarHBondContact OH-CA 3.44Å; Y249-A276 WeakPolarHBondContact OH-CB 3.47Å; Y249-A276 PolarHBondContact OH-N 3.21Å; Y249-A279 HydrophobicContact CD1-CB 4.41Å; Y249-A279 HydrophobicContact CE1-CB 3.73Å
250S87.8Confident86.5Confident34 Ų3457.4 Ų57.424%0.23829%0.287CS..Hα-helixtrans-65.4-36.117343.20000112.5R246 C247 I248 L252 Q253R246-S250 PolarHBondContact O-N 3.02Å; C247-S250 WeakPolarHBondContact CA-OG 3.1Å; C247-S250 PolarHBondContact O-N 3.19Å; C247-S250 PolarHBondContact O-OG 3.48Å; I248-S250 VanDerWaalsContact C-N 3.31Å; I248-S250 PolarHBondContact O-N 3.02Å; S250-L252 VanDerWaalsContact C-N 3.3Å; S250-L252 PolarHBondContact O-N 2.89Å; S250-Q253 PolarHBondContact O-N 2.68Å; S250-Q253 VanDerWaalsContact O-N 3.13Å
251L90.7Very high87.3Confident0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-70.7-23179.1-71.1172.5000113.5V215 Q223 V227 C247 I248 Y249 Q253 S254 V259 A263V215-L251 HydrophobicContact CG1-CD1 4.27Å; V215-L251 HydrophobicContact CG1-CD2 3.87Å; V215-L251 HydrophobicContact CG1-CG 4.27Å; Q223-L251 HydrophobicContact CB-CD2 4Å; Q223-L251 HydrophobicContact CG-CD2 3.82Å; V227-L251 HydrophobicContact CG2-CD1 3.62Å; C247-L251 WeakPolarHBondContact O-CG 3.25Å; C247-L251 PolarHBondContact O-N 3.5Å; C247-L251 VanDerWaalsContact O-N 3.11Å; I248-L251 WeakPolarHBondContact O-CA 3.38Å; I248-L251 WeakPolarHBondContact O-CB 3.41Å; I248-L251 PolarHBondContact O-N 2.98Å; Y249-L251 VanDerWaalsContact C-N 3.33Å; L251-Q253 PolarHBondContact O-N 2.84Å; L251-Q253 VanDerWaalsContact O-N 3.15Å; L251-S254 VanDerWaalsContact O-CB 3.24Å; L251-S254 WeakPolarHBondContact O-CB 3.33Å; L251-S254 PolarHBondContact O-N 2.9Å; L251-V259 HydrophobicContact CB-CG1 4.3Å; L251-V259 HydrophobicContact CD2-CG1 3.99Å; L251-A263 HydrophobicContact CB-CB 3.95Å
252L90.7Very high87.8Confident18 Ų1855.9 Ų55.99%0.09428%0.281CS..THydrogen-bonded Turntrans-61.5-19170.3-63.8-176.2000113.1I248 Y249 S250 R260 A263 A264 L267 A279 C283I248-L252 PolarHBondContact O-N 3.36Å; Y249-L252 HydrophobicContact CD1-CD1 4.19Å; Y249-L252 WeakPolarHBondContact O-CB 3.08Å; Y249-L252 PolarHBondContact O-N 3.31Å; S250-L252 VanDerWaalsContact C-N 3.3Å; S250-L252 PolarHBondContact O-N 2.89Å; L252-R260 WeakPolarHBondContact O-CD 3.39Å; L252-R260 WeakPolarHBondContact O-CG 3.42Å; L252-A263 HydrophobicContact CD2-CB 4.04Å; L252-A264 HydrophobicContact CD2-CB 3.94Å; L252-L267 HydrophobicContact CD1-CD2 3.76Å; L252-A279 HydrophobicContact CD1-CB 4.05Å; L252-C283 HydrophobicContact CD2-CB 4.26Å
253Q88.6Confident88.5Confident167 Ų16748.8 Ų48.878%0.7824%0.244SC*.THydrogen-bonded Turntrans-101.19.4177.4-59.7-177.1-9.400112.7S250 L251S250-Q253 PolarHBondContact O-N 2.68Å; S250-Q253 VanDerWaalsContact O-N 3.13Å; L251-Q253 PolarHBondContact O-N 2.84Å; L251-Q253 VanDerWaalsContact O-N 3.15Å
254S89.8Confident89.2Confident13 Ų1342.7 Ų42.79%0.09122%0.221CC..  trans-59.9147.8176.9-179.80000111.8Q223 L251 S256 R260Q223-S254 PolarHBondContact OE1-OG 3.35Å; L251-S254 VanDerWaalsContact O-CB 3.24Å; L251-S254 WeakPolarHBondContact O-CB 3.33Å; L251-S254 PolarHBondContact O-N 2.9Å; S254-S256 PolarHBondContact O-N 3.02Å; S254-S256 PolarHBondContact OG-N 2.97Å; S254-R260 WeakPolarHBondContact O-CD 3.27Å; S254-R260 WeakPolarHBondContact O-CG 3.36Å; S254-R260 PolarHBondContact O-NE 3.08Å; S254-R260 VanDerWaalsContact O-NE 3.09Å
255S88.5Confident89.5Confident121 Ų12142.7 Ų42.785%0.84622%0.222SC*.SBendtrans-63.3-30.1174.158.50000112
256S90.5Very high89.7Confident21 Ų2141.6 Ų41.615%0.14722%0.216CC..  trans-80.2128.6-177.31800000112.1S254 V259 R260S254-S256 PolarHBondContact O-N 3.02Å; S254-S256 PolarHBondContact OG-N 2.97Å; S256-V259 PolarHBondContact O-N 2.93Å; S256-R260 WeakPolarHBondContact O-CG 3.22Å; S256-R260 PolarHBondContact O-N 3.39Å; S256-R260 VanDerWaalsContact O-N 3.12Å
257A89.7Confident90Very high28 Ų2832.8 Ų32.823%0.23118%0.183CC..Hα-helixtrans-64.5-39.6176.400000112.4V259 R260 Y261 L287 E291A257-V259 PolarHBondContact O-N 3.07Å; A257-R260 PolarHBondContact O-N 2.82Å; A257-Y261 WeakPolarHBondContact O-CB 3.42Å; A257-Y261 PolarHBondContact O-N 2.82Å; A257-L287 HydrophobicContact CB-CD2 3.75Å; A257-E291 WeakPolarHBondContact CB-OE1 3.45Å
258A90.4Very high90Very high49 Ų4933.5 Ų33.541%0.40519%0.187SC..Hα-helixtrans-62.8-43.5178.200000111.6L224 Y261 E262L224-A258 HydrophobicContact CD1-CB 4.46Å; L224-A258 HydrophobicContact CD2-CB 4.44Å; A258-Y261 PolarHBondContact O-N 3Å; A258-E262 PolarHBondContact O-N 2.86Å
259V91.7Very high89.8Confident0 Ų035.1 Ų35.10%020%0.197CC..Hα-helixtrans-63.5-45.4176.7177.20000110.7D220 Q223 L224 L251 S256 A257 Y261 E262 A263D220-V259 HydrophobicContact CB-CG2 4.21Å; Q223-V259 HydrophobicContact CB-CG1 3.92Å; Q223-V259 HydrophobicContact CB-CG2 3.82Å; L224-V259 HydrophobicContact CD2-CG2 3.99Å; L224-V259 HydrophobicContact CG-CG2 3.91Å; L251-V259 HydrophobicContact CB-CG1 4.3Å; L251-V259 HydrophobicContact CD2-CG1 3.99Å; S256-V259 PolarHBondContact O-N 2.93Å; A257-V259 PolarHBondContact O-N 3.07Å; V259-Y261 VanDerWaalsContact C-N 3.34Å; V259-Y261 PolarHBondContact O-N 2.82Å; V259-E262 PolarHBondContact O-N 3.28Å; V259-A263 WeakPolarHBondContact O-CB 3.34Å; V259-A263 PolarHBondContact O-N 3.24Å
260R93.3Very high89.5Confident29 Ų2931.9 Ų31.911%0.10919%0.185CC..Hα-helixtrans-60-43.3177-76.7-170.7-77.1131.71.8112.2L252 S254 S256 A257 A264 L287L252-R260 WeakPolarHBondContact O-CD 3.39Å; L252-R260 WeakPolarHBondContact O-CG 3.42Å; S254-R260 WeakPolarHBondContact O-CD 3.27Å; S254-R260 WeakPolarHBondContact O-CG 3.36Å; S254-R260 PolarHBondContact O-NE 3.08Å; S254-R260 VanDerWaalsContact O-NE 3.09Å; S256-R260 WeakPolarHBondContact O-CG 3.22Å; S256-R260 PolarHBondContact O-N 3.39Å; S256-R260 VanDerWaalsContact O-N 3.12Å; A257-R260 PolarHBondContact O-N 2.82Å; R260-A264 VanDerWaalsContact O-CB 3.28Å; R260-A264 WeakPolarHBondContact O-CB 3.02Å; R260-A264 PolarHBondContact O-N 3.5Å; R260-L287 HydrophobicContact CB-CD1 4.13Å; R260-L287 HydrophobicContact CB-CD2 4.2Å; R260-L287 HydrophobicContact CB-CG 4.45Å; R260-L287 VanDerWaalsContact CZ-CD2 3.48Å
261Y93.5Very high89.3Confident57 Ų5731 Ų3122%0.22418%0.179CC..Hα-helixtrans-61.9-53178.4177.5-98.6000111.7A257 A258 V259 A264 G265 Y284 V300A257-Y261 WeakPolarHBondContact O-CB 3.42Å; A257-Y261 PolarHBondContact O-N 2.82Å; A258-Y261 PolarHBondContact O-N 3Å; V259-Y261 VanDerWaalsContact C-N 3.34Å; V259-Y261 PolarHBondContact O-N 2.82Å; Y261-A264 PolarHBondContact O-N 3.29Å; Y261-G265 PolarHBondContact O-N 3.27Å; Y261-Y284 HydrophobicContact CD2-CD1 4.07Å; Y261-Y284 AromaticContact CD2-CE1 3.59Å; Y261-Y284 HydrophobicContact CD2-CE1 3.59Å; Y261-Y284 HydrophobicContact CE2-CD1 4.43Å; Y261-Y284 AromaticContact CE2-CE1 3.83Å; Y261-Y284 HydrophobicContact CE2-CE1 3.83Å; Y261-Y284 HydrophobicContact CG-CE1 4.4Å; Y261-V300 HydrophobicContact CD2-CG2 3.78Å; Y261-V300 HydrophobicContact CE2-CG2 3.82Å
262E90.2Very high88.8Confident62 Ų6236 Ų3629%0.2921%0.214SC..Hα-helixtrans-66.7-42.8-180-71.2-58.4153.200111.8L224 V227 A258 V259 A264 G265 T266L224-E262 HydrophobicContact CD2-CB 4.21Å; L224-E262 HydrophobicContact CD2-CG 4.06Å; V227-E262 HydrophobicContact CG1-CB 4.22Å; A258-E262 PolarHBondContact O-N 2.86Å; V259-E262 PolarHBondContact O-N 3.28Å; E262-A264 VanDerWaalsContact C-N 3.33Å; E262-A264 PolarHBondContact O-N 3.09Å; E262-G265 CarbonylContact O-C 3.59Å; E262-G265 WeakPolarHBondContact O-CA 3.17Å; E262-G265 PolarHBondContact O-N 3.42Å; E262-G265 VanDerWaalsContact O-N 3.09Å; E262-T266 PolarHBondContact O-N 2.96Å; E262-T266 PolarHBondContact O-OG1 3.44Å; E262-T266 VanDerWaalsContact O-OG1 3.1Å
263A91.8Very high88.6Confident0 Ų037 Ų370%022%0.224CC..Hα-helixtrans-60.4-40.7177.300000112.3V227 I248 L251 L252 V259 T266 L267V227-A263 HydrophobicContact CG2-CB 4.34Å; I248-A263 HydrophobicContact CG2-CB 4.27Å; I248-A263 WeakPolarHBondContact CG2-O 3.44Å; L251-A263 HydrophobicContact CB-CB 3.95Å; L252-A263 HydrophobicContact CD2-CB 4.04Å; V259-A263 WeakPolarHBondContact O-CB 3.34Å; V259-A263 PolarHBondContact O-N 3.24Å; A263-T266 PolarHBondContact O-N 3.26Å; A263-L267 WeakPolarHBondContact O-CB 3.33Å; A263-L267 PolarHBondContact O-N 3.34Å
264A91.8Very high88.5Confident0 Ų033.1 Ų33.10%021%0.214CC..Hα-helixtrans-63.7-42.9173.700000111.2L252 R260 Y261 E262 L267 T268 A280 C283 Y284L252-A264 HydrophobicContact CD2-CB 3.94Å; R260-A264 VanDerWaalsContact O-CB 3.28Å; R260-A264 WeakPolarHBondContact O-CB 3.02Å; R260-A264 PolarHBondContact O-N 3.5Å; Y261-A264 PolarHBondContact O-N 3.29Å; E262-A264 VanDerWaalsContact C-N 3.33Å; E262-A264 PolarHBondContact O-N 3.09Å; A264-L267 PolarHBondContact O-N 3.31Å; A264-T268 WeakPolarHBondContact O-CG2 3.38Å; A264-T268 PolarHBondContact O-N 3.31Å; A264-T268 PolarHBondContact O-OG1 3.16Å; A264-A280 HydrophobicContact CB-CB 4.1Å; A264-C283 HydrophobicContact CB-CB 4.23Å; A264-Y284 HydrophobicContact CB-CD1 4.22Å; A264-Y284 HydrophobicContact CB-CD2 4.48Å; A264-Y284 HydrophobicContact CB-CE1 3.78Å; A264-Y284 HydrophobicContact CB-CE2 4.05Å
265G90.1Very high88.5Confident2 Ų236.3 Ų36.32%0.02124%0.236CC..Hα-helixtrans-60.3-46.3175.100000112.9Y261 E262 T268 T269 Y284 R747Y261-G265 PolarHBondContact O-N 3.27Å; E262-G265 CarbonylContact O-C 3.59Å; E262-G265 WeakPolarHBondContact O-CA 3.17Å; E262-G265 PolarHBondContact O-N 3.42Å; E262-G265 VanDerWaalsContact O-N 3.09Å; G265-T268 PolarHBondContact O-OG1 3.12Å; G265-T269 PolarHBondContact O-N 3Å; G265-T269 PolarHBondContact O-OG1 3.49Å; G265-Y284 WeakPolarHBondContact CA-OH 3.48Å; G265-Y284 PolarHBondContact N-OH 3.47Å; G265-R747 PolarHBondContact O-NH2 3Å
266T88Confident88.5Confident4 Ų430.6 Ų30.63%0.02520%0.196CC..Hα-helixtrans-63.7-43.8175.2-57.40000111.2V227 Y231 I248 E262 A263 T268 T269 L270V227-T266 HydrophobicContact CG1-CG2 4.4Å; V227-T266 WeakPolarHBondContact CG1-OG1 3.44Å; Y231-T266 HydrophobicContact CD2-CG2 4.14Å; I248-T266 HydrophobicContact CD1-CG2 3.83Å; E262-T266 PolarHBondContact O-N 2.96Å; E262-T266 PolarHBondContact O-OG1 3.44Å; E262-T266 VanDerWaalsContact O-OG1 3.1Å; A263-T266 PolarHBondContact O-N 3.26Å; T266-T268 PolarHBondContact O-N 2.73Å; T266-T269 PolarHBondContact O-N 3.41Å; T266-L270 HydrophobicContact CG2-CD1 3.6Å; T266-L270 HydrophobicContact CG2-CG 4.04Å; T266-L270 WeakPolarHBondContact O-CG 3.39Å; T266-L270 PolarHBondContact O-N 3.37Å
267L89.1Confident88.5Confident0 Ų029.6 Ų29.60%019%0.189CC..Hα-helixtrans-59.3-44.9179.4-171.957.1000112.5I245 I248 Y249 L252 A263 A264 T269 L270 S271 A276 A280I245-L267 HydrophobicContact CG2-CD1 4.41Å; I248-L267 HydrophobicContact CG2-CB 3.79Å; I248-L267 HydrophobicContact CG2-CD1 4.15Å; I248-L267 HydrophobicContact CG2-CG 4.36Å; Y249-L267 HydrophobicContact CE1-CD2 4.26Å; Y249-L267 HydrophobicContact CE2-CD1 4.47Å; L252-L267 HydrophobicContact CD1-CD2 3.76Å; A263-L267 WeakPolarHBondContact O-CB 3.33Å; A263-L267 PolarHBondContact O-N 3.34Å; A264-L267 PolarHBondContact O-N 3.31Å; L267-T269 PolarHBondContact O-N 3.12Å; L267-L270 PolarHBondContact O-N 3.12Å; L267-S271 PolarHBondContact O-N 3.3Å; L267-A276 HydrophobicContact CD1-CB 3.98Å; L267-A276 HydrophobicContact CD2-CB 4.18Å; L267-A276 WeakPolarHBondContact CD2-O 3.47Å; L267-A276 HydrophobicContact CG-CB 3.99Å; L267-A280 HydrophobicContact CB-CB 4.45Å; L267-A280 HydrophobicContact CD2-CB 4.32Å
268T85.9Confident88.6Confident21 Ų2132.1 Ų32.113%0.12920%0.195CC..Hα-helixtrans-62.7-24.117755.70000113.7A264 G265 T266 I277 A280 L307A264-T268 WeakPolarHBondContact O-CG2 3.38Å; A264-T268 PolarHBondContact O-N 3.31Å; A264-T268 PolarHBondContact O-OG1 3.16Å; G265-T268 PolarHBondContact O-OG1 3.12Å; T266-T268 PolarHBondContact O-N 2.73Å; T268-I277 HydrophobicContact CG2-CD1 4.03Å; T268-A280 HydrophobicContact CG2-CB 3.51Å; T268-L307 HydrophobicContact CG2-CD1 4.06Å; T268-L307 HydrophobicContact CG2-CD2 4.45Å
269T83.4Confident88.7Confident34 Ų3431.1 Ų31.121%0.20919%0.187CC..Hα-helixtrans-88.4-39.2-179.7-40.50000111.4Y231 G265 T266 L267 R747Y231-T269 HydrophobicContact CE2-CG2 3.81Å; G265-T269 PolarHBondContact O-N 3Å; G265-T269 PolarHBondContact O-OG1 3.49Å; T266-T269 PolarHBondContact O-N 3.41Å; L267-T269 PolarHBondContact O-N 3.12Å; T269-R747 VanDerWaalsContact OG1-CZ 3.27Å; T269-R747 PolarHBondContact OG1-NH1 3.09Å
270L83.5Confident88.7Confident10 Ų1031.1 Ų31.15%0.05219%0.187CC..Hα-helixtrans-82.3-21.9-175.7-63.3-176.4000113.4I230 Y231 C234 R241 I248 T266 L267I230-L270 HydrophobicContact CG2-CD1 4.09Å; Y231-L270 HydrophobicContact CD2-CD2 4.2Å; C234-L270 HydrophobicContact CB-CD1 3.88Å; C234-L270 HydrophobicContact CB-CD2 3.53Å; C234-L270 HydrophobicContact CB-CG 4.33Å; R241-L270 WeakPolarHBondContact CD-O 3.36Å; I248-L270 HydrophobicContact CD1-CD1 3.67Å; T266-L270 HydrophobicContact CG2-CD1 3.6Å; T266-L270 HydrophobicContact CG2-CG 4.04Å; T266-L270 WeakPolarHBondContact O-CG 3.39Å; T266-L270 PolarHBondContact O-N 3.37Å; L267-L270 PolarHBondContact O-N 3.12Å
271S83.5Confident88.8Confident15 Ų1529.8 Ų29.811%0.10518%0.182CC..  trans-136121-173.7172.50000112.1L267 A273 A276 I277L267-S271 PolarHBondContact O-N 3.3Å; S271-A273 VanDerWaalsContact C-N 3.29Å; S271-A273 WeakPolarHBondContact OG-CB 3.37Å; S271-A273 PolarHBondContact OG-N 3.47Å; S271-A276 VanDerWaalsContact OG-CB 3.25Å; S271-A276 WeakPolarHBondContact OG-CB 3.3Å; S271-I277 VanDerWaalsContact O-CD1 3.24Å; S271-I277 WeakPolarHBondContact O-CD1 3.35Å
272S81.1Confident88.9Confident105 Ų10528.6 Ų28.673%0.73418%0.182SC*.  trans-84.6-0.6168.157.50000113.5
273A85.5Confident89.1Confident38 Ų3826.1 Ų26.131%0.31417%0.171SC..  trans-62129.7179.700000110.9S271 S275 A276 I277S271-A273 VanDerWaalsContact C-N 3.29Å; S271-A273 WeakPolarHBondContact OG-CB 3.37Å; S271-A273 PolarHBondContact OG-N 3.47Å; A273-S275 VanDerWaalsContact C-N 3.26Å; A273-S275 PolarHBondContact O-N 3.1Å; A273-S275 VanDerWaalsContact O-N 3.16Å; A273-A276 HydrophobicContact CB-CB 4.32Å; A273-A276 WeakPolarHBondContact O-CB 3.28Å; A273-A276 PolarHBondContact O-N 3.26Å; A273-I277 PolarHBondContact O-N 2.81Å; A273-I277 VanDerWaalsContact O-N 3.15Å
274P87.3Confident89.2Confident86 Ų8626.2 Ų26.256%0.55817%0.172SC*.Hα-helixtrans-57.8-34.9-175.5-28.735000114.6A276 K278 I314P274-A276 VanDerWaalsContact C-N 3.35Å; P274-K278 VanDerWaalsContact O-CB 3.27Å; P274-K278 WeakPolarHBondContact O-CB 3.42Å; P274-K278 PolarHBondContact O-N 3.09Å; P274-I314 HydrophobicContact CB-CD1 3.82Å; P274-I314 HydrophobicContact CB-CG1 4.38Å; P274-I314 HydrophobicContact CG-CD1 4.46Å
275S89.8Confident89.4Confident80 Ų8026.4 Ų26.456%0.55917%0.172SC*.Hα-helixtrans-63.9-38.3176.151.10000112.7A273 A279A273-S275 VanDerWaalsContact C-N 3.26Å; A273-S275 PolarHBondContact O-N 3.1Å; A273-S275 VanDerWaalsContact O-N 3.16Å; S275-A279 WeakPolarHBondContact O-CB 3.29Å; S275-A279 PolarHBondContact O-N 3.18Å
276A88.3Confident89.6Confident1 Ų130 Ų301%0.00819%0.191CC..Hα-helixtrans-70.1-45.3178.200000111.7Y249 L267 S271 A273 P274 K278 A279 A280Y249-A276 WeakPolarHBondContact OH-CA 3.44Å; Y249-A276 WeakPolarHBondContact OH-CB 3.47Å; Y249-A276 PolarHBondContact OH-N 3.21Å; L267-A276 HydrophobicContact CD1-CB 3.98Å; L267-A276 HydrophobicContact CD2-CB 4.18Å; L267-A276 WeakPolarHBondContact CD2-O 3.47Å; L267-A276 HydrophobicContact CG-CB 3.99Å; S271-A276 VanDerWaalsContact OG-CB 3.25Å; S271-A276 WeakPolarHBondContact OG-CB 3.3Å; A273-A276 HydrophobicContact CB-CB 4.32Å; A273-A276 WeakPolarHBondContact O-CB 3.28Å; A273-A276 PolarHBondContact O-N 3.26Å; P274-A276 VanDerWaalsContact C-N 3.35Å; A276-K278 VanDerWaalsContact C-N 3.33Å; A276-K278 PolarHBondContact O-N 2.93Å; A276-A279 PolarHBondContact O-N 3.35Å; A276-A280 WeakPolarHBondContact O-CB 3.42Å; A276-A280 PolarHBondContact O-N 3.18Å
277I89.8Confident89.8Confident0 Ų030 Ų300%019%0.191CC..Hα-helixtrans-61.8-43.1175.5-58.3-55.9000110.6T268 S271 A273 A279 A280 A281 L307 H311 I314T268-I277 HydrophobicContact CG2-CD1 4.03Å; S271-I277 VanDerWaalsContact O-CD1 3.24Å; S271-I277 WeakPolarHBondContact O-CD1 3.35Å; A273-I277 PolarHBondContact O-N 2.81Å; A273-I277 VanDerWaalsContact O-N 3.15Å; I277-A279 PolarHBondContact O-N 3.17Å; I277-A280 PolarHBondContact O-N 2.98Å; I277-A281 WeakPolarHBondContact O-CB 3.44Å; I277-A281 PolarHBondContact O-N 2.82Å; I277-L307 HydrophobicContact CG2-CD1 4.33Å; I277-L307 HydrophobicContact CG2-CD2 4.13Å; I277-L307 HydrophobicContact CG2-CG 4.46Å; I277-H311 HydrophobicContact CG2-CB 4.01Å; I277-I314 HydrophobicContact CB-CD1 3.9Å; I277-I314 HydrophobicContact CG1-CD1 4.41Å; I277-I314 HydrophobicContact CG2-CD1 3.94Å; I277-I314 HydrophobicContact CG2-CG2 4.2Å
278K93Very high90Very high82 Ų8230 Ų3036%0.35719%0.191SC..Hα-helixtrans-61-43.3176.6-171.5171.2-175.8163.90111.8P274 A276 S282 I314 L318P274-K278 VanDerWaalsContact O-CB 3.27Å; P274-K278 WeakPolarHBondContact O-CB 3.42Å; P274-K278 PolarHBondContact O-N 3.09Å; A276-K278 VanDerWaalsContact C-N 3.33Å; A276-K278 PolarHBondContact O-N 2.93Å; K278-S282 VanDerWaalsContact O-CB 3.3Å; K278-S282 WeakPolarHBondContact O-CB 2.75Å; K278-S282 PolarHBondContact O-N 3.41Å; K278-S282 PolarHBondContact O-OG 2.84Å; K278-I314 HydrophobicContact CB-CG2 3.79Å; K278-I314 HydrophobicContact CG-CG2 4.36Å; K278-L318 HydrophobicContact CG-CD1 4.19Å; K278-L318 HydrophobicContact CG-CD2 4.13Å; K278-L318 HydrophobicContact CG-CG 4.33Å
279A92.1Very high90.3Very high28 Ų2832.2 Ų32.223%0.23120%0.202CC..Hα-helixtrans-64.4-43176.700000112.1Y249 L252 S275 A276 I277 S282 C283Y249-A279 HydrophobicContact CD1-CB 4.41Å; Y249-A279 HydrophobicContact CE1-CB 3.73Å; L252-A279 HydrophobicContact CD1-CB 4.05Å; S275-A279 WeakPolarHBondContact O-CB 3.29Å; S275-A279 PolarHBondContact O-N 3.18Å; A276-A279 PolarHBondContact O-N 3.35Å; I277-A279 PolarHBondContact O-N 3.17Å; A279-S282 PolarHBondContact O-N 3.41Å; A279-C283 WeakPolarHBondContact O-CB 3.4Å; A279-C283 PolarHBondContact O-N 2.99Å
280A92.8Very high90.7Very high0 Ų037.9 Ų37.90%022%0.223CC..Hα-helixtrans-64.3-46.5176.400000112.2A264 L267 T268 A276 I277 S282 C283 Y284A264-A280 HydrophobicContact CB-CB 4.1Å; L267-A280 HydrophobicContact CB-CB 4.45Å; L267-A280 HydrophobicContact CD2-CB 4.32Å; T268-A280 HydrophobicContact CG2-CB 3.51Å; A276-A280 WeakPolarHBondContact O-CB 3.42Å; A276-A280 PolarHBondContact O-N 3.18Å; I277-A280 PolarHBondContact O-N 2.98Å; A280-S282 VanDerWaalsContact C-N 3.35Å; A280-S282 PolarHBondContact O-N 3.47Å; A280-C283 VanDerWaalsContact O-CB 3.3Å; A280-C283 WeakPolarHBondContact O-CB 3.15Å; A280-C283 PolarHBondContact O-N 3.22Å; A280-C283 VanDerWaalsContact O-N 3.13Å; A280-Y284 WeakPolarHBondContact O-CD2 3.21Å; A280-Y284 PolarHBondContact O-N 2.81Å
281A94.2Very high91Very high0 Ų039.8 Ų39.80%023%0.232CC..Hα-helixtrans-61.3-42.9175.900000111.8I277 C283 Y284 I285 L304 L307 L315 L318I277-A281 WeakPolarHBondContact O-CB 3.44Å; I277-A281 PolarHBondContact O-N 2.82Å; A281-C283 VanDerWaalsContact C-N 3.28Å; A281-C283 PolarHBondContact O-N 2.84Å; A281-Y284 PolarHBondContact O-N 2.57Å; A281-I285 WeakPolarHBondContact O-CG1 3.29Å; A281-I285 PolarHBondContact O-N 2.81Å; A281-L304 HydrophobicContact CB-CD1 4.12Å; A281-L307 HydrophobicContact CB-CD2 4.01Å; A281-L315 HydrophobicContact CB-CD2 3.71Å; A281-L318 HydrophobicContact CB-CD1 3.52Å
282S95.3Very high91.3Very high32 Ų3244.3 Ų44.322%0.22426%0.264CS..Hα-helixtrans-61.5-37.2174.2-570000111.7K278 A279 A280 I285 N286K278-S282 VanDerWaalsContact O-CB 3.3Å; K278-S282 WeakPolarHBondContact O-CB 2.75Å; K278-S282 PolarHBondContact O-N 3.41Å; K278-S282 PolarHBondContact O-OG 2.84Å; A279-S282 PolarHBondContact O-N 3.41Å; A280-S282 VanDerWaalsContact C-N 3.35Å; A280-S282 PolarHBondContact O-N 3.47Å; S282-I285 PolarHBondContact O-N 2.86Å; S282-N286 WeakPolarHBondContact O-CB 3.35Å; S282-N286 PolarHBondContact O-N 3.16Å; S282-N286 PolarHBondContact O-ND2 3.35Å
283C94.3Very high91.7Very high10 Ų1042.7 Ų42.77%0.06825%0.247CC..Hα-helixtrans-63.5-45.4175.1-168.40000111.4L252 A264 A279 A280 A281 N286 L287L252-C283 HydrophobicContact CD2-CB 4.26Å; A264-C283 HydrophobicContact CB-CB 4.23Å; A279-C283 WeakPolarHBondContact O-CB 3.4Å; A279-C283 PolarHBondContact O-N 2.99Å; A280-C283 VanDerWaalsContact O-CB 3.3Å; A280-C283 WeakPolarHBondContact O-CB 3.15Å; A280-C283 PolarHBondContact O-N 3.22Å; A280-C283 VanDerWaalsContact O-N 3.13Å; A281-C283 VanDerWaalsContact C-N 3.28Å; A281-C283 PolarHBondContact O-N 2.84Å; C283-N286 PolarHBondContact O-N 3.19Å; C283-L287 WeakPolarHBondContact O-CG 3.39Å; C283-L287 PolarHBondContact O-N 2.79Å
284Y95.4Very high91.9Very high3 Ų343 Ų431%0.01224%0.243CC..Hα-helixtrans-61-44.4175.2-71.5-46.2000113Y261 A264 G265 A280 A281 N286 L287 I288 V300 R303Y261-Y284 HydrophobicContact CD2-CD1 4.07Å; Y261-Y284 AromaticContact CD2-CE1 3.59Å; Y261-Y284 HydrophobicContact CD2-CE1 3.59Å; Y261-Y284 HydrophobicContact CE2-CD1 4.43Å; Y261-Y284 AromaticContact CE2-CE1 3.83Å; Y261-Y284 HydrophobicContact CE2-CE1 3.83Å; Y261-Y284 HydrophobicContact CG-CE1 4.4Å; A264-Y284 HydrophobicContact CB-CD1 4.22Å; A264-Y284 HydrophobicContact CB-CD2 4.48Å; A264-Y284 HydrophobicContact CB-CE1 3.78Å; A264-Y284 HydrophobicContact CB-CE2 4.05Å; G265-Y284 WeakPolarHBondContact CA-OH 3.48Å; G265-Y284 PolarHBondContact N-OH 3.47Å; A280-Y284 WeakPolarHBondContact O-CD2 3.21Å; A280-Y284 PolarHBondContact O-N 2.81Å; A281-Y284 PolarHBondContact O-N 2.57Å; Y284-N286 VanDerWaalsContact C-N 3.33Å; Y284-N286 PolarHBondContact O-N 3.19Å; Y284-L287 HydrophobicContact CD1-CD1 4.3Å; Y284-L287 WeakPolarHBondContact O-CB 3.36Å; Y284-L287 PolarHBondContact O-N 2.94Å; Y284-L287 VanDerWaalsContact O-N 3.17Å; Y284-I288 WeakPolarHBondContact O-CG1 3.22Å; Y284-I288 PolarHBondContact O-N 2.86Å; Y284-V300 HydrophobicContact CD1-CG1 3.62Å; Y284-V300 HydrophobicContact CG-CG1 3.96Å; Y284-R303 HydrophobicContact CE1-CG 4.34Å; Y284-R303 HydrophobicContact CE2-CG 4.1Å
285I94.6Very high92.1Very high3 Ų344 Ų442%0.01524%0.244CC..Hα-helixtrans-60.1-46.3176.8-64.8161.5000110.2A281 S282 L287 I288 L289 L304 L318 D321 I322 I325A281-I285 WeakPolarHBondContact O-CG1 3.29Å; A281-I285 PolarHBondContact O-N 2.81Å; S282-I285 PolarHBondContact O-N 2.86Å; I285-L287 VanDerWaalsContact C-N 3.29Å; I285-L287 PolarHBondContact O-N 2.88Å; I285-I288 PolarHBondContact O-N 2.99Å; I285-L289 HydrophobicContact CG2-CD1 3.99Å; I285-L289 HydrophobicContact CG2-CG 4.44Å; I285-L289 WeakPolarHBondContact O-CG 3.47Å; I285-L289 PolarHBondContact O-N 2.67Å; I285-L304 HydrophobicContact CG1-CD2 3.96Å; I285-L318 HydrophobicContact CD1-CB 3.93Å; I285-L318 HydrophobicContact CD1-CD1 4.11Å; I285-D321 HydrophobicContact CD1-CB 4.27Å; I285-D321 HydrophobicContact CG2-CB 3.95Å; I285-I322 HydrophobicContact CD1-CD1 4.32Å; I285-I322 HydrophobicContact CD1-CG1 3.57Å; I285-I322 HydrophobicContact CG1-CG1 3.98Å; I285-I325 HydrophobicContact CG2-CD1 4.35Å
286N93.9Very high92Very high77 Ų7742.7 Ų42.741%0.41223%0.233SC..Hα-helixtrans-62.8-32.8176.8-80.9-63.6000113.4S282 C283 Y284 K290S282-N286 WeakPolarHBondContact O-CB 3.35Å; S282-N286 PolarHBondContact O-N 3.16Å; S282-N286 PolarHBondContact O-ND2 3.35Å; C283-N286 PolarHBondContact O-N 3.19Å; Y284-N286 VanDerWaalsContact C-N 3.33Å; Y284-N286 PolarHBondContact O-N 3.19Å; N286-K290 WeakPolarHBondContact O-CB 3.29Å; N286-K290 WeakPolarHBondContact O-CG 3.18Å; N286-K290 PolarHBondContact O-N 2.93Å
287L93Very high92.2Very high4 Ų443.7 Ų43.72%0.02124%0.237CC..Hα-helixtrans-64.7-50.4172.4-77.4164.8000110.5A257 R260 C283 Y284 I285 L289 K290 E291A257-L287 HydrophobicContact CB-CD2 3.75Å; R260-L287 HydrophobicContact CB-CD1 4.13Å; R260-L287 HydrophobicContact CB-CD2 4.2Å; R260-L287 HydrophobicContact CB-CG 4.45Å; R260-L287 VanDerWaalsContact CZ-CD2 3.48Å; C283-L287 WeakPolarHBondContact O-CG 3.39Å; C283-L287 PolarHBondContact O-N 2.79Å; Y284-L287 HydrophobicContact CD1-CD1 4.3Å; Y284-L287 WeakPolarHBondContact O-CB 3.36Å; Y284-L287 PolarHBondContact O-N 2.94Å; Y284-L287 VanDerWaalsContact O-N 3.17Å; I285-L287 VanDerWaalsContact C-N 3.29Å; I285-L287 PolarHBondContact O-N 2.88Å; L287-L289 VanDerWaalsContact C-N 3.26Å; L287-L289 PolarHBondContact O-N 3.41Å; L287-K290 PolarHBondContact O-N 3.28Å; L287-E291 WeakPolarHBondContact O-CB 3.4Å; L287-E291 VanDerWaalsContact O-CG 3.29Å; L287-E291 WeakPolarHBondContact O-CG 3.5Å; L287-E291 PolarHBondContact O-N 3.26Å
288I93.5Very high92.2Very high2 Ų244.9 Ų44.91%0.0124%0.243CC..Hα-helixtrans-57.9-40.4179.7-63.8165.8000111.6Y284 I285 K297 V300 L301 I325Y284-I288 WeakPolarHBondContact O-CG1 3.22Å; Y284-I288 PolarHBondContact O-N 2.86Å; I285-I288 PolarHBondContact O-N 2.99Å; I288-K297 HydrophobicContact CG2-CB 4.14Å; I288-K297 HydrophobicContact CG2-CD 4.3Å; I288-K297 HydrophobicContact CG2-CG 4Å; I288-K297 WeakPolarHBondContact O-CE 3.1Å; I288-V300 HydrophobicContact CD1-CB 4.15Å; I288-V300 HydrophobicContact CD1-CG1 3.82Å; I288-V300 HydrophobicContact CG1-CB 3.73Å; I288-V300 HydrophobicContact CG1-CG1 3.58Å; I288-L301 HydrophobicContact CD1-CB 4.13Å; I288-L301 HydrophobicContact CD1-CD1 4.42Å; I288-I325 HydrophobicContact CB-CD1 4.24Å; I288-I325 HydrophobicContact CB-CG1 4.4Å; I288-I325 HydrophobicContact CD1-CD1 3.87Å; I288-I325 HydrophobicContact CG2-CB 4.29Å; I288-I325 HydrophobicContact CG2-CD1 3.95Å; I288-I325 HydrophobicContact CG2-CG1 3.86Å; I288-I325 HydrophobicContact CG2-CG2 3.48Å; I288-I325 VanDerWaalsContact CG2-CG2 3.48Å
289L92.4Very high92.1Very high67 Ų6745.7 Ų45.735%0.35125%0.25SS..Hα-helixtrans-71-33.1-179-67.8174.1000113.4I285 L287 Q324 I325I285-L289 HydrophobicContact CG2-CD1 3.99Å; I285-L289 HydrophobicContact CG2-CG 4.44Å; I285-L289 WeakPolarHBondContact O-CG 3.47Å; I285-L289 PolarHBondContact O-N 2.67Å; L287-L289 VanDerWaalsContact C-N 3.26Å; L287-L289 PolarHBondContact O-N 3.41Å; L289-Q324 HydrophobicContact CD1-CB 4.45Å; L289-Q324 HydrophobicContact CD2-CB 4.03Å; L289-I325 HydrophobicContact CD2-CB 4.48Å; L289-I325 HydrophobicContact CD2-CG1 3.89Å; L289-I325 HydrophobicContact CG-CG1 4.31Å
290K90.9Very high92.1Very high152 Ų15244.5 Ų44.566%0.66124%0.24SC*.Hα-helixtrans-92-32.2-175.5-71.5-178.3179.8-1780113.9N286 L287N286-K290 WeakPolarHBondContact O-CB 3.29Å; N286-K290 WeakPolarHBondContact O-CG 3.18Å; N286-K290 PolarHBondContact O-N 2.93Å; L287-K290 PolarHBondContact O-N 3.28Å
291E90.1Very high92.1Very high50 Ų5044.5 Ų44.523%0.23424%0.24CC..  trans-68.1145.6-178.6-70.6-54.6139.500111.3A257 L287 V296 K297A257-E291 WeakPolarHBondContact CB-OE1 3.45Å; L287-E291 WeakPolarHBondContact O-CB 3.4Å; L287-E291 VanDerWaalsContact O-CG 3.29Å; L287-E291 WeakPolarHBondContact O-CG 3.5Å; L287-E291 PolarHBondContact O-N 3.26Å; E291-V296 HydrophobicContact CB-CG1 4.47Å; E291-V296 HydrophobicContact CG-CG1 4.11Å; E291-K297 WeakPolarHBondContact O-CE 3.5Å; E291-K297 PolarHBondContact O-NZ 3.04Å
292S89.8Confident91.9Very high110 Ų11047.2 Ų47.277%0.76926%0.259SS*.  trans-91.8-27.4176.955.50000112.9
293D90.4Very high91.7Very high71 Ų7149 Ų4938%0.3826%0.261SS..  trans-78.5123.4-176.7-171.2-18.8000111.5N295 V296 K297D293-N295 VanDerWaalsContact C-N 3.33Å; D293-N295 PolarHBondContact O-N 2.93Å; D293-N295 WeakPolarHBondContact OD1-CB 3.43Å; D293-N295 PolarHBondContact OD1-N 3.29Å; D293-N295 PolarHBondContact OD1-ND2 2.99Å; D293-V296 HydrophobicContact CB-CB 4.25Å; D293-V296 HydrophobicContact CB-CG2 3.89Å; D293-V296 PolarHBondContact O-N 2.89Å; D293-K297 WeakPolarHBondContact O-CG 3.43Å; D293-K297 PolarHBondContact O-N 2.7Å
294N89.2Confident91.5Very high45 Ų4548.5 Ų48.524%0.24126%0.258CS..Hα-helixtrans-67.2-32.3179.4-61.9-33.9000112.5V296 K297 L298 D330N294-V296 VanDerWaalsContact C-N 3.34Å; N294-V296 PolarHBondContact O-N 3Å; N294-K297 WeakPolarHBondContact O-CB 3.33Å; N294-K297 PolarHBondContact O-N 3.44Å; N294-L298 VanDerWaalsContact O-CG 3.32Å; N294-L298 WeakPolarHBondContact O-CG 3.39Å; N294-L298 PolarHBondContact O-N 2.85Å; N294-D330 HydrophobicContact CB-CB 4.18Å
295N90.5Very high91.2Very high106 Ų10650.3 Ų50.357%0.56727%0.269SS*.Hα-helixtrans-64.7-42.7178-62-57.2000110.9D293 K297 L298 I299D293-N295 VanDerWaalsContact C-N 3.33Å; D293-N295 PolarHBondContact O-N 2.93Å; D293-N295 WeakPolarHBondContact OD1-CB 3.43Å; D293-N295 PolarHBondContact OD1-N 3.29Å; D293-N295 PolarHBondContact OD1-ND2 2.99Å; N295-K297 VanDerWaalsContact C-N 3.32Å; N295-K297 PolarHBondContact O-N 2.89Å; N295-L298 PolarHBondContact O-N 2.93Å; N295-I299 VanDerWaalsContact O-CG1 3.29Å; N295-I299 WeakPolarHBondContact O-CG1 3.33Å; N295-I299 PolarHBondContact O-N 3.46Å
296V88.6Confident90.8Very high54 Ų5453.3 Ų53.333%0.32729%0.285SS..Hα-helixtrans-61.9-44175.1179.70000109.9E291 D293 N294 L298 I299 V300E291-V296 HydrophobicContact CB-CG1 4.47Å; E291-V296 HydrophobicContact CG-CG1 4.11Å; D293-V296 HydrophobicContact CB-CB 4.25Å; D293-V296 HydrophobicContact CB-CG2 3.89Å; D293-V296 PolarHBondContact O-N 2.89Å; N294-V296 VanDerWaalsContact C-N 3.34Å; N294-V296 PolarHBondContact O-N 3Å; V296-L298 VanDerWaalsContact C-N 3.34Å; V296-L298 PolarHBondContact O-N 3.31Å; V296-I299 PolarHBondContact O-N 3.47Å; V296-V300 HydrophobicContact CG1-CG2 4.26Å; V296-V300 VanDerWaalsContact O-CG2 3.24Å; V296-V300 WeakPolarHBondContact O-CG2 3.42Å; V296-V300 PolarHBondContact O-N 3.18Å
297K92.2Very high90.5Very high22 Ų2250.6 Ų50.610%0.09627%0.27CS..Hα-helixtrans-58.4-45.1175.4-66.8-179.4-171.1-173.50112.2I288 E291 D293 N294 N295 V300 L301 V333I288-K297 HydrophobicContact CG2-CB 4.14Å; I288-K297 HydrophobicContact CG2-CD 4.3Å; I288-K297 HydrophobicContact CG2-CG 4Å; I288-K297 WeakPolarHBondContact O-CE 3.1Å; E291-K297 WeakPolarHBondContact O-CE 3.5Å; E291-K297 PolarHBondContact O-NZ 3.04Å; D293-K297 WeakPolarHBondContact O-CG 3.43Å; D293-K297 PolarHBondContact O-N 2.7Å; N294-K297 WeakPolarHBondContact O-CB 3.33Å; N294-K297 PolarHBondContact O-N 3.44Å; N295-K297 VanDerWaalsContact C-N 3.32Å; N295-K297 PolarHBondContact O-N 2.89Å; K297-V300 PolarHBondContact O-N 3.47Å; K297-L301 WeakPolarHBondContact O-CB 3.5Å; K297-L301 PolarHBondContact O-N 2.93Å; K297-V333 HydrophobicContact CB-CG2 4.08Å
298L90.2Very high90.2Very high24 Ų2451.6 Ų51.613%0.12627%0.274CS..Hα-helixtrans-63.9-41.7179.6-70.9171.5000111.9N294 N295 V296 L301 S302 E332 V333 K336N294-L298 VanDerWaalsContact O-CG 3.32Å; N294-L298 WeakPolarHBondContact O-CG 3.39Å; N294-L298 PolarHBondContact O-N 2.85Å; N295-L298 PolarHBondContact O-N 2.93Å; V296-L298 VanDerWaalsContact C-N 3.34Å; V296-L298 PolarHBondContact O-N 3.31Å; L298-L301 PolarHBondContact O-N 3.25Å; L298-S302 WeakPolarHBondContact O-CB 3.37Å; L298-S302 PolarHBondContact O-N 3.28Å; L298-E332 HydrophobicContact CD2-CB 4.24Å; L298-E332 HydrophobicContact CD2-CG 4.01Å; L298-V333 HydrophobicContact CD2-CG2 3.68Å; L298-V333 HydrophobicContact CG-CG2 3.87Å; L298-K336 HydrophobicContact CD2-CD 3.93Å
299I90.3Very high89.6Confident99 Ų9955.1 Ų55.151%0.50829%0.29SS..Hα-helixtrans-62.6-49.7176.3-67.6164.6000110.4N295 V296 L301 S302 R303N295-I299 VanDerWaalsContact O-CG1 3.29Å; N295-I299 WeakPolarHBondContact O-CG1 3.33Å; N295-I299 PolarHBondContact O-N 3.46Å; V296-I299 PolarHBondContact O-N 3.47Å; I299-L301 VanDerWaalsContact C-N 3.34Å; I299-L301 PolarHBondContact O-N 3.06Å; I299-S302 WeakPolarHBondContact O-CB 3.25Å; I299-S302 PolarHBondContact O-N 3.39Å; I299-R303 PolarHBondContact O-N 3.07Å
300V93.2Very high89Confident3 Ų358.5 Ų58.52%0.01830%0.299CS..Hα-helixtrans-66.9-36.4-179.4-176.50000111.3Y261 Y284 I288 V296 K297 R303 L304Y261-V300 HydrophobicContact CD2-CG2 3.78Å; Y261-V300 HydrophobicContact CE2-CG2 3.82Å; Y284-V300 HydrophobicContact CD1-CG1 3.62Å; Y284-V300 HydrophobicContact CG-CG1 3.96Å; I288-V300 HydrophobicContact CD1-CB 4.15Å; I288-V300 HydrophobicContact CD1-CG1 3.82Å; I288-V300 HydrophobicContact CG1-CB 3.73Å; I288-V300 HydrophobicContact CG1-CG1 3.58Å; V296-V300 HydrophobicContact CG1-CG2 4.26Å; V296-V300 VanDerWaalsContact O-CG2 3.24Å; V296-V300 WeakPolarHBondContact O-CG2 3.42Å; V296-V300 PolarHBondContact O-N 3.18Å; K297-V300 PolarHBondContact O-N 3.47Å; V300-R303 WeakPolarHBondContact O-CB 3.33Å; V300-R303 PolarHBondContact O-N 3.4Å; V300-L304 PolarHBondContact O-N 3.04Å
301L92.7Very high88.7Confident0 Ų053.8 Ų53.80%028%0.279CS..Hα-helixtrans-68.4-38.2176-177.260.5000112I288 K297 L298 I299 R303 L304 T305 K336 L340I288-L301 HydrophobicContact CD1-CB 4.13Å; I288-L301 HydrophobicContact CD1-CD1 4.42Å; K297-L301 WeakPolarHBondContact O-CB 3.5Å; K297-L301 PolarHBondContact O-N 2.93Å; L298-L301 PolarHBondContact O-N 3.25Å; I299-L301 VanDerWaalsContact C-N 3.34Å; I299-L301 PolarHBondContact O-N 3.06Å; L301-R303 VanDerWaalsContact C-N 3.31Å; L301-L304 PolarHBondContact O-N 3.4Å; L301-T305 WeakPolarHBondContact O-CB 3.3Å; L301-T305 PolarHBondContact O-N 3.45Å; L301-T305 PolarHBondContact O-OG1 3.33Å; L301-K336 HydrophobicContact CD2-CB 3.48Å; L301-K336 VanDerWaalsContact CD2-CB 3.48Å; L301-K336 HydrophobicContact CG-CB 4.36Å; L301-L340 HydrophobicContact CD1-CD2 3.8Å
302S90.4Very high88.5Confident58 Ų5853.3 Ų53.341%0.40628%0.277SS..Hα-helixtrans-60-45.2171.1-167.30000110.2L298 I299 L304 T305 D306L298-S302 WeakPolarHBondContact O-CB 3.37Å; L298-S302 PolarHBondContact O-N 3.28Å; I299-S302 WeakPolarHBondContact O-CB 3.25Å; I299-S302 PolarHBondContact O-N 3.39Å; S302-L304 VanDerWaalsContact C-N 3.32Å; S302-L304 PolarHBondContact O-N 2.81Å; S302-T305 CarbonylContact O-C 3.47Å; S302-T305 WeakPolarHBondContact O-CA 3.41Å; S302-T305 WeakPolarHBondContact O-CB 3.44Å; S302-T305 PolarHBondContact O-N 3.32Å; S302-T305 VanDerWaalsContact O-N 3.08Å; S302-D306 PolarHBondContact O-N 3.03Å
303R89.2Confident88.3Confident69 Ų6958 Ų5826%0.2628%0.278SS..Hα-helixtrans-59.8-40.8176.7-165.473.4-170.6165.114.4112.8Y284 I299 V300 L301 T305 D306 L307Y284-R303 HydrophobicContact CE1-CG 4.34Å; Y284-R303 HydrophobicContact CE2-CG 4.1Å; I299-R303 PolarHBondContact O-N 3.07Å; V300-R303 WeakPolarHBondContact O-CB 3.33Å; V300-R303 PolarHBondContact O-N 3.4Å; L301-R303 VanDerWaalsContact C-N 3.31Å; R303-T305 VanDerWaalsContact C-N 3.34Å; R303-D306 PolarHBondContact O-N 2.88Å; R303-L307 PolarHBondContact O-N 2.96Å; R303-L307 VanDerWaalsContact O-N 3.09Å
304L90.8Very high88.2Confident0 Ų055.7 Ų55.70%027%0.266CS..Hα-helixtrans-66.9-36.9175.5-168.965.9000111.7A281 I285 V300 L301 S302 L307 R308 L315 I322 L340A281-L304 HydrophobicContact CB-CD1 4.12Å; I285-L304 HydrophobicContact CG1-CD2 3.96Å; V300-L304 PolarHBondContact O-N 3.04Å; L301-L304 PolarHBondContact O-N 3.4Å; S302-L304 VanDerWaalsContact C-N 3.32Å; S302-L304 PolarHBondContact O-N 2.81Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 3.5Å; L304-R308 PolarHBondContact O-N 2.94Å; L304-L315 HydrophobicContact CD1-CD2 3.69Å; L304-I322 HydrophobicContact CD2-CD1 4.12Å; L304-I322 HydrophobicContact CD2-CG1 4.1Å; L304-L340 HydrophobicContact CD2-CD2 3.83Å; L304-L340 HydrophobicContact CG-CD2 4.09Å
305T89.8Confident88.2Confident40 Ų4053.6 Ų53.625%0.24525%0.254CS..Hα-helixtrans-67.5-37175.7-55.40000111.6L301 S302 R303 R308L301-T305 WeakPolarHBondContact O-CB 3.3Å; L301-T305 PolarHBondContact O-N 3.45Å; L301-T305 PolarHBondContact O-OG1 3.33Å; S302-T305 CarbonylContact O-C 3.47Å; S302-T305 WeakPolarHBondContact O-CA 3.41Å; S302-T305 WeakPolarHBondContact O-CB 3.44Å; S302-T305 PolarHBondContact O-N 3.32Å; S302-T305 VanDerWaalsContact O-N 3.08Å; R303-T305 VanDerWaalsContact C-N 3.34Å; T305-R308 VanDerWaalsContact O-CB 3.24Å; T305-R308 WeakPolarHBondContact O-CB 3.44Å; T305-R308 PolarHBondContact O-N 3.39Å
306D86.3Confident88.3Confident67 Ų6750.2 Ų50.236%0.35824%0.235SC..Hα-helixtrans-66.3-39.1173.6-65.9-29.7000111.5S302 R303 R308 Q309S302-D306 PolarHBondContact O-N 3.03Å; R303-D306 PolarHBondContact O-N 2.88Å; D306-R308 PolarHBondContact O-N 3.13Å; D306-Q309 WeakPolarHBondContact O-CB 3.49Å; D306-Q309 WeakPolarHBondContact O-CG 3.44Å; D306-Q309 PolarHBondContact O-N 2.8Å; D306-Q309 VanDerWaalsContact O-N 3.1Å
307L86.3Confident88.4Confident19 Ų1952.3 Ų52.310%0.09925%0.245CC..Hα-helixtrans-61.1-28.2177.4-168.364.7000112.5T268 I277 A281 R303 L304 Q309 Y310 H311 L315T268-L307 HydrophobicContact CG2-CD1 4.06Å; T268-L307 HydrophobicContact CG2-CD2 4.45Å; I277-L307 HydrophobicContact CG2-CD1 4.33Å; I277-L307 HydrophobicContact CG2-CD2 4.13Å; I277-L307 HydrophobicContact CG2-CG 4.46Å; A281-L307 HydrophobicContact CB-CD2 4.01Å; R303-L307 PolarHBondContact O-N 2.96Å; R303-L307 VanDerWaalsContact O-N 3.09Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 3.5Å; L307-Q309 VanDerWaalsContact C-N 3.26Å; L307-Q309 PolarHBondContact O-N 2.98Å; L307-Y310 PolarHBondContact O-N 3.22Å; L307-H311 PolarHBondContact O-N 3Å; L307-L315 HydrophobicContact CB-CD1 4.46Å; L307-L315 HydrophobicContact CD2-CD2 4.24Å
308R86.9Confident88.4Confident26 Ų2651.5 Ų51.510%0.09824%0.241CC..Hα-helixtrans-59.8-34.5175.6-175.5-176.662.9116.4-2.6112.7L304 T305 D306 Y310 E312 L315 D343 L344L304-R308 PolarHBondContact O-N 2.94Å; T305-R308 VanDerWaalsContact O-CB 3.24Å; T305-R308 WeakPolarHBondContact O-CB 3.44Å; T305-R308 PolarHBondContact O-N 3.39Å; D306-R308 PolarHBondContact O-N 3.13Å; R308-Y310 PolarHBondContact O-N 3.37Å; R308-Y310 VanDerWaalsContact O-N 3.11Å; R308-E312 HydrophobicContact CG-CB 4.35Å; R308-E312 HydrophobicContact CG-CG 4.13Å; R308-E312 PolarHBondContact O-N 2.79Å; R308-L315 HydrophobicContact CB-CD1 3.76Å; R308-L315 HydrophobicContact CG-CD1 4.46Å; R308-D343 IonicContact CZ-OD2 3.28Å; R308-D343 IonicContact NE-OD2 2.65Å; R308-D343 VanDerWaalsContact NH1-CB 3.25Å; R308-D343 IonicContact NH1-OD1 3.88Å; R308-D343 IonicContact NH1-OD2 2.92Å; R308-D343 PolarHBondContact NH1-OD2 3.37Å; R308-D343 IonicContact NH2-OD2 2.74Å; R308-D343 PolarHBondContact NH2-OD2 2.93Å; R308-L344 HydrophobicContact CG-CD2 4.07Å
309Q80.6Confident88.6Confident75 Ų7550.5 Ų50.535%0.3524%0.236SC..Hα-helixtrans-60.8-25.4-176.1-59.4-179.32900112.5D306 L307 L713D306-Q309 WeakPolarHBondContact O-CB 3.49Å; D306-Q309 WeakPolarHBondContact O-CG 3.44Å; D306-Q309 PolarHBondContact O-N 2.8Å; D306-Q309 VanDerWaalsContact O-N 3.1Å; L307-Q309 VanDerWaalsContact C-N 3.26Å; L307-Q309 PolarHBondContact O-N 2.98Å; Q309-L713 WeakPolarHBondContact O-CD1 3.46Å
310Y81.1Confident88.6Confident139 Ų13949.1 Ų49.155%0.54523%0.228SC..Hα-helixtrans-113.7-31.1-177.9-53-78.5000113L307 R308 H716L307-Y310 PolarHBondContact O-N 3.22Å; R308-Y310 PolarHBondContact O-N 3.37Å; R308-Y310 VanDerWaalsContact O-N 3.11Å; Y310-H716 AromaticContact CD1-CE1 3.94Å; Y310-H716 AromaticContact CD1-NE2 3.85Å
311H83.4Confident88.5Confident52 Ų5252.1 Ų52.124%0.24124%0.244CC..Hα-helixtrans-130.938.1-168.4-61.9-52.2000114.4I277 L307 R313 I314 L315I277-H311 HydrophobicContact CG2-CB 4.01Å; L307-H311 PolarHBondContact O-N 3Å; H311-R313 VanDerWaalsContact C-N 3.34Å; H311-R313 PolarHBondContact O-N 3.47Å; H311-I314 HydrophobicContact CB-CD1 4.26Å; H311-I314 PolarHBondContact O-N 3.04Å; H311-I314 VanDerWaalsContact O-N 3.1Å; H311-L315 PolarHBondContact O-N 2.73Å
312E85.7Confident88.6Confident40 Ų4052.1 Ų52.119%0.18724%0.244CC..Hα-helixtrans-48-49.8-179-167.3-165.7154.900113.6R308 I314 L315 Q316 L344 L713R308-E312 HydrophobicContact CG-CB 4.35Å; R308-E312 HydrophobicContact CG-CG 4.13Å; R308-E312 PolarHBondContact O-N 2.79Å; E312-I314 PolarHBondContact O-N 3.05Å; E312-I314 VanDerWaalsContact O-N 3.14Å; E312-L315 WeakPolarHBondContact O-CB 3.33Å; E312-L315 PolarHBondContact O-N 2.95Å; E312-Q316 HydrophobicContact CG-CG 4.43Å; E312-Q316 WeakPolarHBondContact O-CG 3.43Å; E312-Q316 PolarHBondContact O-N 3.26Å; E312-Q316 PolarHBondContact OE1-NE2 3.19Å; E312-L344 HydrophobicContact CG-CD2 3.91Å; E312-L713 HydrophobicContact CB-CD1 4.49Å; E312-L713 WeakPolarHBondContact OE2-CD2 3.25Å
313R87Confident88.7Confident208 Ų20849.5 Ų49.579%0.78523%0.226SC*.Hα-helixtrans-56.6-34.3-177.4-66.4-177.4-176.3176.81.7113.6H311H311-R313 VanDerWaalsContact C-N 3.34Å; H311-R313 PolarHBondContact O-N 3.47Å
314I87.5Confident88.9Confident24 Ų2450.6 Ų50.612%0.12323%0.234CC..Hα-helixtrans-75.4-37.1179.8-59.7173.1000110.1P274 I277 K278 H311 E312 Q316 D317P274-I314 HydrophobicContact CB-CD1 3.82Å; P274-I314 HydrophobicContact CB-CG1 4.38Å; P274-I314 HydrophobicContact CG-CD1 4.46Å; I277-I314 HydrophobicContact CB-CD1 3.9Å; I277-I314 HydrophobicContact CG1-CD1 4.41Å; I277-I314 HydrophobicContact CG2-CD1 3.94Å; I277-I314 HydrophobicContact CG2-CG2 4.2Å; K278-I314 HydrophobicContact CB-CG2 3.79Å; K278-I314 HydrophobicContact CG-CG2 4.36Å; H311-I314 HydrophobicContact CB-CD1 4.26Å; H311-I314 PolarHBondContact O-N 3.04Å; H311-I314 VanDerWaalsContact O-N 3.1Å; E312-I314 PolarHBondContact O-N 3.05Å; E312-I314 VanDerWaalsContact O-N 3.14Å; I314-Q316 VanDerWaalsContact C-N 3.33Å; I314-D317 PolarHBondContact O-N 2.92Å
315L89.9Confident88.9Confident0 Ų050.7 Ų50.70%023%0.234CC..Hα-helixtrans-69.7-31.2175.5-66.1-176.9000112.5A281 L304 L307 R308 H311 E312 D317 L318 I319 L344A281-L315 HydrophobicContact CB-CD2 3.71Å; L304-L315 HydrophobicContact CD1-CD2 3.69Å; L307-L315 HydrophobicContact CB-CD1 4.46Å; L307-L315 HydrophobicContact CD2-CD2 4.24Å; R308-L315 HydrophobicContact CB-CD1 3.76Å; R308-L315 HydrophobicContact CG-CD1 4.46Å; H311-L315 PolarHBondContact O-N 2.73Å; E312-L315 WeakPolarHBondContact O-CB 3.33Å; E312-L315 PolarHBondContact O-N 2.95Å; L315-D317 PolarHBondContact O-N 3.46Å; L315-L318 CarbonylContact O-C 3.59Å; L315-L318 PolarHBondContact O-N 3.46Å; L315-I319 PolarHBondContact O-N 2.91Å; L315-L344 HydrophobicContact CB-CD1 3.88Å; L315-L344 HydrophobicContact CB-CD2 3.67Å; L315-L344 HydrophobicContact CB-CG 4.45Å
316Q91.4Very high89Confident36 Ų3649 Ų4917%0.16822%0.223CC..Hα-helixtrans-58-34.8173.2-68.1177.8-9.300111.9E312 I314 L318 I319 L344 T346E312-Q316 HydrophobicContact CG-CG 4.43Å; E312-Q316 WeakPolarHBondContact O-CG 3.43Å; E312-Q316 PolarHBondContact O-N 3.26Å; E312-Q316 PolarHBondContact OE1-NE2 3.19Å; I314-Q316 VanDerWaalsContact C-N 3.33Å; Q316-L318 VanDerWaalsContact C-N 3.26Å; Q316-L318 PolarHBondContact O-N 2.91Å; Q316-I319 WeakPolarHBondContact O-CB 3.4Å; Q316-I319 WeakPolarHBondContact O-CG2 3.02Å; Q316-I319 PolarHBondContact O-N 3.03Å; Q316-L344 HydrophobicContact CG-CB 4.49Å; Q316-L344 HydrophobicContact CG-CD2 4.23Å; Q316-L344 WeakPolarHBondContact CG-O 3.12Å; Q316-T346 HydrophobicContact CB-CG2 4.21Å; Q316-T346 HydrophobicContact CG-CG2 3.99Å
317D91.1Very high89Confident98 Ų9850.3 Ų50.352%0.52423%0.231SC..THydrogen-bonded Turntrans-70.3-20.4175.4-72.2-12.7000113.4I314 L315I314-D317 PolarHBondContact O-N 2.92Å; L315-D317 PolarHBondContact O-N 3.46Å
318L92.4Very high89.1Confident5 Ų550 Ų503%0.02623%0.231CC..THydrogen-bonded Turntrans-102.26.2-179.3-63.5177.3000112.8K278 A281 I285 L315 Q316 M320 D321 I322K278-L318 HydrophobicContact CG-CD1 4.19Å; K278-L318 HydrophobicContact CG-CD2 4.13Å; K278-L318 HydrophobicContact CG-CG 4.33Å; A281-L318 HydrophobicContact CB-CD1 3.52Å; I285-L318 HydrophobicContact CD1-CB 3.93Å; I285-L318 HydrophobicContact CD1-CD1 4.11Å; L315-L318 CarbonylContact O-C 3.59Å; L315-L318 PolarHBondContact O-N 3.46Å; Q316-L318 VanDerWaalsContact C-N 3.26Å; Q316-L318 PolarHBondContact O-N 2.91Å; L318-M320 PolarHBondContact O-N 3.2Å; L318-D321 PolarHBondContact O-N 3Å; L318-I322 WeakPolarHBondContact O-CG1 3.35Å; L318-I322 PolarHBondContact O-N 2.88Å
319I93.7Very high89Confident2 Ų253.2 Ų53.21%0.0126%0.257CS..Hα-helixtrans-57.7-35.9-174.1-167.9166.3000113.2L315 Q316 D321 I322 V323 T341 L344 V345 T349 L353L315-I319 PolarHBondContact O-N 2.91Å; Q316-I319 WeakPolarHBondContact O-CB 3.4Å; Q316-I319 WeakPolarHBondContact O-CG2 3.02Å; Q316-I319 PolarHBondContact O-N 3.03Å; I319-D321 VanDerWaalsContact C-N 3.26Å; I319-D321 PolarHBondContact O-N 2.84Å; I319-I322 PolarHBondContact O-N 2.96Å; I319-V323 HydrophobicContact CG1-CG2 4.32Å; I319-V323 WeakPolarHBondContact O-CG2 3.39Å; I319-V323 PolarHBondContact O-N 2.9Å; I319-T341 HydrophobicContact CD1-CG2 4.07Å; I319-T341 HydrophobicContact CG1-CG2 4.09Å; I319-L344 VanDerWaalsContact CD1-C 3.48Å; I319-L344 HydrophobicContact CD1-CB 3.77Å; I319-L344 WeakPolarHBondContact CD1-O 2.97Å; I319-L344 HydrophobicContact CG1-CB 4.3Å; I319-V345 HydrophobicContact CD1-CB 4.26Å; I319-T349 HydrophobicContact CG2-CG2 3.71Å; I319-L353 HydrophobicContact CD1-CD1 3.7Å; I319-L353 HydrophobicContact CD1-CD2 4.45Å; I319-L353 HydrophobicContact CG1-CD1 4.38Å; I319-L353 HydrophobicContact CG1-CD2 4.27Å
320M90.9Very high89.4Confident70 Ų7051.6 Ų51.635%0.34525%0.251SS..Hα-helixtrans-66.3-30179.1-63.8-56.9-66.700112.4L318 E352 L353 I356L318-M320 PolarHBondContact O-N 3.2Å; M320-E352 HydrophobicContact CE-CB 3.96Å; M320-E352 HydrophobicContact SD-CB 4.23Å; M320-L353 HydrophobicContact SD-CD2 4.34Å; M320-I356 HydrophobicContact CE-CD1 3.51Å
321D91.8Very high89.6Confident66 Ų6646.2 Ų46.235%0.35323%0.231SC..Hα-helixtrans-80.1-37.8174.9-59.7-35.9000110.6I285 L318 I319 V323 Q324I285-D321 HydrophobicContact CD1-CB 4.27Å; I285-D321 HydrophobicContact CG2-CB 3.95Å; L318-D321 PolarHBondContact O-N 3Å; I319-D321 VanDerWaalsContact C-N 3.26Å; I319-D321 PolarHBondContact O-N 2.84Å; D321-V323 VanDerWaalsContact C-N 3.32Å; D321-V323 PolarHBondContact O-N 2.58Å; D321-Q324 WeakPolarHBondContact O-CB 3.23Å; D321-Q324 PolarHBondContact O-N 2.84Å
322I93.9Very high89.9Confident0 Ų048 Ų480%024%0.239CC..Hα-helixtrans-60.6-42.1175.8-65.7172000110.9I285 L304 L318 I319 Q324 I325 T337 L340 L344I285-I322 HydrophobicContact CD1-CD1 4.32Å; I285-I322 HydrophobicContact CD1-CG1 3.57Å; I285-I322 HydrophobicContact CG1-CG1 3.98Å; L304-I322 HydrophobicContact CD2-CD1 4.12Å; L304-I322 HydrophobicContact CD2-CG1 4.1Å; L318-I322 WeakPolarHBondContact O-CG1 3.35Å; L318-I322 PolarHBondContact O-N 2.88Å; I319-I322 PolarHBondContact O-N 2.96Å; I322-Q324 PolarHBondContact O-N 3.13Å; I322-I325 HydrophobicContact CG2-CD1 4.42Å; I322-I325 WeakPolarHBondContact O-CB 3.17Å; I322-I325 VanDerWaalsContact O-CG1 3.28Å; I322-I325 WeakPolarHBondContact O-CG1 3.42Å; I322-I325 PolarHBondContact O-N 2.98Å; I322-T337 HydrophobicContact CG2-CG2 4.39Å; I322-L340 HydrophobicContact CG2-CD2 4.1Å; I322-L340 HydrophobicContact CG2-CG 4.46Å; I322-L344 HydrophobicContact CD1-CD1 3.51Å
323V93.2Very high90.1Very high3 Ų346 Ų462%0.01823%0.23CC..Hα-helixtrans-62-28.2-179.1172.90000112.1I319 D321 I325 I326 T341 L353 I356 F357I319-V323 HydrophobicContact CG1-CG2 4.32Å; I319-V323 WeakPolarHBondContact O-CG2 3.39Å; I319-V323 PolarHBondContact O-N 2.9Å; D321-V323 VanDerWaalsContact C-N 3.32Å; D321-V323 PolarHBondContact O-N 2.58Å; V323-I325 PolarHBondContact O-N 3.41Å; V323-I325 VanDerWaalsContact O-N 3.16Å; V323-I326 VanDerWaalsContact O-CB 3.32Å; V323-I326 WeakPolarHBondContact O-CB 3.36Å; V323-I326 WeakPolarHBondContact O-CG2 3.12Å; V323-I326 PolarHBondContact O-N 3.26Å; V323-T341 HydrophobicContact CG2-CG2 3.6Å; V323-L353 HydrophobicContact CB-CD2 4.33Å; V323-L353 HydrophobicContact CG1-CD2 4.46Å; V323-L353 HydrophobicContact CG2-CD2 3.23Å; V323-I356 HydrophobicContact CG1-CB 4.44Å; V323-I356 HydrophobicContact CG1-CD1 4.2Å; V323-I356 HydrophobicContact CG1-CG2 3.72Å; V323-F357 HydrophobicContact CG1-CE1 4.25Å
324Q92.3Very high90.4Very high92 Ų9238.2 Ų38.243%0.4320%0.201SC..G310 helixtrans-62.3-23.7177.2-63174.933.200112.6L289 D321 I322 I326 N327L289-Q324 HydrophobicContact CD1-CB 4.45Å; L289-Q324 HydrophobicContact CD2-CB 4.03Å; D321-Q324 WeakPolarHBondContact O-CB 3.23Å; D321-Q324 PolarHBondContact O-N 2.84Å; I322-Q324 PolarHBondContact O-N 3.13Å; Q324-I326 PolarHBondContact O-N 2.89Å; Q324-N327 WeakPolarHBondContact O-CB 3.49Å; Q324-N327 PolarHBondContact O-N 3.31Å; Q324-N327 PolarHBondContact O-ND2 3.48Å
325I92.3Very high90.5Very high3 Ų341.2 Ų41.22%0.01522%0.215CC..G310 helixtrans-62.6-23.4177-59.4167.4000111.3I285 I288 L289 I322 V323 N327 A328 V333 T337I285-I325 HydrophobicContact CG2-CD1 4.35Å; I288-I325 HydrophobicContact CB-CD1 4.24Å; I288-I325 HydrophobicContact CB-CG1 4.4Å; I288-I325 HydrophobicContact CD1-CD1 3.87Å; I288-I325 HydrophobicContact CG2-CB 4.29Å; I288-I325 HydrophobicContact CG2-CD1 3.95Å; I288-I325 HydrophobicContact CG2-CG1 3.86Å; I288-I325 HydrophobicContact CG2-CG2 3.48Å; I288-I325 VanDerWaalsContact CG2-CG2 3.48Å; L289-I325 HydrophobicContact CD2-CB 4.48Å; L289-I325 HydrophobicContact CD2-CG1 3.89Å; L289-I325 HydrophobicContact CG-CG1 4.31Å; I322-I325 HydrophobicContact CG2-CD1 4.42Å; I322-I325 WeakPolarHBondContact O-CB 3.17Å; I322-I325 VanDerWaalsContact O-CG1 3.28Å; I322-I325 WeakPolarHBondContact O-CG1 3.42Å; I322-I325 PolarHBondContact O-N 2.98Å; V323-I325 PolarHBondContact O-N 3.41Å; V323-I325 VanDerWaalsContact O-N 3.16Å; I325-N327 PolarHBondContact O-N 3.42Å; I325-A328 VanDerWaalsContact O-CB 3.24Å; I325-A328 WeakPolarHBondContact O-CB 3.47Å; I325-A328 PolarHBondContact O-N 3.21Å; I325-V333 HydrophobicContact CG2-CG1 3.87Å; I325-T337 HydrophobicContact CB-CG2 3.86Å; I325-T337 HydrophobicContact CG2-CG2 4.16Å; I325-T337 VanDerWaalsContact CG2-OG1 3.28Å; I325-T337 WeakPolarHBondContact CG2-OG1 3.42Å
326I90.8Very high90.5Very high3 Ų345.1 Ų45.12%0.01523%0.231CC..G310 helixtrans-59.9-22.3178.2-152.6176.3000113V323 Q324 A328 R334 L338 F357 Y393 L397V323-I326 VanDerWaalsContact O-CB 3.32Å; V323-I326 WeakPolarHBondContact O-CB 3.36Å; V323-I326 WeakPolarHBondContact O-CG2 3.12Å; V323-I326 PolarHBondContact O-N 3.26Å; Q324-I326 PolarHBondContact O-N 2.89Å; I326-A328 PolarHBondContact O-N 3.18Å; I326-A328 VanDerWaalsContact O-N 3.17Å; I326-R334 HydrophobicContact CG1-CG 4.3Å; I326-R334 WeakPolarHBondContact O-CG 3.24Å; I326-R334 PolarHBondContact O-NE 2.82Å; I326-L338 HydrophobicContact CD1-CD1 4.36Å; I326-L338 HydrophobicContact CD1-CD2 3.49Å; I326-L338 VanDerWaalsContact CD1-CD2 3.49Å; I326-L338 HydrophobicContact CD1-CG 3.88Å; I326-F357 HydrophobicContact CD1-CD1 4.32Å; I326-F357 HydrophobicContact CD1-CE1 3.94Å; I326-Y393 HydrophobicContact CD1-CE2 4.12Å; I326-Y393 WeakPolarHBondContact CD1-OH 2.76Å; I326-Y393 HydrophobicContact CG1-CE2 4.12Å; I326-Y393 WeakPolarHBondContact CG1-OH 2.93Å; I326-L397 HydrophobicContact CD1-CD2 3.83Å
327N87.8Confident90.6Very high96 Ų9643.4 Ų43.451%0.51322%0.224SC..G310 helixtrans-71.3-2.3174.9-64.7-64.8000113.7Q324 I325Q324-N327 WeakPolarHBondContact O-CB 3.49Å; Q324-N327 PolarHBondContact O-N 3.31Å; Q324-N327 PolarHBondContact O-ND2 3.48Å; I325-N327 PolarHBondContact O-N 3.42Å
328A87.2Confident90.7Very high12 Ų1238.9 Ų38.910%0.09920%0.199CC..SBendtrans-55.1151.6171.700000110.9I325 I326 D330 V333 R334I325-A328 VanDerWaalsContact O-CB 3.24Å; I325-A328 WeakPolarHBondContact O-CB 3.47Å; I325-A328 PolarHBondContact O-N 3.21Å; I326-A328 PolarHBondContact O-N 3.18Å; I326-A328 VanDerWaalsContact O-N 3.17Å; A328-D330 VanDerWaalsContact C-N 3.35Å; A328-V333 HydrophobicContact CB-CB 4.26Å; A328-V333 HydrophobicContact CB-CG1 3.73Å; A328-R334 PolarHBondContact O-NE 2.77Å; A328-R334 PolarHBondContact O-NH2 2.73Å
329S85.4Confident90.6Very high93 Ų9341.6 Ų41.665%0.6521%0.214SC*.SBendtrans-75.3-27.3177.149.90000112.8
330D88.7Confident90.5Very high42 Ų4241.6 Ų41.623%0.22521%0.214CC..  trans-81.7135.1-173.2-174.5-87.9000113N294 A328 E332 V333 R334N294-D330 HydrophobicContact CB-CB 4.18Å; A328-D330 VanDerWaalsContact C-N 3.35Å; D330-E332 WeakPolarHBondContact OD1-CA 3.4Å; D330-E332 WeakPolarHBondContact OD1-CB 3.29Å; D330-E332 PolarHBondContact OD1-N 3Å; D330-V333 HydrophobicContact CB-CB 4.1Å; D330-V333 HydrophobicContact CB-CG2 3.87Å; D330-V333 WeakPolarHBondContact OD1-CG2 3.29Å; D330-V333 PolarHBondContact OD1-N 3.46Å; D330-R334 WeakPolarHBondContact O-CG 3.27Å; D330-R334 PolarHBondContact O-N 2.97Å; D330-R334 VanDerWaalsContact O-N 3.13Å
331M86.1Confident90.5Very high25 Ų2538.3 Ų38.312%0.12320%0.198CC..Hα-helixtrans-71.3-38.8-177.3-82.2-49.8-57.200114.1R334 Q335 D389 V392 Y393M331-R334 WeakPolarHBondContact O-CB 3.34Å; M331-R334 PolarHBondContact O-N 2.81Å; M331-Q335 WeakPolarHBondContact O-CB 3.43Å; M331-Q335 PolarHBondContact O-N 3.47Å; M331-D389 WeakPolarHBondContact CE-O 3.16Å; M331-D389 HydrophobicContact CG-CB 3.45Å; M331-D389 VanDerWaalsContact CG-CB 3.45Å; M331-D389 HydrophobicContact SD-CB 4.3Å; M331-V392 HydrophobicContact CE-CB 4.47Å; M331-V392 HydrophobicContact CE-CG1 4.39Å; M331-Y393 VanDerWaalsContact CE-CB 3.4Å; M331-Y393 HydrophobicContact CE-CD2 4.09Å; M331-Y393 HydrophobicContact CE-CG 4.09Å; M331-Y393 HydrophobicContact SD-CD2 4.39Å; M331-Y393 HydrophobicContact SD-CG 4.15Å
332E88.8Confident90.4Very high89 Ų8936.3 Ų36.342%0.41619%0.186SC..Hα-helixtrans-67.9-41.3179.3-166.3-173.4155.900110.2L298 D330 R334 Q335 K336L298-E332 HydrophobicContact CD2-CB 4.24Å; L298-E332 HydrophobicContact CD2-CG 4.01Å; D330-E332 WeakPolarHBondContact OD1-CA 3.4Å; D330-E332 WeakPolarHBondContact OD1-CB 3.29Å; D330-E332 PolarHBondContact OD1-N 3Å; E332-R334 VanDerWaalsContact C-N 3.34Å; E332-R334 PolarHBondContact O-N 3.32Å; E332-Q335 PolarHBondContact O-N 2.84Å; E332-K336 HydrophobicContact CG-CD 4.36Å; E332-K336 WeakPolarHBondContact O-CB 3.45Å; E332-K336 PolarHBondContact O-N 3.39Å; E332-K336 WeakPolarHBondContact OE1-CE 3.32Å; E332-K336 IonicContact OE1-NZ 3.86Å; E332-K336 PolarHBondContact OE1-NZ 3.31Å
333V91.1Very high90Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-58.5-46.1173.3176.90000110.5K297 L298 I325 A328 D330 T337K297-V333 HydrophobicContact CB-CG2 4.08Å; L298-V333 HydrophobicContact CD2-CG2 3.68Å; L298-V333 HydrophobicContact CG-CG2 3.87Å; I325-V333 HydrophobicContact CG2-CG1 3.87Å; A328-V333 HydrophobicContact CB-CB 4.26Å; A328-V333 HydrophobicContact CB-CG1 3.73Å; D330-V333 HydrophobicContact CB-CB 4.1Å; D330-V333 HydrophobicContact CB-CG2 3.87Å; D330-V333 WeakPolarHBondContact OD1-CG2 3.29Å; D330-V333 PolarHBondContact OD1-N 3.46Å; V333-T337 VanDerWaalsContact O-CB 3.25Å; V333-T337 WeakPolarHBondContact O-CB 3.21Å; V333-T337 PolarHBondContact O-N 2.82Å; V333-T337 PolarHBondContact O-OG1 3.17Å
334R92.8Very high89.9Confident43 Ų4337.1 Ų37.116%0.16219%0.191CC..Hα-helixtrans-60.2-48.7176.4-76172.7178.8177.710.8112.2I326 A328 D330 M331 E332 T337 L338 Y393I326-R334 HydrophobicContact CG1-CG 4.3Å; I326-R334 WeakPolarHBondContact O-CG 3.24Å; I326-R334 PolarHBondContact O-NE 2.82Å; A328-R334 PolarHBondContact O-NE 2.77Å; A328-R334 PolarHBondContact O-NH2 2.73Å; D330-R334 WeakPolarHBondContact O-CG 3.27Å; D330-R334 PolarHBondContact O-N 2.97Å; D330-R334 VanDerWaalsContact O-N 3.13Å; M331-R334 WeakPolarHBondContact O-CB 3.34Å; M331-R334 PolarHBondContact O-N 2.81Å; E332-R334 VanDerWaalsContact C-N 3.34Å; E332-R334 PolarHBondContact O-N 3.32Å; R334-T337 WeakPolarHBondContact O-CB 3.47Å; R334-T337 PolarHBondContact O-N 3.03Å; R334-L338 WeakPolarHBondContact O-CG 2.9Å; R334-L338 PolarHBondContact O-N 3.49Å; R334-Y393 HydrophobicContact CB-CD2 4.22Å; R334-Y393 HydrophobicContact CB-CE2 4.01Å; R334-Y393 HydrophobicContact CG-CE2 4.09Å
335Q89.2Confident89.8Confident88 Ų8833.3 Ų33.341%0.41117%0.174SC..Hα-helixtrans-64.7-45-177.7-167.4-17822.100111.7M331 E332 T337 L338 N339M331-Q335 WeakPolarHBondContact O-CB 3.43Å; M331-Q335 PolarHBondContact O-N 3.47Å; E332-Q335 PolarHBondContact O-N 2.84Å; Q335-T337 VanDerWaalsContact C-N 3.31Å; Q335-T337 PolarHBondContact O-N 3.46Å; Q335-L338 PolarHBondContact O-N 3.43Å; Q335-N339 WeakPolarHBondContact O-CB 3.37Å; Q335-N339 VanDerWaalsContact O-CG 3.29Å; Q335-N339 PolarHBondContact O-N 2.84Å; Q335-N339 PolarHBondContact O-ND2 3.23Å
336K90.4Very high89.8Confident81 Ų8134.1 Ų34.135%0.35218%0.179SC..Hα-helixtrans-63.8-36.1174.5-78178.3170.2165.40112.1L298 L301 E332 N339 L340L298-K336 HydrophobicContact CD2-CD 3.93Å; L301-K336 HydrophobicContact CD2-CB 3.48Å; L301-K336 VanDerWaalsContact CD2-CB 3.48Å; L301-K336 HydrophobicContact CG-CB 4.36Å; E332-K336 HydrophobicContact CG-CD 4.36Å; E332-K336 WeakPolarHBondContact O-CB 3.45Å; E332-K336 PolarHBondContact O-N 3.39Å; E332-K336 WeakPolarHBondContact OE1-CE 3.32Å; E332-K336 IonicContact OE1-NZ 3.86Å; E332-K336 PolarHBondContact OE1-NZ 3.31Å; K336-N339 PolarHBondContact O-N 3.46Å; K336-L340 WeakPolarHBondContact O-CB 3.25Å; K336-L340 PolarHBondContact O-N 2.86Å
337T93.8Very high89.7Confident1 Ų137.7 Ų37.71%0.00621%0.209CC..Hα-helixtrans-66.6-43.7175.3-59.40000111.8I322 I325 V333 R334 Q335 N339 L340 T341I322-T337 HydrophobicContact CG2-CG2 4.39Å; I325-T337 HydrophobicContact CB-CG2 3.86Å; I325-T337 HydrophobicContact CG2-CG2 4.16Å; I325-T337 VanDerWaalsContact CG2-OG1 3.28Å; I325-T337 WeakPolarHBondContact CG2-OG1 3.42Å; V333-T337 VanDerWaalsContact O-CB 3.25Å; V333-T337 WeakPolarHBondContact O-CB 3.21Å; V333-T337 PolarHBondContact O-N 2.82Å; V333-T337 PolarHBondContact O-OG1 3.17Å; R334-T337 WeakPolarHBondContact O-CB 3.47Å; R334-T337 PolarHBondContact O-N 3.03Å; Q335-T337 VanDerWaalsContact C-N 3.31Å; Q335-T337 PolarHBondContact O-N 3.46Å; T337-N339 VanDerWaalsContact C-N 3.35Å; T337-L340 PolarHBondContact O-N 3.37Å; T337-T341 WeakPolarHBondContact O-CB 3.23Å; T337-T341 PolarHBondContact O-N 2.8Å; T337-T341 PolarHBondContact O-OG1 2.79Å
338L92.6Very high89.8Confident2 Ų242.6 Ų42.61%0.0122%0.22CC..Hα-helixtrans-60.7-45.8174.3-76.6173.4000110.9I326 R334 Q335 L340 T341 M342 F357 Y393 L397 T400I326-L338 HydrophobicContact CD1-CD1 4.36Å; I326-L338 HydrophobicContact CD1-CD2 3.49Å; I326-L338 VanDerWaalsContact CD1-CD2 3.49Å; I326-L338 HydrophobicContact CD1-CG 3.88Å; R334-L338 WeakPolarHBondContact O-CG 2.9Å; R334-L338 PolarHBondContact O-N 3.49Å; Q335-L338 PolarHBondContact O-N 3.43Å; L338-L340 PolarHBondContact O-N 3.17Å; L338-T341 PolarHBondContact O-N 2.83Å; L338-M342 WeakPolarHBondContact O-CB 3.43Å; L338-M342 PolarHBondContact O-N 2.79Å; L338-F357 HydrophobicContact CD2-CD1 4.39Å; L338-F357 HydrophobicContact CD2-CE1 3.66Å; L338-F357 HydrophobicContact CD2-CZ 3.84Å; L338-Y393 HydrophobicContact CD1-CE2 4.35Å; L338-L397 HydrophobicContact CD1-CD2 4.22Å; L338-L397 HydrophobicContact CD1-CG 4.48Å; L338-L397 HydrophobicContact CD2-CD2 4.08Å; L338-T400 HydrophobicContact CD2-CG2 4.11Å
339N90.1Very high90Very high63 Ų6343.1 Ų43.134%0.33722%0.222SC..Hα-helixtrans-58.4-45175.6-78.9-26.6000112.2Q335 K336 T337 D343 R709Q335-N339 WeakPolarHBondContact O-CB 3.37Å; Q335-N339 VanDerWaalsContact O-CG 3.29Å; Q335-N339 PolarHBondContact O-N 2.84Å; Q335-N339 PolarHBondContact O-ND2 3.23Å; K336-N339 PolarHBondContact O-N 3.46Å; T337-N339 VanDerWaalsContact C-N 3.35Å; N339-D343 PolarHBondContact O-N 2.98Å; N339-R709 PolarHBondContact O-NH2 2.72Å
340L91Very high90.3Very high2 Ų238.8 Ų38.81%0.0119%0.191CC..Hα-helixtrans-66.7-40.7176.7-179.359.9000111.8L301 L304 I322 K336 T337 L338 D343 L344L301-L340 HydrophobicContact CD1-CD2 3.8Å; L304-L340 HydrophobicContact CD2-CD2 3.83Å; L304-L340 HydrophobicContact CG-CD2 4.09Å; I322-L340 HydrophobicContact CG2-CD2 4.1Å; I322-L340 HydrophobicContact CG2-CG 4.46Å; K336-L340 WeakPolarHBondContact O-CB 3.25Å; K336-L340 PolarHBondContact O-N 2.86Å; T337-L340 PolarHBondContact O-N 3.37Å; L338-L340 PolarHBondContact O-N 3.17Å; L340-D343 WeakPolarHBondContact O-CB 3.45Å; L340-D343 PolarHBondContact O-N 2.83Å; L340-L344 HydrophobicContact CD1-CD1 3.96Å; L340-L344 HydrophobicContact CD1-CG 4.29Å; L340-L344 HydrophobicContact CG-CD1 3.96Å; L340-L344 WeakPolarHBondContact O-CG 3.27Å; L340-L344 PolarHBondContact O-N 2.76Å; L340-L344 VanDerWaalsContact O-N 3.14Å
341T92.1Very high90.5Very high1 Ų141.7 Ų41.71%0.00620%0.204CC..Hα-helixtrans-65.1-41.7178.2-55.80000111.4I319 V323 T337 L338 D343 L344 V345 L353 F357I319-T341 HydrophobicContact CD1-CG2 4.07Å; I319-T341 HydrophobicContact CG1-CG2 4.09Å; V323-T341 HydrophobicContact CG2-CG2 3.6Å; T337-T341 WeakPolarHBondContact O-CB 3.23Å; T337-T341 PolarHBondContact O-N 2.8Å; T337-T341 PolarHBondContact O-OG1 2.79Å; L338-T341 PolarHBondContact O-N 2.83Å; T341-D343 PolarHBondContact O-N 2.93Å; T341-L344 PolarHBondContact O-N 2.91Å; T341-L344 VanDerWaalsContact O-N 3.1Å; T341-V345 PolarHBondContact O-N 2.89Å; T341-L353 HydrophobicContact CG2-CD1 4.33Å; T341-L353 HydrophobicContact CG2-CD2 4.04Å; T341-F357 HydrophobicContact CG2-CE2 4.35Å; T341-F357 HydrophobicContact CG2-CZ 3.85Å
342M88.1Confident90.8Very high23 Ų2344.6 Ų44.611%0.11322%0.217CC..Hα-helixtrans-59.5-32.3175.1-177.662.3-16200111.9L338 V345 T400 D403 I404 R407L338-M342 WeakPolarHBondContact O-CB 3.43Å; L338-M342 PolarHBondContact O-N 2.79Å; M342-V345 WeakPolarHBondContact O-CG1 3.46Å; M342-T400 HydrophobicContact CB-CG2 4.43Å; M342-T400 HydrophobicContact SD-CG2 4.36Å; M342-D403 HydrophobicContact CE-CB 3.19Å; M342-D403 HydrophobicContact SD-CB 3.85Å; M342-I404 HydrophobicContact SD-CG1 3.9Å; M342-R407 PolarHBondContact O-NH1 3.49Å; M342-R407 PolarHBondContact O-NH2 2.91Å; M342-R407 PolarHBondContact SD-NH2 2.83Å
343D86.9Confident91Very high21 Ų2140.4 Ų40.411%0.11220%0.197CC..Hα-helixtrans-77.3-31175.1-69.3-23.2000113R308 N339 L340 T341 R709R308-D343 IonicContact CZ-OD2 3.28Å; R308-D343 IonicContact NE-OD2 2.65Å; R308-D343 VanDerWaalsContact NH1-CB 3.25Å; R308-D343 IonicContact NH1-OD1 3.88Å; R308-D343 IonicContact NH1-OD2 2.92Å; R308-D343 PolarHBondContact NH1-OD2 3.37Å; R308-D343 IonicContact NH2-OD2 2.74Å; R308-D343 PolarHBondContact NH2-OD2 2.93Å; N339-D343 PolarHBondContact O-N 2.98Å; L340-D343 WeakPolarHBondContact O-CB 3.45Å; L340-D343 PolarHBondContact O-N 2.83Å; T341-D343 PolarHBondContact O-N 2.93Å; D343-R709 IonicContact OD1-CZ 3.19Å; D343-R709 IonicContact OD1-NE 2.84Å; D343-R709 PolarHBondContact OD1-NE 2.77Å; D343-R709 IonicContact OD1-NH1 2.84Å; D343-R709 IonicContact OD1-NH2 2.65Å; D343-R709 PolarHBondContact OD1-NH2 3Å; D343-R709 VanDerWaalsContact OD1-NH2 3.14Å; D343-R709 IonicContact OD2-CZ 3.64Å; D343-R709 IonicContact OD2-NE 3.48Å; D343-R709 PolarHBondContact OD2-NE 2.9Å; D343-R709 VanDerWaalsContact OD2-NE 3.1Å; D343-R709 IonicContact OD2-NH2 2.74Å; D343-R709 PolarHBondContact OD2-NH2 2.88Å
344L90Very high91.1Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-95.2-7.5-173.4-65174.7000114.2R308 E312 L315 Q316 I319 I322 L340 T341 T346R308-L344 HydrophobicContact CG-CD2 4.07Å; E312-L344 HydrophobicContact CG-CD2 3.91Å; L315-L344 HydrophobicContact CB-CD1 3.88Å; L315-L344 HydrophobicContact CB-CD2 3.67Å; L315-L344 HydrophobicContact CB-CG 4.45Å; Q316-L344 HydrophobicContact CG-CB 4.49Å; Q316-L344 HydrophobicContact CG-CD2 4.23Å; Q316-L344 WeakPolarHBondContact CG-O 3.12Å; I319-L344 VanDerWaalsContact CD1-C 3.48Å; I319-L344 HydrophobicContact CD1-CB 3.77Å; I319-L344 WeakPolarHBondContact CD1-O 2.97Å; I319-L344 HydrophobicContact CG1-CB 4.3Å; I322-L344 HydrophobicContact CD1-CD1 3.51Å; L340-L344 HydrophobicContact CD1-CD1 3.96Å; L340-L344 HydrophobicContact CD1-CG 4.29Å; L340-L344 HydrophobicContact CG-CD1 3.96Å; L340-L344 WeakPolarHBondContact O-CG 3.27Å; L340-L344 PolarHBondContact O-N 2.76Å; L340-L344 VanDerWaalsContact O-N 3.14Å; T341-L344 PolarHBondContact O-N 2.91Å; T341-L344 VanDerWaalsContact O-N 3.1Å; L344-T346 PolarHBondContact O-N 3.08Å
345V91.5Very high91.1Very high11 Ų1142.1 Ų42.17%0.06721%0.206CC..  trans-66.3136.6-175.659.60000112.2I319 T341 M342 A350 L353 I404 F408I319-V345 HydrophobicContact CD1-CB 4.26Å; T341-V345 PolarHBondContact O-N 2.89Å; M342-V345 WeakPolarHBondContact O-CG1 3.46Å; V345-A350 HydrophobicContact CG2-CB 4.1Å; V345-L353 HydrophobicContact CB-CD1 3.85Å; V345-L353 HydrophobicContact CG2-CD1 3.5Å; V345-I404 HydrophobicContact CG1-CG1 4.35Å; V345-I404 HydrophobicContact CG2-CG2 4.46Å; V345-F408 HydrophobicContact CB-CE2 4.49Å; V345-F408 HydrophobicContact CG1-CE2 4.02Å; V345-F408 HydrophobicContact CG2-CD2 4.29Å; V345-F408 HydrophobicContact CG2-CE2 3.77Å
346T90.7Very high91.3Very high21 Ų2140.5 Ų40.513%0.12920%0.2CC..  trans-124.2165.2176.868.40000110Q316 L344 R348 T349 A350Q316-T346 HydrophobicContact CB-CG2 4.21Å; Q316-T346 HydrophobicContact CG-CG2 3.99Å; L344-T346 PolarHBondContact O-N 3.08Å; T346-R348 PolarHBondContact O-N 2.86Å; T346-R348 VanDerWaalsContact O-N 3.11Å; T346-T349 PolarHBondContact N-OG1 3.15Å; T346-T349 PolarHBondContact O-N 2.85Å; T346-T349 VanDerWaalsContact O-N 3.08Å; T346-T349 PolarHBondContact O-OG1 3.37Å; T346-T349 PolarHBondContact OG1-OG1 3Å; T346-A350 WeakPolarHBondContact O-CB 3.27Å; T346-A350 PolarHBondContact O-N 3.24Å
347A89.7Confident91.5Very high77 Ų7736.7 Ų36.764%0.63618%0.183SC*.THydrogen-bonded Turntrans-56-30.517700000113.2F408A347-F408 HydrophobicContact CB-CD1 3.96Å; A347-F408 HydrophobicContact CB-CE1 3.78Å
348R90.1Very high91.5Very high200 Ų20041.2 Ų41.276%0.75520%0.2SC*.THydrogen-bonded Turntrans-73.3-31.9179.5-64-171.5-62.5-1242.5113.4T346T346-R348 PolarHBondContact O-N 2.86Å; T346-R348 VanDerWaalsContact O-N 3.11Å
349T90Very high91.5Very high23 Ų2348.7 Ų48.714%0.14123%0.232CC..THydrogen-bonded Turntrans-100.5-17.4-173.559.30000112.1I319 T346 E351 E352 L353I319-T349 HydrophobicContact CG2-CG2 3.71Å; T346-T349 PolarHBondContact N-OG1 3.15Å; T346-T349 PolarHBondContact O-N 2.85Å; T346-T349 VanDerWaalsContact O-N 3.08Å; T346-T349 PolarHBondContact O-OG1 3.37Å; T346-T349 PolarHBondContact OG1-OG1 3Å; T349-E351 VanDerWaalsContact C-N 3.34Å; T349-E351 PolarHBondContact O-N 3.16Å; T349-E352 PolarHBondContact O-N 3.04Å; T349-L353 VanDerWaalsContact O-CG 3.25Å; T349-L353 WeakPolarHBondContact O-CG 2.98Å; T349-L353 PolarHBondContact O-N 2.92Å
350A92.1Very high91.5Very high1 Ų146.4 Ų46.41%0.00822%0.22CC..Hα-helixtrans-52.6-45.2-176.700000113.5V345 T346 L353 I354 I404 F408 V411V345-A350 HydrophobicContact CG2-CB 4.1Å; T346-A350 WeakPolarHBondContact O-CB 3.27Å; T346-A350 PolarHBondContact O-N 3.24Å; A350-L353 PolarHBondContact O-N 3.43Å; A350-I354 WeakPolarHBondContact O-CB 3.41Å; A350-I354 VanDerWaalsContact O-CG1 3.27Å; A350-I354 WeakPolarHBondContact O-CG1 3.47Å; A350-I354 PolarHBondContact O-N 3.12Å; A350-I404 HydrophobicContact CB-CG2 4.5Å; A350-F408 HydrophobicContact CB-CB 4.06Å; A350-F408 HydrophobicContact CB-CD2 3.78Å; A350-F408 HydrophobicContact CB-CE2 4.41Å; A350-F408 HydrophobicContact CB-CG 3.89Å; A350-V411 HydrophobicContact CB-CG1 4.02Å
351E93.1Very high91.5Very high104 Ų10446.4 Ų46.449%0.48622%0.22SC..Hα-helixtrans-63.1-46-177.9-165-169.1147.100112.3T349 I354 K355 V411T349-E351 VanDerWaalsContact C-N 3.34Å; T349-E351 PolarHBondContact O-N 3.16Å; E351-I354 PolarHBondContact O-N 3.42Å; E351-K355 WeakPolarHBondContact O-CG 3.5Å; E351-K355 PolarHBondContact O-N 3.02Å; E351-K355 VanDerWaalsContact O-N 3.1Å; E351-K355 VanDerWaalsContact OE1-CE 3.31Å; E351-K355 WeakPolarHBondContact OE1-CE 3.28Å; E351-K355 IonicContact OE1-NZ 2.84Å; E351-K355 PolarHBondContact OE1-NZ 3.04Å; E351-V411 HydrophobicContact CB-CG1 4.48Å
352E92Very high91.4Very high86 Ų8649 Ų4940%0.40223%0.233SC..Hα-helixtrans-69.5-37.8179.4-68.1-56.9126.800112.1M320 T349 I354 K355 I356M320-E352 HydrophobicContact CE-CB 3.96Å; M320-E352 HydrophobicContact SD-CB 4.23Å; T349-E352 PolarHBondContact O-N 3.04Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 3.11Å; E352-K355 WeakPolarHBondContact O-CB 3.02Å; E352-K355 PolarHBondContact O-N 2.66Å; E352-K355 IonicContact OE1-NZ 3.17Å; E352-K355 PolarHBondContact OE1-NZ 3.22Å; E352-I356 WeakPolarHBondContact O-CG1 3.19Å; E352-I356 PolarHBondContact O-N 3.07Å
353L93.8Very high91.4Very high0 Ų052.5 Ų52.50%025%0.248CC..Hα-helixtrans-61.2-43.4174.4-70172.5000111.8I319 M320 V323 T341 V345 T349 A350 K355 I356 F357I319-L353 HydrophobicContact CD1-CD1 3.7Å; I319-L353 HydrophobicContact CD1-CD2 4.45Å; I319-L353 HydrophobicContact CG1-CD1 4.38Å; I319-L353 HydrophobicContact CG1-CD2 4.27Å; M320-L353 HydrophobicContact SD-CD2 4.34Å; V323-L353 HydrophobicContact CB-CD2 4.33Å; V323-L353 HydrophobicContact CG1-CD2 4.46Å; V323-L353 HydrophobicContact CG2-CD2 3.23Å; T341-L353 HydrophobicContact CG2-CD1 4.33Å; T341-L353 HydrophobicContact CG2-CD2 4.04Å; V345-L353 HydrophobicContact CB-CD1 3.85Å; V345-L353 HydrophobicContact CG2-CD1 3.5Å; T349-L353 VanDerWaalsContact O-CG 3.25Å; T349-L353 WeakPolarHBondContact O-CG 2.98Å; T349-L353 PolarHBondContact O-N 2.92Å; A350-L353 PolarHBondContact O-N 3.43Å; L353-K355 VanDerWaalsContact C-N 3.32Å; L353-K355 PolarHBondContact O-N 2.59Å; L353-I356 PolarHBondContact O-N 3.16Å; L353-F357 HydrophobicContact CB-CD2 4.45Å; L353-F357 HydrophobicContact CB-CE2 4.28Å; L353-F357 WeakPolarHBondContact O-CB 3.22Å; L353-F357 WeakPolarHBondContact O-CD2 3.24Å; L353-F357 WeakPolarHBondContact O-CG 3.34Å; L353-F357 PolarHBondContact O-N 3.23Å
354I93.5Very high91.3Very high0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-64.6-38.5177.2-70.3-67000110.8A350 E351 E352 I356 F357 R358 I401 I404 V411 S414 I415A350-I354 WeakPolarHBondContact O-CB 3.41Å; A350-I354 VanDerWaalsContact O-CG1 3.27Å; A350-I354 WeakPolarHBondContact O-CG1 3.47Å; A350-I354 PolarHBondContact O-N 3.12Å; E351-I354 PolarHBondContact O-N 3.42Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 3.11Å; I354-I356 VanDerWaalsContact C-N 3.31Å; I354-I356 PolarHBondContact O-N 3.03Å; I354-F357 PolarHBondContact O-N 3.23Å; I354-R358 WeakPolarHBondContact O-CB 3.48Å; I354-R358 PolarHBondContact O-N 2.94Å; I354-I401 HydrophobicContact CD1-CG1 4.5Å; I354-I401 HydrophobicContact CD1-CG2 4.22Å; I354-I404 HydrophobicContact CD1-CB 4.17Å; I354-I404 HydrophobicContact CD1-CG2 3.77Å; I354-I404 HydrophobicContact CG1-CG2 3.97Å; I354-V411 HydrophobicContact CB-CB 4.46Å; I354-V411 HydrophobicContact CD1-CG2 4.3Å; I354-V411 HydrophobicContact CG1-CB 4.01Å; I354-V411 HydrophobicContact CG1-CG1 4.37Å; I354-V411 HydrophobicContact CG1-CG2 3.77Å; I354-S414 WeakPolarHBondContact CG2-OG 3.46Å; I354-I415 HydrophobicContact CG2-CB 3.73Å; I354-I415 HydrophobicContact CG2-CD1 4.24Å; I354-I415 HydrophobicContact CG2-CG1 4.13Å; I354-I415 HydrophobicContact CG2-CG2 4.32Å
355K93.1Very high90.9Very high79 Ų7952.1 Ų52.134%0.34325%0.247SC..Hα-helixtrans-60.7-39.3173.1-70.4170.7-169.41620112.2E351 E352 L353 K359E351-K355 WeakPolarHBondContact O-CG 3.5Å; E351-K355 PolarHBondContact O-N 3.02Å; E351-K355 VanDerWaalsContact O-N 3.1Å; E351-K355 VanDerWaalsContact OE1-CE 3.31Å; E351-K355 WeakPolarHBondContact OE1-CE 3.28Å; E351-K355 IonicContact OE1-NZ 2.84Å; E351-K355 PolarHBondContact OE1-NZ 3.04Å; E352-K355 WeakPolarHBondContact O-CB 3.02Å; E352-K355 PolarHBondContact O-N 2.66Å; E352-K355 IonicContact OE1-NZ 3.17Å; E352-K355 PolarHBondContact OE1-NZ 3.22Å; L353-K355 VanDerWaalsContact C-N 3.32Å; L353-K355 PolarHBondContact O-N 2.59Å; K355-K359 WeakPolarHBondContact O-CG 3.36Å; K355-K359 PolarHBondContact O-N 3.13Å
356I93.1Very high90Very high54 Ų5454.6 Ų54.628%0.27727%0.265SS..Hα-helixtrans-69.8-51.6177.3-65.7167.7000110.6M320 V323 E352 L353 I354 R358 K359 E360M320-I356 HydrophobicContact CE-CD1 3.51Å; V323-I356 HydrophobicContact CG1-CB 4.44Å; V323-I356 HydrophobicContact CG1-CD1 4.2Å; V323-I356 HydrophobicContact CG1-CG2 3.72Å; E352-I356 WeakPolarHBondContact O-CG1 3.19Å; E352-I356 PolarHBondContact O-N 3.07Å; L353-I356 PolarHBondContact O-N 3.16Å; I354-I356 VanDerWaalsContact C-N 3.31Å; I354-I356 PolarHBondContact O-N 3.03Å; I356-R358 VanDerWaalsContact C-N 3.26Å; I356-R358 PolarHBondContact O-N 3.37Å; I356-K359 PolarHBondContact O-N 3.28Å; I356-K359 VanDerWaalsContact O-N 3.09Å; I356-E360 PolarHBondContact O-N 2.93Å
357F94.5Very high88.5Confident1 Ų156.2 Ų56.20%0.00428%0.275CS..Hα-helixtrans-63.4-31.9179.4-66.4-35.9000112.6V323 I326 L338 T341 L353 I354 E360 L361 L397 T400 I401 I404V323-F357 HydrophobicContact CG1-CE1 4.25Å; I326-F357 HydrophobicContact CD1-CD1 4.32Å; I326-F357 HydrophobicContact CD1-CE1 3.94Å; L338-F357 HydrophobicContact CD2-CD1 4.39Å; L338-F357 HydrophobicContact CD2-CE1 3.66Å; L338-F357 HydrophobicContact CD2-CZ 3.84Å; T341-F357 HydrophobicContact CG2-CE2 4.35Å; T341-F357 HydrophobicContact CG2-CZ 3.85Å; L353-F357 HydrophobicContact CB-CD2 4.45Å; L353-F357 HydrophobicContact CB-CE2 4.28Å; L353-F357 WeakPolarHBondContact O-CB 3.22Å; L353-F357 WeakPolarHBondContact O-CD2 3.24Å; L353-F357 WeakPolarHBondContact O-CG 3.34Å; L353-F357 PolarHBondContact O-N 3.23Å; I354-F357 PolarHBondContact O-N 3.23Å; F357-E360 PolarHBondContact O-N 3.06Å; F357-L361 WeakPolarHBondContact O-CB 3.35Å; F357-L361 PolarHBondContact O-N 3.2Å; F357-L397 HydrophobicContact CD1-CD2 4.27Å; F357-T400 HydrophobicContact CE2-CG2 4.13Å; F357-T400 HydrophobicContact CZ-CG2 4.44Å; F357-I401 HydrophobicContact CB-CD1 3.98Å; F357-I401 HydrophobicContact CB-CG1 3.8Å; F357-I401 HydrophobicContact CD2-CG1 4.48Å; F357-I401 HydrophobicContact CG-CG1 4.48Å; F357-I404 HydrophobicContact CD2-CD1 4.02Å; F357-I404 HydrophobicContact CE2-CD1 3.6Å
358R94Very high86.4Confident96 Ų9658.8 Ų58.836%0.36228%0.278SS..Hα-helixtrans-58.1-50.6170.4-176.8-176.7169.8171.2-4.1111.5I354 I356 E360 L361 I362 S414 I415 T418I354-R358 WeakPolarHBondContact O-CB 3.48Å; I354-R358 PolarHBondContact O-N 2.94Å; I356-R358 VanDerWaalsContact C-N 3.26Å; I356-R358 PolarHBondContact O-N 3.37Å; R358-E360 VanDerWaalsContact C-N 3.33Å; R358-L361 PolarHBondContact O-N 3.31Å; R358-I362 HydrophobicContact CG-CD1 4.17Å; R358-I362 VanDerWaalsContact O-CG1 3.3Å; R358-I362 WeakPolarHBondContact O-CG1 3.24Å; R358-I362 PolarHBondContact O-N 3.09Å; R358-S414 PolarHBondContact NH1-O 3.41Å; R358-I415 HydrophobicContact CB-CD1 3.79Å; R358-I415 HydrophobicContact CG-CD1 3.99Å; R358-T418 WeakPolarHBondContact CD-OG1 3.4Å; R358-T418 HydrophobicContact CG-CG2 3.92Å; R358-T418 VanDerWaalsContact CZ-OG1 3.31Å; R358-T418 PolarHBondContact NE-OG1 3.15Å
359K92Very high84Confident159 Ų15953.2 Ų53.269%0.69127%0.267SS*.Hα-helixtrans-63.5-42.4179-71.7176.1-178.21770111.3K355 I356 I362 K363K355-K359 WeakPolarHBondContact O-CG 3.36Å; K355-K359 PolarHBondContact O-N 3.13Å; I356-K359 PolarHBondContact O-N 3.28Å; I356-K359 VanDerWaalsContact O-N 3.09Å; K359-I362 PolarHBondContact O-N 3.17Å; K359-K363 WeakPolarHBondContact O-CB 3.48Å; K359-K363 PolarHBondContact O-N 3.13Å
360E90.9Very high81.1Confident16 Ų1662.9 Ų62.98%0.07530%0.3CS..Hα-helixtrans-69.5-36.9-179-171.858.4-162.700112.1I356 F357 R358 K363 A364 Y393 L397I356-E360 PolarHBondContact O-N 2.93Å; F357-E360 PolarHBondContact O-N 3.06Å; R358-E360 VanDerWaalsContact C-N 3.33Å; E360-K363 PolarHBondContact O-N 2.92Å; E360-K363 IonicContact OE1-NZ 2.74Å; E360-K363 WeakPolarHBondContact OE2-CD 3.32Å; E360-K363 IonicContact OE2-NZ 3.31Å; E360-A364 WeakPolarHBondContact O-CB 3.34Å; E360-A364 PolarHBondContact O-N 3.29Å; E360-Y393 HydrophobicContact CG-CE1 4.42Å; E360-Y393 WeakPolarHBondContact CG-OH 3.49Å; E360-Y393 PolarHBondContact OE1-OH 2.98Å; E360-L397 HydrophobicContact CG-CD1 4.3Å; E360-L397 HydrophobicContact CG-CD2 4.45Å
361L90.6Very high78.4Confident1 Ų168.3 Ų68.31%0.00534%0.335CS..Hα-helixtrans-62.5-50.2172.3-17962.9000110.8F357 R358 K363 A364 C365 L397 V398 I401 I419 I422F357-L361 WeakPolarHBondContact O-CB 3.35Å; F357-L361 PolarHBondContact O-N 3.2Å; R358-L361 PolarHBondContact O-N 3.31Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 2.91Å; L361-A364 PolarHBondContact O-N 2.8Å; L361-C365 WeakPolarHBondContact O-CB 3.28Å; L361-C365 PolarHBondContact O-N 3.47Å; L361-C365 PolarHBondContact O-SG 2.88Å; L361-L397 HydrophobicContact CD1-CB 4.3Å; L361-V398 HydrophobicContact CD1-CG2 3.87Å; L361-V398 HydrophobicContact CD2-CG2 4.37Å; L361-I401 HydrophobicContact CB-CD1 4.37Å; L361-I401 HydrophobicContact CD2-CD1 3.8Å; L361-I419 HydrophobicContact CD2-CD1 3.76Å; L361-I422 HydrophobicContact CD2-CD1 4.23Å; L361-I422 HydrophobicContact CD2-CG2 4.32Å; L361-I422 HydrophobicContact CG-CG2 4.29Å
362I89.5Confident75.2Confident56 Ų5668.5 Ų68.529%0.28735%0.348SS..Hα-helixtrans-58.4-42.2176.7-66.2164.8000110.8R358 K359 C365 S366 T418R358-I362 HydrophobicContact CG-CD1 4.17Å; R358-I362 VanDerWaalsContact O-CG1 3.3Å; R358-I362 WeakPolarHBondContact O-CG1 3.24Å; R358-I362 PolarHBondContact O-N 3.09Å; K359-I362 PolarHBondContact O-N 3.17Å; I362-C365 PolarHBondContact O-N 2.8Å; I362-S366 WeakPolarHBondContact O-CB 3.39Å; I362-S366 PolarHBondContact O-N 2.72Å; I362-S366 PolarHBondContact O-OG 3.21Å; I362-T418 HydrophobicContact CD1-CG2 3.9Å; I362-T418 HydrophobicContact CG1-CG2 3.78Å
363K88.3Confident72.1Confident96 Ų9668.5 Ų68.542%0.41736%0.363SS..Hα-helixtrans-60.7-49.5175.9-177.6-173.8168.1-158.50111.4K359 E360 L361 C365 S366 T367K359-K363 WeakPolarHBondContact O-CB 3.48Å; K359-K363 PolarHBondContact O-N 3.13Å; E360-K363 PolarHBondContact O-N 2.92Å; E360-K363 IonicContact OE1-NZ 2.74Å; E360-K363 WeakPolarHBondContact OE2-CD 3.32Å; E360-K363 IonicContact OE2-NZ 3.31Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 2.91Å; K363-C365 PolarHBondContact O-N 2.68Å; K363-S366 WeakPolarHBondContact CA-OG 3.38Å; K363-S366 PolarHBondContact O-N 2.86Å; K363-S366 VanDerWaalsContact O-N 3.16Å; K363-S366 PolarHBondContact O-OG 3.01Å; K363-T367 WeakPolarHBondContact O-CG2 3.45Å; K363-T367 PolarHBondContact O-N 2.85Å; K363-T367 PolarHBondContact O-OG1 3.13Å
364A84.6Confident68.9Low11 Ų1174.6 Ų74.69%0.09140%0.403CS..Hα-helixtrans-62.7-24.117900000113.5E360 L361 T367 Y393 R394 L397E360-A364 WeakPolarHBondContact O-CB 3.34Å; E360-A364 PolarHBondContact O-N 3.29Å; L361-A364 PolarHBondContact O-N 2.8Å; A364-T367 PolarHBondContact O-OG1 3.07Å; A364-Y393 HydrophobicContact CB-CD1 4.04Å; A364-Y393 HydrophobicContact CB-CE1 4.03Å; A364-R394 HydrophobicContact CB-CG 4.26Å; A364-R394 VanDerWaalsContact O-CZ 3.25Å; A364-R394 PolarHBondContact O-NE 3.29Å; A364-R394 PolarHBondContact O-NH2 2.85Å; A364-L397 HydrophobicContact CB-CD1 4.21Å
365C82.6Confident65.8Low2 Ų278.9 Ų78.91%0.01444%0.438CS..Hα-helixtrans-93-20.4177.3-60.40000113.9L361 I362 K363 Y425 I428L361-C365 WeakPolarHBondContact O-CB 3.28Å; L361-C365 PolarHBondContact O-N 3.47Å; L361-C365 PolarHBondContact O-SG 2.88Å; I362-C365 PolarHBondContact O-N 2.8Å; K363-C365 PolarHBondContact O-N 2.68Å; C365-Y425 HydrophobicContact CB-CD1 4.22Å; C365-Y425 HydrophobicContact CB-CE1 4.38Å; C365-Y425 WeakPolarHBondContact O-CD1 3.17Å; C365-I428 HydrophobicContact CB-CD1 3.79Å; C365-I428 WeakPolarHBondContact SG-CD1 3.48Å
366S71.4Confident62.7Low64 Ų6479.7 Ų79.745%0.44845%0.453SS..Hα-helixtrans-100.7-15.3-17762.90000113.6I362 K363 N368I362-S366 WeakPolarHBondContact O-CB 3.39Å; I362-S366 PolarHBondContact O-N 2.72Å; I362-S366 PolarHBondContact O-OG 3.21Å; K363-S366 WeakPolarHBondContact CA-OG 3.38Å; K363-S366 PolarHBondContact O-N 2.86Å; K363-S366 VanDerWaalsContact O-N 3.16Å; K363-S366 PolarHBondContact O-OG 3.01Å; S366-N368 VanDerWaalsContact C-N 3.29Å; S366-N368 PolarHBondContact O-N 3.39Å
367T59.8Low59.6Low54 Ų5483.9 Ų83.933%0.33148%0.476SS..  trans-63.393.8173.436.90000109.5K363 A364 T369K363-T367 WeakPolarHBondContact O-CG2 3.45Å; K363-T367 PolarHBondContact O-N 2.85Å; K363-T367 PolarHBondContact O-OG1 3.13Å; A364-T367 PolarHBondContact O-OG1 3.07Å; T367-T369 PolarHBondContact O-N 2.74Å; T367-T369 PolarHBondContact O-OG1 2.79Å
368N45.4Very low56.3Low132 Ų13288 Ų8871%0.70652%0.519SS*.  trans-74.362.4172.3-147.8-6.5000107.8S366 R370S366-N368 VanDerWaalsContact C-N 3.29Å; S366-N368 PolarHBondContact O-N 3.39Å; N368-R370 VanDerWaalsContact C-N 3.28Å; N368-R370 PolarHBondContact O-N 3.37Å
369T40.3Very low53.1Low83 Ų8391.9 Ų91.951%0.50954%0.541SS..  trans-60.1100.6169.48.40000105T367 P371 E390T367-T369 PolarHBondContact O-N 2.74Å; T367-T369 PolarHBondContact O-OG1 2.79Å; T369-P371 VanDerWaalsContact O-N 3.1Å; T369-E390 PolarHBondContact OG1-OE2 2.82Å
370R29.1Very low50.1Low226 Ų22693.6 Ų93.685%0.85355%0.549SS*.  trans-39.7123.3173.3-66171.1-151.6-1785.7106.4N368 S372N368-R370 VanDerWaalsContact C-N 3.28Å; N368-R370 PolarHBondContact O-N 3.37Å; R370-S372 PolarHBondContact O-N 3.16Å
371P34Very low47.2Very low114 Ų11498 Ų9874%0.7458%0.581SS**  trans-52116.9168.119.8-28.2000104.9T369 A373T369-P371 VanDerWaalsContact O-N 3.1Å; P371-A373 PolarHBondContact O-N 2.8Å; P371-A373 VanDerWaalsContact O-N 3.17Å
372S27.8Very low44.7Very low109 Ų109103 Ų10376%0.76262%0.616SS**  trans-40.6128.4169.438.60000106.7R370R370-S372 PolarHBondContact O-N 3.16Å
373A25.7Very low42.2Very low85 Ų85102.9 Ų102.970%0.70263%0.629SS**SBendtrans-29.9131.3-174.500000111.2P371 A375P371-A373 PolarHBondContact O-N 2.8Å; P371-A373 VanDerWaalsContact O-N 3.17Å; A373-A375 PolarHBondContact O-N 3.5Å
374P26.4Very low40Very low129 Ų129104.9 Ų104.984%0.83864%0.644SS**  trans-50108.5-174.120.5-31.4000107.9S376P374-S376 PolarHBondContact O-N 2.82Å; P374-S376 VanDerWaalsContact O-N 3.11Å
375A29Very low38.4Very low89 Ų89110.1 Ų110.174%0.73667%0.671SS**  trans-56.2123.4167.400000104.6A373 D377A373-A375 PolarHBondContact O-N 3.5Å; A375-D377 PolarHBondContact O-N 3.46Å
376S26.9Very low36.9Very low96 Ų96114.5 Ų114.567%0.67169%0.691SS**SBendtrans-38.1137.9163.943.70000109.8P374P374-S376 PolarHBondContact O-N 2.82Å; P374-S376 VanDerWaalsContact O-N 3.11Å
377D28.3Very low36.3Very low142 Ų142114.9 Ų114.976%0.75969%0.688SS**SBendtrans93.577.2169.4-46.7-34.3000116.2A375 E379A375-D377 PolarHBondContact O-N 3.46Å; D377-E379 PolarHBondContact O-N 3.11Å
378G25.3Very low37Very low87 Ų87114.6 Ų114.690%0.89769%0.688SS**  57.8-5.4114.500000122.4K380G378-K380 PolarHBondContact O-N 2.78Å
379E28.4Very low38.5Very low179 Ų179113.7 Ų113.784%0.83668%0.683SS**  trans-99.395.7-175.3-68.8-169.816600111.6D377 S381D377-E379 PolarHBondContact O-N 3.11Å; E379-S381 PolarHBondContact O-N 3.19Å; E379-S381 VanDerWaalsContact O-N 3.08Å
380K28.2Very low40.5Very low194 Ų194113.3 Ų113.384%0.84368%0.676SS**  trans15.781.2155.1-63.7-179.5179.9177.70116.1G378 S382G378-K380 PolarHBondContact O-N 2.78Å; K380-S382 PolarHBondContact O-N 3.43Å
381S30.4Very low43.1Very low109 Ų109103.1 Ų103.176%0.76264%0.639SS**THydrogen-bonded Turntrans-74.641.5177.2560000114.8E379E379-S381 PolarHBondContact O-N 3.19Å; E379-S381 VanDerWaalsContact O-N 3.08Å
382S36.8Very low45.5Very low105 Ų105100.1 Ų100.173%0.73462%0.619SS**THydrogen-bonded Turntrans-111.7-6.5177.265.30000114.3K380K380-S382 PolarHBondContact O-N 3.43Å
383G37.8Very low48.4Very low54 Ų5495.1 Ų95.156%0.55758%0.583SS**SBendtrans-92.1-45-176.400000114.8
384D42.6Very low51.4Low138 Ų13891.9 Ų91.974%0.73855%0.553SS**SBendtrans-97-17.7-164.9-86.6-20.8000115.7Q386 N387D384-Q386 PolarHBondContact O-N 2.94Å; D384-Q386 VanDerWaalsContact O-N 3.16Å; D384-N387 PolarHBondContact O-N 3.27Å; D384-N387 VanDerWaalsContact O-N 3.1Å
385D49.4Very low54.5Low121 Ų12188.9 Ų88.965%0.64753%0.527SS*.G310 helixtrans-61.9-28.9-177.7-95.5-8.3000113N387 S388D385-N387 PolarHBondContact O-N 2.79Å; D385-S388 PolarHBondContact O-N 2.88Å; D385-S388 PolarHBondContact O-OG 3.39Å
386Q51.7Low57.4Low94 Ų9485.2 Ų85.244%0.43950%0.496SS..G310 helixtrans-65.7-21.5179.5-68.3-162.218.900113.5D384 S391D384-Q386 PolarHBondContact O-N 2.94Å; D384-Q386 VanDerWaalsContact O-N 3.16Å; Q386-S391 VanDerWaalsContact C-OG 3.27Å; Q386-S391 PolarHBondContact O-OG 2.81Å
387N59.4Low60.5Low73 Ų7380.7 Ų80.739%0.3946%0.464SS..G310 helixtrans-107.413.8-179.5-71.5-20000113.1D384 D385D384-N387 PolarHBondContact O-N 3.27Å; D384-N387 VanDerWaalsContact O-N 3.1Å; D385-N387 PolarHBondContact O-N 2.79Å
388S75Confident63.6Low48 Ų4874 Ų7434%0.33643%0.428SS..SBendtrans-57.9146.5171.260.40000111.3D385 E390 S391 V392D385-S388 PolarHBondContact O-N 2.88Å; D385-S388 PolarHBondContact O-OG 3.39Å; S388-E390 PolarHBondContact O-N 2.95Å; S388-E390 VanDerWaalsContact O-N 3.13Å; S388-S391 PolarHBondContact N-OG 3.09Å; S388-S391 PolarHBondContact O-N 2.79Å; S388-S391 PolarHBondContact O-OG 2.87Å; S388-S391 WeakPolarHBondContact OG-CB 3.36Å; S388-S391 PolarHBondContact OG-N 2.82Å; S388-S391 PolarHBondContact OG-OG 2.92Å; S388-V392 WeakPolarHBondContact O-CG2 3.33Å; S388-V392 PolarHBondContact O-N 3.14Å
389D76.9Confident66.8Low112 Ų11273 Ų7360%0.59940%0.4SS*.Hα-helixtrans-51.8-38.6176.7-83.6-10000112.2M331 Y393M331-D389 WeakPolarHBondContact CE-O 3.16Å; M331-D389 HydrophobicContact CG-CB 3.45Å; M331-D389 VanDerWaalsContact CG-CB 3.45Å; M331-D389 HydrophobicContact SD-CB 4.3Å; D389-Y393 WeakPolarHBondContact O-CB 3.48Å; D389-Y393 PolarHBondContact O-N 3.06Å
390E81.8Confident69.8Low75 Ų7564.8 Ų64.835%0.3536%0.362SS..Hα-helixtrans-68.9-38.2176.5-65.8-171.8167.700113.1T369 S388 Y393 R394T369-E390 PolarHBondContact OG1-OE2 2.82Å; S388-E390 PolarHBondContact O-N 2.95Å; S388-E390 VanDerWaalsContact O-N 3.13Å; E390-Y393 WeakPolarHBondContact O-CB 3.01Å; E390-Y393 PolarHBondContact O-N 2.92Å; E390-R394 WeakPolarHBondContact O-CD 3.24Å; E390-R394 WeakPolarHBondContact O-CG 3.36Å; E390-R394 PolarHBondContact O-N 3.21Å; E390-R394 IonicContact OE2-NH2 3.71Å
391S82.3Confident73Confident12 Ų1255.6 Ų55.68%0.08432%0.322CS..Hα-helixtrans-67.1-39.5176.373.40000111.6Q386 S388 Y393 R394 F395Q386-S391 VanDerWaalsContact C-OG 3.27Å; Q386-S391 PolarHBondContact O-OG 2.81Å; S388-S391 PolarHBondContact N-OG 3.09Å; S388-S391 PolarHBondContact O-N 2.79Å; S388-S391 PolarHBondContact O-OG 2.87Å; S388-S391 WeakPolarHBondContact OG-CB 3.36Å; S388-S391 PolarHBondContact OG-N 2.82Å; S388-S391 PolarHBondContact OG-OG 2.92Å; S391-Y393 VanDerWaalsContact C-N 3.3Å; S391-Y393 PolarHBondContact O-N 2.88Å; S391-R394 PolarHBondContact O-N 2.81Å; S391-F395 WeakPolarHBondContact O-CB 3.25Å; S391-F395 PolarHBondContact O-N 3.22Å
392V85.3Confident76Confident51 Ų5150.5 Ų50.531%0.30929%0.286SS..Hα-helixtrans-64.1-38.7174.6176.30000110.4M331 S388 S396M331-V392 HydrophobicContact CE-CB 4.47Å; M331-V392 HydrophobicContact CE-CG1 4.39Å; S388-V392 WeakPolarHBondContact O-CG2 3.33Å; S388-V392 PolarHBondContact O-N 3.14Å; V392-S396 WeakPolarHBondContact O-CB 3.49Å; V392-S396 PolarHBondContact O-N 2.97Å; V392-S396 PolarHBondContact O-OG 3.3Å
393Y88.7Confident78.5Confident5 Ų546.8 Ų46.82%0.0226%0.258CS..Hα-helixtrans-63.8-50.3174.8-171.8-135.4000112.2I326 M331 R334 L338 E360 A364 D389 E390 S391 F395 S396 L397I326-Y393 HydrophobicContact CD1-CE2 4.12Å; I326-Y393 WeakPolarHBondContact CD1-OH 2.76Å; I326-Y393 HydrophobicContact CG1-CE2 4.12Å; I326-Y393 WeakPolarHBondContact CG1-OH 2.93Å; M331-Y393 VanDerWaalsContact CE-CB 3.4Å; M331-Y393 HydrophobicContact CE-CD2 4.09Å; M331-Y393 HydrophobicContact CE-CG 4.09Å; M331-Y393 HydrophobicContact SD-CD2 4.39Å; M331-Y393 HydrophobicContact SD-CG 4.15Å; R334-Y393 HydrophobicContact CB-CD2 4.22Å; R334-Y393 HydrophobicContact CB-CE2 4.01Å; R334-Y393 HydrophobicContact CG-CE2 4.09Å; L338-Y393 HydrophobicContact CD1-CE2 4.35Å; E360-Y393 HydrophobicContact CG-CE1 4.42Å; E360-Y393 WeakPolarHBondContact CG-OH 3.49Å; E360-Y393 PolarHBondContact OE1-OH 2.98Å; A364-Y393 HydrophobicContact CB-CD1 4.04Å; A364-Y393 HydrophobicContact CB-CE1 4.03Å; D389-Y393 WeakPolarHBondContact O-CB 3.48Å; D389-Y393 PolarHBondContact O-N 3.06Å; E390-Y393 WeakPolarHBondContact O-CB 3.01Å; E390-Y393 PolarHBondContact O-N 2.92Å; S391-Y393 VanDerWaalsContact C-N 3.3Å; S391-Y393 PolarHBondContact O-N 2.88Å; Y393-F395 VanDerWaalsContact C-N 3.3Å; Y393-F395 PolarHBondContact O-N 3.39Å; Y393-S396 PolarHBondContact O-N 2.91Å; Y393-S396 VanDerWaalsContact O-N 3.13Å; Y393-L397 HydrophobicContact CD1-CD1 3.92Å; Y393-L397 HydrophobicContact CD2-CD1 4.31Å; Y393-L397 HydrophobicContact CD2-CG 4.17Å; Y393-L397 HydrophobicContact CE1-CD1 3.53Å; Y393-L397 HydrophobicContact CE1-CG 4.34Å; Y393-L397 HydrophobicContact CE2-CD1 3.92Å; Y393-L397 HydrophobicContact CE2-CD2 4.12Å; Y393-L397 HydrophobicContact CE2-CG 3.81Å; Y393-L397 HydrophobicContact CG-CD1 4.3Å; Y393-L397 WeakPolarHBondContact O-CB 3.3Å; Y393-L397 WeakPolarHBondContact O-CG 3.43Å; Y393-L397 PolarHBondContact O-N 3.01Å
394R89.2Confident81Confident17 Ų1744.2 Ų44.26%0.06423%0.232CC..Hα-helixtrans-57-45.4178.2-70.8164.2-174.7-177.7-0110.6A364 E390 S391 L397 V398 E427 A433A364-R394 HydrophobicContact CB-CG 4.26Å; A364-R394 VanDerWaalsContact O-CZ 3.25Å; A364-R394 PolarHBondContact O-NE 3.29Å; A364-R394 PolarHBondContact O-NH2 2.85Å; E390-R394 WeakPolarHBondContact O-CD 3.24Å; E390-R394 WeakPolarHBondContact O-CG 3.36Å; E390-R394 PolarHBondContact O-N 3.21Å; E390-R394 IonicContact OE2-NH2 3.71Å; S391-R394 PolarHBondContact O-N 2.81Å; R394-L397 PolarHBondContact O-N 3.34Å; R394-V398 VanDerWaalsContact O-CG2 3.32Å; R394-V398 WeakPolarHBondContact O-CG2 3.48Å; R394-V398 PolarHBondContact O-N 3Å; R394-E427 IonicContact CZ-OE2 3.19Å; R394-E427 PolarHBondContact NH1-O 3.33Å; R394-E427 IonicContact NH1-OE2 3.18Å; R394-E427 PolarHBondContact NH1-OE2 3.48Å; R394-E427 IonicContact NH2-OE2 3.29Å; R394-E427 PolarHBondContact NH2-OE2 3.44Å; R394-A433 HydrophobicContact CB-CB 3.98Å
395F90.9Very high83.4Confident65 Ų6537.7 Ų37.729%0.28520%0.197SC..Hα-helixtrans-59.7-49.5174.7171.2-99.6000111.5S391 Y393 L397 V398 H399 R432 A433 E436S391-F395 WeakPolarHBondContact O-CB 3.25Å; S391-F395 PolarHBondContact O-N 3.22Å; Y393-F395 VanDerWaalsContact C-N 3.3Å; Y393-F395 PolarHBondContact O-N 3.39Å; F395-L397 VanDerWaalsContact C-N 3.32Å; F395-L397 PolarHBondContact O-N 2.93Å; F395-V398 PolarHBondContact O-N 3.34Å; F395-H399 VanDerWaalsContact O-CB 3.28Å; F395-H399 WeakPolarHBondContact O-CB 3.35Å; F395-H399 PolarHBondContact O-N 3.14Å; F395-R432 HydrophobicContact CB-CB 4.48Å; F395-R432 HydrophobicContact CD2-CB 4Å; F395-R432 HydrophobicContact CG-CB 4.4Å; F395-A433 HydrophobicContact CB-CB 4.41Å; F395-E436 HydrophobicContact CD2-CB 4.01Å; F395-E436 HydrophobicContact CD2-CG 4.32Å; F395-E436 HydrophobicContact CE2-CB 3.91Å; F395-E436 HydrophobicContact CE2-CG 3.92Å
396S90.3Very high85.2Confident12 Ų1233.7 Ų33.78%0.08418%0.175CC..Hα-helixtrans-62.2-38-179.3-61.40000112.5V392 Y393 T400V392-S396 WeakPolarHBondContact O-CB 3.49Å; V392-S396 PolarHBondContact O-N 2.97Å; V392-S396 PolarHBondContact O-OG 3.3Å; Y393-S396 PolarHBondContact O-N 2.91Å; Y393-S396 VanDerWaalsContact O-N 3.13Å; S396-T400 WeakPolarHBondContact O-CB 3.35Å; S396-T400 PolarHBondContact O-N 2.94Å; S396-T400 PolarHBondContact O-OG1 2.97Å
397L92Very high86.9Confident1 Ų134.3 Ų34.31%0.00517%0.174CC..Hα-helixtrans-64.3-51.3174.1-79.6174.1000111.7I326 L338 F357 E360 L361 A364 Y393 R394 F395 H399 T400 I401I326-L397 HydrophobicContact CD1-CD2 3.83Å; L338-L397 HydrophobicContact CD1-CD2 4.22Å; L338-L397 HydrophobicContact CD1-CG 4.48Å; L338-L397 HydrophobicContact CD2-CD2 4.08Å; F357-L397 HydrophobicContact CD1-CD2 4.27Å; E360-L397 HydrophobicContact CG-CD1 4.3Å; E360-L397 HydrophobicContact CG-CD2 4.45Å; L361-L397 HydrophobicContact CD1-CB 4.3Å; A364-L397 HydrophobicContact CB-CD1 4.21Å; Y393-L397 HydrophobicContact CD1-CD1 3.92Å; Y393-L397 HydrophobicContact CD2-CD1 4.31Å; Y393-L397 HydrophobicContact CD2-CG 4.17Å; Y393-L397 HydrophobicContact CE1-CD1 3.53Å; Y393-L397 HydrophobicContact CE1-CG 4.34Å; Y393-L397 HydrophobicContact CE2-CD1 3.92Å; Y393-L397 HydrophobicContact CE2-CD2 4.12Å; Y393-L397 HydrophobicContact CE2-CG 3.81Å; Y393-L397 HydrophobicContact CG-CD1 4.3Å; Y393-L397 WeakPolarHBondContact O-CB 3.3Å; Y393-L397 WeakPolarHBondContact O-CG 3.43Å; Y393-L397 PolarHBondContact O-N 3.01Å; R394-L397 PolarHBondContact O-N 3.34Å; F395-L397 VanDerWaalsContact C-N 3.32Å; F395-L397 PolarHBondContact O-N 2.93Å; L397-H399 VanDerWaalsContact C-N 3.31Å; L397-H399 PolarHBondContact O-N 3.23Å; L397-T400 PolarHBondContact O-N 3.18Å; L397-I401 WeakPolarHBondContact O-CB 3.48Å; L397-I401 VanDerWaalsContact O-CG1 3.28Å; L397-I401 WeakPolarHBondContact O-CG1 3.07Å; L397-I401 PolarHBondContact O-N 3.34Å
398V92.9Very high88.5Confident1 Ų133 Ų331%0.00616%0.164CC..Hα-helixtrans-60.2-43.6178.6172.20000110.5L361 R394 F395 I401 Y402 I422 A433 E436 A437L361-V398 HydrophobicContact CD1-CG2 3.87Å; L361-V398 HydrophobicContact CD2-CG2 4.37Å; R394-V398 VanDerWaalsContact O-CG2 3.32Å; R394-V398 WeakPolarHBondContact O-CG2 3.48Å; R394-V398 PolarHBondContact O-N 3Å; F395-V398 PolarHBondContact O-N 3.34Å; V398-I401 PolarHBondContact O-N 3.34Å; V398-Y402 WeakPolarHBondContact O-CB 3.44Å; V398-Y402 PolarHBondContact O-N 3.1Å; V398-I422 HydrophobicContact CG2-CD1 4.15Å; V398-A433 HydrophobicContact CG2-CB 4.48Å; V398-E436 HydrophobicContact CG1-CB 4.12Å; V398-E436 HydrophobicContact CG1-CG 4.11Å; V398-A437 HydrophobicContact CG1-CB 4.15Å
399H92.3Very high89.2Confident66 Ų6632.7 Ų32.731%0.30616%0.161SC..Hα-helixtrans-63.7-42.1177.4-171.671.8000112.4F395 L397 Y402 D403 E436F395-H399 VanDerWaalsContact O-CB 3.28Å; F395-H399 WeakPolarHBondContact O-CB 3.35Å; F395-H399 PolarHBondContact O-N 3.14Å; L397-H399 VanDerWaalsContact C-N 3.31Å; L397-H399 PolarHBondContact O-N 3.23Å; H399-Y402 WeakPolarHBondContact O-CB 3.48Å; H399-Y402 PolarHBondContact O-N 3.03Å; H399-D403 IonicContact CD2-OD2 3.93Å; H399-D403 IonicContact CE1-OD2 3.71Å; H399-D403 IonicContact NE2-OD2 2.74Å; H399-D403 PolarHBondContact O-N 3.43Å; H399-E436 HydrophobicContact CB-CG 4.42Å; H399-E436 IonicContact CE1-OE1 3.06Å; H399-E436 IonicContact CG-OE1 2.83Å; H399-E436 IonicContact ND1-OE1 3.92Å; H399-E436 PolarHBondContact ND1-OE1 2.75Å
400T92.6Very high89.8Confident8 Ų835.1 Ų35.15%0.04917%0.169CC..Hα-helixtrans-65.6-44176.4-56.70000111.5L338 M342 F357 S396 L397 Y402 D403 I404L338-T400 HydrophobicContact CD2-CG2 4.11Å; M342-T400 HydrophobicContact CB-CG2 4.43Å; M342-T400 HydrophobicContact SD-CG2 4.36Å; F357-T400 HydrophobicContact CE2-CG2 4.13Å; F357-T400 HydrophobicContact CZ-CG2 4.44Å; S396-T400 WeakPolarHBondContact O-CB 3.35Å; S396-T400 PolarHBondContact O-N 2.94Å; S396-T400 PolarHBondContact O-OG1 2.97Å; L397-T400 PolarHBondContact O-N 3.18Å; T400-Y402 VanDerWaalsContact C-N 3.31Å; T400-Y402 PolarHBondContact O-N 3.34Å; T400-D403 PolarHBondContact O-N 3.34Å; T400-I404 HydrophobicContact CG2-CD1 3.89Å; T400-I404 VanDerWaalsContact O-CG1 3.24Å; T400-I404 WeakPolarHBondContact O-CG1 3.49Å; T400-I404 PolarHBondContact O-N 3.21Å
401I94.3Very high90.3Very high0 Ų032 Ų320%016%0.155CC..Hα-helixtrans-59-47.3175.4-73.6164.4000110.2I354 F357 L361 L397 V398 I404 C405 I415I354-I401 HydrophobicContact CD1-CG1 4.5Å; I354-I401 HydrophobicContact CD1-CG2 4.22Å; F357-I401 HydrophobicContact CB-CD1 3.98Å; F357-I401 HydrophobicContact CB-CG1 3.8Å; F357-I401 HydrophobicContact CD2-CG1 4.48Å; F357-I401 HydrophobicContact CG-CG1 4.48Å; L361-I401 HydrophobicContact CB-CD1 4.37Å; L361-I401 HydrophobicContact CD2-CD1 3.8Å; L397-I401 WeakPolarHBondContact O-CB 3.48Å; L397-I401 VanDerWaalsContact O-CG1 3.28Å; L397-I401 WeakPolarHBondContact O-CG1 3.07Å; L397-I401 PolarHBondContact O-N 3.34Å; V398-I401 PolarHBondContact O-N 3.34Å; I401-I404 PolarHBondContact O-N 3.1Å; I401-C405 WeakPolarHBondContact O-CB 3.43Å; I401-C405 PolarHBondContact O-N 2.84Å; I401-C405 PolarHBondContact O-SG 3.34Å; I401-I415 HydrophobicContact CD1-CD1 4.39Å; I401-I415 HydrophobicContact CG2-CD1 4.27Å; I401-I415 HydrophobicContact CG2-CG1 3.57Å
402Y92.9Very high90.6Very high3 Ų331.5 Ų31.51%0.01215%0.152CC..Hα-helixtrans-54.7-54.7178.3171.7-159.4000111.2V398 H399 T400 I404 C405 L406 E436 F440 E443 R702V398-Y402 WeakPolarHBondContact O-CB 3.44Å; V398-Y402 PolarHBondContact O-N 3.1Å; H399-Y402 WeakPolarHBondContact O-CB 3.48Å; H399-Y402 PolarHBondContact O-N 3.03Å; T400-Y402 VanDerWaalsContact C-N 3.31Å; T400-Y402 PolarHBondContact O-N 3.34Å; Y402-I404 VanDerWaalsContact C-N 3.32Å; Y402-I404 PolarHBondContact O-N 3.41Å; Y402-C405 PolarHBondContact O-N 3.32Å; Y402-C405 VanDerWaalsContact O-N 3.16Å; Y402-L406 HydrophobicContact CD2-CD1 3.7Å; Y402-L406 HydrophobicContact CD2-CD2 4.5Å; Y402-L406 HydrophobicContact CD2-CG 3.77Å; Y402-L406 HydrophobicContact CE2-CD1 3.32Å; Y402-L406 HydrophobicContact CE2-CD2 4.01Å; Y402-L406 HydrophobicContact CE2-CG 3.62Å; Y402-L406 PolarHBondContact O-N 2.87Å; Y402-E436 WeakPolarHBondContact CD1-OE1 3.39Å; Y402-F440 HydrophobicContact CD1-CB 4.41Å; Y402-F440 HydrophobicContact CD2-CB 3.95Å; Y402-F440 AromaticContact CD2-CD2 3.04Å; Y402-F440 HydrophobicContact CD2-CD2 3.04Å; Y402-F440 AromaticContact CD2-CE2 3.67Å; Y402-F440 HydrophobicContact CD2-CE2 3.67Å; Y402-F440 AromaticContact CD2-CG 3.79Å; Y402-F440 HydrophobicContact CD2-CG 3.79Å; Y402-F440 HydrophobicContact CE2-CB 4.15Å; Y402-F440 AromaticContact CE2-CD2 3.49Å; Y402-F440 HydrophobicContact CE2-CD2 3.49Å; Y402-F440 VanDerWaalsContact CE2-CD2 3.49Å; Y402-F440 HydrophobicContact CE2-CE2 4.32Å; Y402-F440 HydrophobicContact CE2-CG 4.27Å; Y402-F440 HydrophobicContact CG-CB 4.02Å; Y402-F440 AromaticContact CG-CD2 3.79Å; Y402-F440 HydrophobicContact CG-CD2 3.79Å; Y402-F440 HydrophobicContact CG-CE2 4.49Å; Y402-F440 HydrophobicContact CG-CG 4.12Å; Y402-E443 HydrophobicContact CE2-CB 4.4Å; Y402-E443 WeakPolarHBondContact OH-CB 3.22Å; Y402-E443 PolarHBondContact OH-OE2 3.41Å; Y402-R702 PolarHBondContact OH-NH2 3.11Å; Y402-R702 VanDerWaalsContact OH-NH2 3.12Å
403D89.9Confident90.9Very high26 Ų2631.4 Ų31.414%0.13915%0.152CC..Hα-helixtrans-67.3-31.9-177.8-70.9-23.6000113.1M342 H399 T400 R407 R702M342-D403 HydrophobicContact CE-CB 3.19Å; M342-D403 HydrophobicContact SD-CB 3.85Å; H399-D403 IonicContact CD2-OD2 3.93Å; H399-D403 IonicContact CE1-OD2 3.71Å; H399-D403 IonicContact NE2-OD2 2.74Å; H399-D403 PolarHBondContact O-N 3.43Å; T400-D403 PolarHBondContact O-N 3.34Å; D403-R407 WeakPolarHBondContact O-CG 3.45Å; D403-R407 PolarHBondContact O-N 3.08Å; D403-R702 IonicContact OD1-NE 3.73Å
404I91.6Very high90.9Very high0 Ų032.8 Ų32.80%016%0.162CC..Hα-helixtrans-64.4-45.3172.4-69.2170.7000110.3M342 V345 A350 I354 F357 T400 I401 Y402 L406 R407 F408M342-I404 HydrophobicContact SD-CG1 3.9Å; V345-I404 HydrophobicContact CG1-CG1 4.35Å; V345-I404 HydrophobicContact CG2-CG2 4.46Å; A350-I404 HydrophobicContact CB-CG2 4.5Å; I354-I404 HydrophobicContact CD1-CB 4.17Å; I354-I404 HydrophobicContact CD1-CG2 3.77Å; I354-I404 HydrophobicContact CG1-CG2 3.97Å; F357-I404 HydrophobicContact CD2-CD1 4.02Å; F357-I404 HydrophobicContact CE2-CD1 3.6Å; T400-I404 HydrophobicContact CG2-CD1 3.89Å; T400-I404 VanDerWaalsContact O-CG1 3.24Å; T400-I404 WeakPolarHBondContact O-CG1 3.49Å; T400-I404 PolarHBondContact O-N 3.21Å; I401-I404 PolarHBondContact O-N 3.1Å; Y402-I404 VanDerWaalsContact C-N 3.32Å; Y402-I404 PolarHBondContact O-N 3.41Å; I404-L406 VanDerWaalsContact C-N 3.33Å; I404-L406 PolarHBondContact O-N 2.94Å; I404-R407 PolarHBondContact O-N 2.76Å; I404-F408 HydrophobicContact CG2-CD2 4.21Å; I404-F408 WeakPolarHBondContact O-CD2 3.24Å; I404-F408 PolarHBondContact O-N 3.19Å
405C91.5Very high91.1Very high1 Ų132 Ų321%0.00716%0.159CC..Hα-helixtrans-65.3-35.8-179.9-67.90000112.7I401 Y402 R407 F408 P409 V411 L412 I415 F440I401-C405 WeakPolarHBondContact O-CB 3.43Å; I401-C405 PolarHBondContact O-N 2.84Å; I401-C405 PolarHBondContact O-SG 3.34Å; Y402-C405 PolarHBondContact O-N 3.32Å; Y402-C405 VanDerWaalsContact O-N 3.16Å; C405-R407 VanDerWaalsContact C-N 3.33Å; C405-F408 CarbonylContact O-C 3.57Å; C405-F408 VanDerWaalsContact O-C 3.28Å; C405-F408 PolarHBondContact O-N 3.37Å; C405-P409 WeakPolarHBondContact O-CA 3.1Å; C405-V411 HydrophobicContact CB-CG2 4.37Å; C405-L412 HydrophobicContact CB-CD2 3.68Å; C405-L412 HydrophobicContact CB-CG 4.35Å; C405-I415 VanDerWaalsContact SG-CG2 3.59Å; C405-F440 HydrophobicContact CB-CE2 3.73Å; C405-F440 HydrophobicContact CB-CZ 3.7Å
406L87.9Confident91.2Very high37 Ų3729.5 Ų29.519%0.19415%0.149CC..Hα-helixtrans-65.4-37.3174.1-74.1179.4000112.3Y402 I404 E443Y402-L406 HydrophobicContact CD2-CD1 3.7Å; Y402-L406 HydrophobicContact CD2-CD2 4.5Å; Y402-L406 HydrophobicContact CD2-CG 3.77Å; Y402-L406 HydrophobicContact CE2-CD1 3.32Å; Y402-L406 HydrophobicContact CE2-CD2 4.01Å; Y402-L406 HydrophobicContact CE2-CG 3.62Å; Y402-L406 PolarHBondContact O-N 2.87Å; I404-L406 VanDerWaalsContact C-N 3.33Å; I404-L406 PolarHBondContact O-N 2.94Å; L406-E443 HydrophobicContact CD2-CG 4.22Å
407R88.2Confident91.3Very high108 Ų10830.6 Ų30.641%0.40816%0.156SC..Hα-helixtrans-76.5-32.5176.6-71.6-170.6-66.8172.36.2113.1M342 D403 I404 C405M342-R407 PolarHBondContact O-NH1 3.49Å; M342-R407 PolarHBondContact O-NH2 2.91Å; M342-R407 PolarHBondContact SD-NH2 2.83Å; D403-R407 WeakPolarHBondContact O-CG 3.45Å; D403-R407 PolarHBondContact O-N 3.08Å; I404-R407 PolarHBondContact O-N 2.76Å; C405-R407 VanDerWaalsContact C-N 3.33Å
408F91.8Very high91.3Very high45 Ų4530.6 Ų30.620%0.19716%0.156CC..  trans-130.182.2-177.5-53.2-72000111V345 A347 A350 I404 C405 E410 V411V345-F408 HydrophobicContact CB-CE2 4.49Å; V345-F408 HydrophobicContact CG1-CE2 4.02Å; V345-F408 HydrophobicContact CG2-CD2 4.29Å; V345-F408 HydrophobicContact CG2-CE2 3.77Å; A347-F408 HydrophobicContact CB-CD1 3.96Å; A347-F408 HydrophobicContact CB-CE1 3.78Å; A350-F408 HydrophobicContact CB-CB 4.06Å; A350-F408 HydrophobicContact CB-CD2 3.78Å; A350-F408 HydrophobicContact CB-CE2 4.41Å; A350-F408 HydrophobicContact CB-CG 3.89Å; I404-F408 HydrophobicContact CG2-CD2 4.21Å; I404-F408 WeakPolarHBondContact O-CD2 3.24Å; I404-F408 PolarHBondContact O-N 3.19Å; C405-F408 CarbonylContact O-C 3.57Å; C405-F408 VanDerWaalsContact O-C 3.28Å; C405-F408 PolarHBondContact O-N 3.37Å; F408-E410 PolarHBondContact O-N 2.94Å; F408-V411 WeakPolarHBondContact O-CG2 3.32Å; F408-V411 PolarHBondContact O-N 3.32Å
409P89.2Confident91.4Very high41 Ų4130.6 Ų30.627%0.26616%0.156SC..G310 helixtrans-61.6-19.3-173.9-27.137.8000115.3C405 V411 L412 F448C405-P409 WeakPolarHBondContact O-CA 3.1Å; P409-V411 PolarHBondContact O-N 2.86Å; P409-L412 HydrophobicContact CB-CD1 4.09Å; P409-L412 VanDerWaalsContact O-CB 3.31Å; P409-L412 WeakPolarHBondContact O-CB 3.38Å; P409-L412 WeakPolarHBondContact O-CD1 3.48Å; P409-L412 VanDerWaalsContact O-CG 3.31Å; P409-L412 WeakPolarHBondContact O-CG 3.46Å; P409-L412 PolarHBondContact O-N 3.45Å; P409-F448 HydrophobicContact CB-CD1 4.39Å; P409-F448 HydrophobicContact CB-CE1 3.5Å; P409-F448 VanDerWaalsContact CB-CE1 3.5Å; P409-F448 HydrophobicContact CB-CE2 4.38Å; P409-F448 HydrophobicContact CB-CZ 3.5Å; P409-F448 VanDerWaalsContact CB-CZ 3.5Å; P409-F448 HydrophobicContact CG-CE1 3.69Å; P409-F448 HydrophobicContact CG-CZ 3.44Å; P409-F448 VanDerWaalsContact CG-CZ 3.44Å
410E90.1Very high91.4Very high164 Ų16427.4 Ų27.477%0.76614%0.142SC*.G310 helixtrans-62.5-24.4179.9-52.6-57.2170.100113.2F408 P413F408-E410 PolarHBondContact O-N 2.94Å; E410-P413 WeakPolarHBondContact O-CD 3.09Å
411V91.6Very high91.3Very high10 Ų1030.4 Ų30.46%0.06116%0.155CC..G310 helixtrans-82.9-13.4-179.3-520000113.3A350 E351 I354 C405 F408 P409 P413 S414A350-V411 HydrophobicContact CB-CG1 4.02Å; E351-V411 HydrophobicContact CB-CG1 4.48Å; I354-V411 HydrophobicContact CB-CB 4.46Å; I354-V411 HydrophobicContact CD1-CG2 4.3Å; I354-V411 HydrophobicContact CG1-CB 4.01Å; I354-V411 HydrophobicContact CG1-CG1 4.37Å; I354-V411 HydrophobicContact CG1-CG2 3.77Å; C405-V411 HydrophobicContact CB-CG2 4.37Å; F408-V411 WeakPolarHBondContact O-CG2 3.32Å; F408-V411 PolarHBondContact O-N 3.32Å; P409-V411 PolarHBondContact O-N 2.86Å; V411-P413 VanDerWaalsContact C-CD 3.43Å; V411-S414 WeakPolarHBondContact O-CB 3.39Å; V411-S414 PolarHBondContact O-N 2.86Å; V411-S414 PolarHBondContact O-OG 2.66Å
412L90.3Very high91.1Very high1 Ų130.6 Ų30.61%0.00516%0.156CC..Hα-helixtrans-50.4-46.5-174.7-75.9168.4000114.3C405 P409 S414 I415 V416 F440 I444 F448C405-L412 HydrophobicContact CB-CD2 3.68Å; C405-L412 HydrophobicContact CB-CG 4.35Å; P409-L412 HydrophobicContact CB-CD1 4.09Å; P409-L412 VanDerWaalsContact O-CB 3.31Å; P409-L412 WeakPolarHBondContact O-CB 3.38Å; P409-L412 WeakPolarHBondContact O-CD1 3.48Å; P409-L412 VanDerWaalsContact O-CG 3.31Å; P409-L412 WeakPolarHBondContact O-CG 3.46Å; P409-L412 PolarHBondContact O-N 3.45Å; L412-S414 PolarHBondContact O-N 3.34Å; L412-S414 VanDerWaalsContact O-N 3.13Å; L412-I415 WeakPolarHBondContact O-CG2 3.42Å; L412-I415 PolarHBondContact O-N 3.23Å; L412-I415 VanDerWaalsContact O-N 3.15Å; L412-V416 HydrophobicContact CB-CG2 4.36Å; L412-V416 HydrophobicContact CD2-CG2 4.12Å; L412-V416 VanDerWaalsContact O-CG2 3.26Å; L412-V416 WeakPolarHBondContact O-CG2 3.38Å; L412-V416 PolarHBondContact O-N 2.8Å; L412-F440 HydrophobicContact CD2-CE2 4.1Å; L412-F440 HydrophobicContact CD2-CZ 3.83Å; L412-I444 HydrophobicContact CD1-CG2 4.33Å; L412-I444 HydrophobicContact CD2-CD1 3.71Å; L412-I444 HydrophobicContact CD2-CG1 3.85Å; L412-I444 HydrophobicContact CD2-CG2 4.36Å; L412-F448 HydrophobicContact CD1-CD2 3.66Å; L412-F448 HydrophobicContact CD1-CE2 3.69Å; L412-F448 HydrophobicContact CD1-CG 4.16Å; L412-F448 HydrophobicContact CD1-CZ 4.23Å
413P90.1Very high91Very high48 Ų4830.7 Ų30.731%0.31216%0.156SC..Hα-helixtrans-60.5-28.8-178.1-24.937.3000113.4E410 V411 I415 P417E410-P413 WeakPolarHBondContact O-CD 3.09Å; V411-P413 VanDerWaalsContact C-CD 3.43Å; P413-I415 VanDerWaalsContact C-N 3.31Å; P413-I415 PolarHBondContact O-N 2.92Å; P413-P417 VanDerWaalsContact O-CD 3.27Å; P413-P417 WeakPolarHBondContact O-CD 3.49Å
414S89Confident90.9Very high35 Ų3531.5 Ų31.525%0.24516%0.162CC..Hα-helixtrans-74.9-21.5-176.974.90000113.7I354 R358 V411 L412I354-S414 WeakPolarHBondContact CG2-OG 3.46Å; R358-S414 PolarHBondContact NH1-O 3.41Å; V411-S414 WeakPolarHBondContact O-CB 3.39Å; V411-S414 PolarHBondContact O-N 2.86Å; V411-S414 PolarHBondContact O-OG 2.66Å; L412-S414 PolarHBondContact O-N 3.34Å; L412-S414 VanDerWaalsContact O-N 3.13Å
415I92.9Very high90.7Very high0 Ų035.2 Ų35.20%018%0.177CC..Hα-helixtrans-121.3-31.6-167.9-167.760.2000113.7I354 R358 I401 C405 L412 P413 T418 I419I354-I415 HydrophobicContact CG2-CB 3.73Å; I354-I415 HydrophobicContact CG2-CD1 4.24Å; I354-I415 HydrophobicContact CG2-CG1 4.13Å; I354-I415 HydrophobicContact CG2-CG2 4.32Å; R358-I415 HydrophobicContact CB-CD1 3.79Å; R358-I415 HydrophobicContact CG-CD1 3.99Å; I401-I415 HydrophobicContact CD1-CD1 4.39Å; I401-I415 HydrophobicContact CG2-CD1 4.27Å; I401-I415 HydrophobicContact CG2-CG1 3.57Å; C405-I415 VanDerWaalsContact SG-CG2 3.59Å; L412-I415 WeakPolarHBondContact O-CG2 3.42Å; L412-I415 PolarHBondContact O-N 3.23Å; L412-I415 VanDerWaalsContact O-N 3.15Å; P413-I415 VanDerWaalsContact C-N 3.31Å; P413-I415 PolarHBondContact O-N 2.92Å; I415-T418 WeakPolarHBondContact O-CA 3.38Å; I415-T418 WeakPolarHBondContact O-CB 3.35Å; I415-T418 PolarHBondContact O-N 3.03Å; I415-I419 HydrophobicContact CG1-CG1 4.22Å; I415-I419 PolarHBondContact O-N 3.44Å
416V92.9Very high90.1Very high12 Ų1242.8 Ų42.87%0.07321%0.212CC..Hα-helixtrans-54.9-44.7-179.9170.50000112.4L412 T418 I419 C420 L441 I444 I455L412-V416 HydrophobicContact CB-CG2 4.36Å; L412-V416 HydrophobicContact CD2-CG2 4.12Å; L412-V416 VanDerWaalsContact O-CG2 3.26Å; L412-V416 WeakPolarHBondContact O-CG2 3.38Å; L412-V416 PolarHBondContact O-N 2.8Å; V416-T418 PolarHBondContact O-N 2.81Å; V416-I419 PolarHBondContact O-N 2.91Å; V416-I419 VanDerWaalsContact O-N 3.11Å; V416-C420 PolarHBondContact O-N 3.44Å; V416-C420 PolarHBondContact O-SG 3.23Å; V416-C420 VanDerWaalsContact O-SG 3.33Å; V416-L441 HydrophobicContact CG1-CD2 4.2Å; V416-I444 HydrophobicContact CG2-CD1 3.94Å; V416-I455 HydrophobicContact CG1-CD1 4.21Å; V416-I455 HydrophobicContact CG1-CG1 3.92Å; V416-I455 HydrophobicContact CG1-CG2 4.49Å
417P93.1Very high89.6Confident36 Ų3644.3 Ų44.323%0.23422%0.219CC..Hα-helixtrans-57.6-36.8175.3-26.235.4000113.2P413 C420 E421P413-P417 VanDerWaalsContact O-CD 3.27Å; P413-P417 WeakPolarHBondContact O-CD 3.49Å; P417-C420 PolarHBondContact O-N 2.88Å; P417-E421 WeakPolarHBondContact O-CB 3.42Å; P417-E421 VanDerWaalsContact O-CG 3.28Å; P417-E421 WeakPolarHBondContact O-CG 3.42Å; P417-E421 PolarHBondContact O-N 3.22Å
418T92.6Very high89.2Confident1 Ų139.3 Ų39.31%0.00620%0.2CC..Hα-helixtrans-71-41177-53.10000111.5R358 I362 I415 V416 C420 E421 I422R358-T418 WeakPolarHBondContact CD-OG1 3.4Å; R358-T418 HydrophobicContact CG-CG2 3.92Å; R358-T418 VanDerWaalsContact CZ-OG1 3.31Å; R358-T418 PolarHBondContact NE-OG1 3.15Å; I362-T418 HydrophobicContact CD1-CG2 3.9Å; I362-T418 HydrophobicContact CG1-CG2 3.78Å; I415-T418 WeakPolarHBondContact O-CA 3.38Å; I415-T418 WeakPolarHBondContact O-CB 3.35Å; I415-T418 PolarHBondContact O-N 3.03Å; V416-T418 PolarHBondContact O-N 2.81Å; T418-C420 VanDerWaalsContact C-N 3.28Å; T418-C420 PolarHBondContact O-N 3.16Å; T418-E421 PolarHBondContact O-N 3.42Å; T418-I422 HydrophobicContact CG2-CG2 4.47Å; T418-I422 WeakPolarHBondContact O-CG2 3.07Å; T418-I422 PolarHBondContact O-N 3.3Å
419I93.5Very high88.5Confident0 Ų038.4 Ų38.40%020%0.203CC..Hα-helixtrans-61.6-39.3174.9-66.6-56.9000111.4L361 I415 V416 I422 A437 F440 L441L361-I419 HydrophobicContact CD2-CD1 3.76Å; I415-I419 HydrophobicContact CG1-CG1 4.22Å; I415-I419 PolarHBondContact O-N 3.44Å; V416-I419 PolarHBondContact O-N 2.91Å; V416-I419 VanDerWaalsContact O-N 3.11Å; I419-I422 HydrophobicContact CD1-CD1 4.06Å; I419-I422 WeakPolarHBondContact O-CG1 3.38Å; I419-A437 HydrophobicContact CG2-CB 3.89Å; I419-F440 HydrophobicContact CB-CD1 4.46Å; I419-F440 HydrophobicContact CB-CE1 4.45Å; I419-F440 HydrophobicContact CG1-CD1 4.04Å; I419-F440 HydrophobicContact CG1-CE1 3.83Å; I419-F440 HydrophobicContact CG2-CD1 3.99Å; I419-F440 HydrophobicContact CG2-CE1 4.46Å; I419-L441 HydrophobicContact CG2-CD1 4.35Å; I419-L441 HydrophobicContact CG2-CD2 4.25Å; I419-L441 HydrophobicContact CG2-CG 4.15Å
420C93Very high87.9Confident0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-61.9-51.3172.4-660000110.3V416 P417 T418 I422 L423 K458 L459 I462V416-C420 PolarHBondContact O-N 3.44Å; V416-C420 PolarHBondContact O-SG 3.23Å; V416-C420 VanDerWaalsContact O-SG 3.33Å; P417-C420 PolarHBondContact O-N 2.88Å; T418-C420 VanDerWaalsContact C-N 3.28Å; T418-C420 PolarHBondContact O-N 3.16Å; C420-I422 VanDerWaalsContact C-N 3.34Å; C420-I422 PolarHBondContact O-N 2.75Å; C420-L423 WeakPolarHBondContact O-CB 3.49Å; C420-L423 PolarHBondContact O-N 2.83Å; C420-L423 VanDerWaalsContact O-N 3.12Å; C420-K458 HydrophobicContact CB-CG 3.97Å; C420-L459 HydrophobicContact CB-CD2 4.29Å; C420-I462 VanDerWaalsContact C-CD1 3.45Å; C420-I462 HydrophobicContact CB-CD1 3.71Å; C420-I462 WeakPolarHBondContact O-CD1 3.25Å
421E90.5Very high87.7Confident71 Ų7131.8 Ų31.833%0.33217%0.171SC..Hα-helixtrans-60.1-37.5-177.7-76165-167.600113.5P417 T418 L423 T424 Y425 K458P417-E421 WeakPolarHBondContact O-CB 3.42Å; P417-E421 VanDerWaalsContact O-CG 3.28Å; P417-E421 WeakPolarHBondContact O-CG 3.42Å; P417-E421 PolarHBondContact O-N 3.22Å; T418-E421 PolarHBondContact O-N 3.42Å; E421-L423 PolarHBondContact O-N 3.33Å; E421-T424 WeakPolarHBondContact O-CB 3.48Å; E421-T424 PolarHBondContact O-N 2.9Å; E421-T424 PolarHBondContact O-OG1 2.71Å; E421-Y425 WeakPolarHBondContact O-CD2 3.46Å; E421-Y425 WeakPolarHBondContact O-CE2 3.48Å; E421-K458 WeakPolarHBondContact OE1-CE 3.41Å; E421-K458 IonicContact OE1-NZ 2.71Å; E421-K458 PolarHBondContact OE1-NZ 3.46Å
422I90.4Very high87.4Confident3 Ų336.2 Ų36.22%0.01519%0.187CC..Hα-helixtrans-61.4-27.8178.161.4159.9000112.9L361 V398 T418 I419 C420 T424 Y425 I428 A437L361-I422 HydrophobicContact CD2-CD1 4.23Å; L361-I422 HydrophobicContact CD2-CG2 4.32Å; L361-I422 HydrophobicContact CG-CG2 4.29Å; V398-I422 HydrophobicContact CG2-CD1 4.15Å; T418-I422 HydrophobicContact CG2-CG2 4.47Å; T418-I422 WeakPolarHBondContact O-CG2 3.07Å; T418-I422 PolarHBondContact O-N 3.3Å; I419-I422 HydrophobicContact CD1-CD1 4.06Å; I419-I422 WeakPolarHBondContact O-CG1 3.38Å; C420-I422 VanDerWaalsContact C-N 3.34Å; C420-I422 PolarHBondContact O-N 2.75Å; I422-T424 PolarHBondContact O-N 2.95Å; I422-T424 VanDerWaalsContact O-N 3.1Å; I422-Y425 WeakPolarHBondContact O-CD2 3.5Å; I422-Y425 PolarHBondContact O-N 3.13Å; I422-Y425 VanDerWaalsContact O-N 3.1Å; I422-I428 HydrophobicContact CB-CD1 3.87Å; I422-I428 WeakPolarHBondContact O-CD1 3.44Å; I422-A437 HydrophobicContact CD1-CB 4.33Å
423L90.5Very high87.4Confident5 Ų536.4 Ų36.43%0.02619%0.188CC..THydrogen-bonded Turntrans-67.3-11.8178.4-61.2176.7000113C420 E421 A434 A437 L441 I466 T471 L475C420-L423 WeakPolarHBondContact O-CB 3.49Å; C420-L423 PolarHBondContact O-N 2.83Å; C420-L423 VanDerWaalsContact O-N 3.12Å; E421-L423 PolarHBondContact O-N 3.33Å; L423-A434 HydrophobicContact CD2-CB 4.14Å; L423-A437 HydrophobicContact CD2-CB 3.96Å; L423-L441 HydrophobicContact CD1-CD1 3.94Å; L423-I466 HydrophobicContact CB-CD1 4.41Å; L423-T471 HydrophobicContact CB-CG2 4.36Å; L423-T471 HydrophobicContact CD1-CG2 4.45Å; L423-T471 HydrophobicContact CD2-CG2 3.98Å; L423-T471 HydrophobicContact CG-CG2 4.5Å; L423-L475 HydrophobicContact CD1-CD1 4.23Å; L423-L475 HydrophobicContact CD1-CD2 4.17Å
424T88.7Confident87.4Confident43 Ų4334.1 Ų34.126%0.26417%0.174SC..THydrogen-bonded Turntrans-86.7-13.8175.570.40000113.7E421 I422 I462 I466E421-T424 WeakPolarHBondContact O-CB 3.48Å; E421-T424 PolarHBondContact O-N 2.9Å; E421-T424 PolarHBondContact O-OG1 2.71Å; I422-T424 PolarHBondContact O-N 2.95Å; I422-T424 VanDerWaalsContact O-N 3.1Å; T424-I462 HydrophobicContact CG2-CB 3.84Å; T424-I462 HydrophobicContact CG2-CD1 4.43Å; T424-I462 HydrophobicContact CG2-CG2 4.31Å; T424-I466 HydrophobicContact CG2-CG1 4.48Å
425Y86.6Confident87.4Confident78 Ų7834.4 Ų34.431%0.30617%0.173SC..  trans-76.9129.6-178.2-70.8-113.1000110C365 E421 I422 E427 I428C365-Y425 HydrophobicContact CB-CD1 4.22Å; C365-Y425 HydrophobicContact CB-CE1 4.38Å; C365-Y425 WeakPolarHBondContact O-CD1 3.17Å; E421-Y425 WeakPolarHBondContact O-CD2 3.46Å; E421-Y425 WeakPolarHBondContact O-CE2 3.48Å; I422-Y425 WeakPolarHBondContact O-CD2 3.5Å; I422-Y425 PolarHBondContact O-N 3.13Å; I422-Y425 VanDerWaalsContact O-N 3.1Å; Y425-E427 VanDerWaalsContact C-N 3.29Å; Y425-E427 PolarHBondContact O-N 2.95Å; Y425-I428 HydrophobicContact CG-CD1 4.47Å; Y425-I428 PolarHBondContact O-N 3.32Å; Y425-I428 VanDerWaalsContact O-N 3.14Å
426E79.6Confident87.4Confident160 Ų16035 Ų3575%0.74818%0.175SC*.G310 helixtrans-57.3-41.4-178.3-70.4-174.9169.500112.5I428 G429 V467E426-I428 PolarHBondContact O-N 3.03Å; E426-I428 VanDerWaalsContact O-N 3.12Å; E426-G429 PolarHBondContact O-N 2.96Å; E426-G429 VanDerWaalsContact O-N 3.13Å; E426-V467 HydrophobicContact CG-CG2 4.01Å
427E78Confident87.4Confident70 Ų7034.4 Ų34.433%0.32717%0.172SC..G310 helixtrans-65.7-14.8-178.2-56.5179.1-17000114.3R394 Y425R394-E427 IonicContact CZ-OE2 3.19Å; R394-E427 PolarHBondContact NH1-O 3.33Å; R394-E427 IonicContact NH1-OE2 3.18Å; R394-E427 PolarHBondContact NH1-OE2 3.48Å; R394-E427 IonicContact NH2-OE2 3.29Å; R394-E427 PolarHBondContact NH2-OE2 3.44Å; Y425-E427 VanDerWaalsContact C-N 3.29Å; Y425-E427 PolarHBondContact O-N 2.95Å
428I79.3Confident87.5Confident3 Ų332.8 Ų32.82%0.01516%0.161CC..G310 helixtrans-99.8-15.6-178.8-64.6172.8000110.9C365 I422 Y425 E426 D430 T431 A434C365-I428 HydrophobicContact CB-CD1 3.79Å; C365-I428 WeakPolarHBondContact SG-CD1 3.48Å; I422-I428 HydrophobicContact CB-CD1 3.87Å; I422-I428 WeakPolarHBondContact O-CD1 3.44Å; Y425-I428 HydrophobicContact CG-CD1 4.47Å; Y425-I428 PolarHBondContact O-N 3.32Å; Y425-I428 VanDerWaalsContact O-N 3.14Å; E426-I428 PolarHBondContact O-N 3.03Å; E426-I428 VanDerWaalsContact O-N 3.12Å; I428-D430 PolarHBondContact O-N 2.8Å; I428-D430 VanDerWaalsContact O-N 3.1Å; I428-T431 WeakPolarHBondContact O-CB 3.41Å; I428-T431 WeakPolarHBondContact O-CG2 3.49Å; I428-T431 PolarHBondContact O-N 3.4Å; I428-T431 PolarHBondContact O-OG1 3.16Å; I428-A434 HydrophobicContact CG2-CB 3.82Å; I428-A434 VanDerWaalsContact O-CB 3.31Å; I428-A434 WeakPolarHBondContact O-CB 3.14Å
429G76.6Confident87.4Confident25 Ų2536.7 Ų36.726%0.25818%0.178SC..THydrogen-bonded Turntrans-47.4118.4-178.800000111.9E426 T431E426-G429 PolarHBondContact O-N 2.96Å; E426-G429 VanDerWaalsContact O-N 3.13Å; G429-T431 PolarHBondContact O-N 3.15Å
430D77.2Confident87.4Confident45 Ų4536.8 Ų36.824%0.24118%0.178CC..THydrogen-bonded Turntrans59.216.9176.2-54.5-27.7000116I428 G468 R469 E470 T471I428-D430 PolarHBondContact O-N 2.8Å; I428-D430 VanDerWaalsContact O-N 3.1Å; D430-G468 WeakPolarHBondContact OD1-CA 3.37Å; D430-R469 VanDerWaalsContact CG-N 3.26Å; D430-R469 PolarHBondContact OD1-N 3.38Å; D430-R469 PolarHBondContact OD2-N 3.49Å; D430-E470 HydrophobicContact CB-CB 4.37Å; D430-E470 WeakPolarHBondContact OD1-CA 2.98Å; D430-E470 WeakPolarHBondContact OD1-CB 3.02Å; D430-E470 PolarHBondContact OD1-N 3.33Å; D430-E470 PolarHBondContact OD2-N 3.27Å; D430-T471 PolarHBondContact OD1-N 3.21Å; D430-T471 PolarHBondContact OD1-OG1 3.31Å; D430-T471 VanDerWaalsContact OD1-OG1 3.12Å
431T84.9Confident87.5Confident22 Ų2236.8 Ų36.814%0.13518%0.178CC..SBendtrans-73.4164.5172.563.50000112.2I428 G429 A433 A434 N435I428-T431 WeakPolarHBondContact O-CB 3.41Å; I428-T431 WeakPolarHBondContact O-CG2 3.49Å; I428-T431 PolarHBondContact O-N 3.4Å; I428-T431 PolarHBondContact O-OG1 3.16Å; G429-T431 PolarHBondContact O-N 3.15Å; T431-A433 PolarHBondContact O-N 3.07Å; T431-A434 PolarHBondContact O-N 3.43Å; T431-A434 VanDerWaalsContact O-N 3.12Å; T431-A434 PolarHBondContact OG1-N 2.87Å; T431-N435 PolarHBondContact O-N 2.84Å; T431-N435 VanDerWaalsContact O-N 3.12Å
432R86.5Confident87.6Confident103 Ų10335.7 Ų35.739%0.38917%0.171SC..Hα-helixtrans-54.7-36.1170.9-66.5-176.8-178.4-162.3-2.7112.1F395 N435 E436F395-R432 HydrophobicContact CB-CB 4.48Å; F395-R432 HydrophobicContact CD2-CB 4Å; F395-R432 HydrophobicContact CG-CB 4.4Å; R432-N435 PolarHBondContact O-N 2.74Å; R432-E436 WeakPolarHBondContact O-CB 3.45Å; R432-E436 PolarHBondContact O-N 3.4Å
433A89Confident87.6Confident4 Ų435.6 Ų35.63%0.03317%0.171CC..Hα-helixtrans-66.1-41.8177.300000112.5R394 F395 V398 T431 E436 A437R394-A433 HydrophobicContact CB-CB 3.98Å; F395-A433 HydrophobicContact CB-CB 4.41Å; V398-A433 HydrophobicContact CG2-CB 4.48Å; T431-A433 PolarHBondContact O-N 3.07Å; A433-E436 PolarHBondContact O-N 3.42Å; A433-A437 WeakPolarHBondContact O-CB 3.14Å; A433-A437 PolarHBondContact O-N 3.28Å
434A89.8Confident87.7Confident0 Ų035.4 Ų35.40%017%0.17CC..Hα-helixtrans-63-44.2175.600000112.1L423 I428 T431 E436 A437 C438L423-A434 HydrophobicContact CD2-CB 4.14Å; I428-A434 HydrophobicContact CG2-CB 3.82Å; I428-A434 VanDerWaalsContact O-CB 3.31Å; I428-A434 WeakPolarHBondContact O-CB 3.14Å; T431-A434 PolarHBondContact O-N 3.43Å; T431-A434 VanDerWaalsContact O-N 3.12Å; T431-A434 PolarHBondContact OG1-N 2.87Å; A434-E436 VanDerWaalsContact C-N 3.31Å; A434-E436 PolarHBondContact O-N 3Å; A434-A437 PolarHBondContact O-N 3.03Å; A434-C438 PolarHBondContact O-N 3.41Å; A434-C438 PolarHBondContact O-SG 2.99Å
435N90.4Very high87.8Confident42 Ų4233.5 Ų33.523%0.22516%0.158CC..Hα-helixtrans-62-41.1176.5-72.4-32000111.2T431 R432 C438 K439 H474T431-N435 PolarHBondContact O-N 2.84Å; T431-N435 VanDerWaalsContact O-N 3.12Å; R432-N435 PolarHBondContact O-N 2.74Å; N435-C438 PolarHBondContact O-N 3.01Å; N435-K439 WeakPolarHBondContact O-CG 3.41Å; N435-K439 PolarHBondContact O-N 3.25Å; N435-H474 PolarHBondContact OD1-CE1 3.46Å; N435-H474 VanDerWaalsContact OD1-CE1 3.23Å
436E92.1Very high88Confident12 Ų1232 Ų326%0.05615%0.154CC..Hα-helixtrans-66.5-40.5175.9-164.966.6-178.300112.3F395 V398 H399 Y402 R432 A433 A434 C438 K439 F440F395-E436 HydrophobicContact CD2-CB 4.01Å; F395-E436 HydrophobicContact CD2-CG 4.32Å; F395-E436 HydrophobicContact CE2-CB 3.91Å; F395-E436 HydrophobicContact CE2-CG 3.92Å; V398-E436 HydrophobicContact CG1-CB 4.12Å; V398-E436 HydrophobicContact CG1-CG 4.11Å; H399-E436 HydrophobicContact CB-CG 4.42Å; H399-E436 IonicContact CE1-OE1 3.06Å; H399-E436 IonicContact CG-OE1 2.83Å; H399-E436 IonicContact ND1-OE1 3.92Å; H399-E436 PolarHBondContact ND1-OE1 2.75Å; Y402-E436 WeakPolarHBondContact CD1-OE1 3.39Å; R432-E436 WeakPolarHBondContact O-CB 3.45Å; R432-E436 PolarHBondContact O-N 3.4Å; A433-E436 PolarHBondContact O-N 3.42Å; A434-E436 VanDerWaalsContact C-N 3.31Å; A434-E436 PolarHBondContact O-N 3Å; E436-C438 VanDerWaalsContact C-N 3.34Å; E436-C438 PolarHBondContact O-N 3.06Å; E436-K439 WeakPolarHBondContact O-CB 3.06Å; E436-K439 PolarHBondContact O-N 2.96Å; E436-K439 WeakPolarHBondContact OE2-CD 3.25Å; E436-K439 IonicContact OE2-NZ 3.67Å; E436-K439 PolarHBondContact OE2-NZ 3.27Å; E436-F440 WeakPolarHBondContact O-CB 3.31Å; E436-F440 PolarHBondContact O-N 2.77Å
437A93.7Very high88.4Confident0 Ų028.2 Ų28.20%013%0.133CC..Hα-helixtrans-61.4-40.9173.100000112.1V398 I419 I422 L423 A433 A434 F440 L441V398-A437 HydrophobicContact CG1-CB 4.15Å; I419-A437 HydrophobicContact CG2-CB 3.89Å; I422-A437 HydrophobicContact CD1-CB 4.33Å; L423-A437 HydrophobicContact CD2-CB 3.96Å; A433-A437 WeakPolarHBondContact O-CB 3.14Å; A433-A437 PolarHBondContact O-N 3.28Å; A434-A437 PolarHBondContact O-N 3.03Å; A437-F440 WeakPolarHBondContact O-CB 3.25Å; A437-F440 PolarHBondContact O-N 3.28Å; A437-L441 WeakPolarHBondContact O-CG 3.38Å; A437-L441 PolarHBondContact O-N 3.27Å
438C94.1Very high89Confident2 Ų226.4 Ų26.41%0.01412%0.124CC..Hα-helixtrans-65-41.1175-68.60000112A434 N435 E436 F440 L441 R442 H474A434-C438 PolarHBondContact O-N 3.41Å; A434-C438 PolarHBondContact O-SG 2.99Å; N435-C438 PolarHBondContact O-N 3.01Å; E436-C438 VanDerWaalsContact C-N 3.34Å; E436-C438 PolarHBondContact O-N 3.06Å; C438-F440 VanDerWaalsContact C-N 3.34Å; C438-L441 PolarHBondContact O-N 3.32Å; C438-R442 WeakPolarHBondContact O-CB 3.21Å; C438-R442 PolarHBondContact O-N 3.17Å; C438-H474 HydrophobicContact CB-CB 3.72Å
439K91.5Very high89.3Confident83 Ų8330.2 Ų30.236%0.36115%0.149SC..Hα-helixtrans-62.5-42173.2-69.6176.4-154.9158.20111.5N435 E436 R442 E443N435-K439 WeakPolarHBondContact O-CG 3.41Å; N435-K439 PolarHBondContact O-N 3.25Å; E436-K439 WeakPolarHBondContact O-CB 3.06Å; E436-K439 PolarHBondContact O-N 2.96Å; E436-K439 WeakPolarHBondContact OE2-CD 3.25Å; E436-K439 IonicContact OE2-NZ 3.67Å; E436-K439 PolarHBondContact OE2-NZ 3.27Å; K439-R442 PolarHBondContact O-N 3.03Å; K439-E443 PolarHBondContact O-N 3.23Å
440F93.5Very high89.9Confident1 Ų135.7 Ų35.70%0.00417%0.167CC..Hα-helixtrans-58.4-51.9176.3172.1-135.3000111Y402 C405 L412 I419 E436 A437 C438 R442 E443 I444Y402-F440 HydrophobicContact CD1-CB 4.41Å; Y402-F440 HydrophobicContact CD2-CB 3.95Å; Y402-F440 AromaticContact CD2-CD2 3.04Å; Y402-F440 HydrophobicContact CD2-CD2 3.04Å; Y402-F440 AromaticContact CD2-CE2 3.67Å; Y402-F440 HydrophobicContact CD2-CE2 3.67Å; Y402-F440 AromaticContact CD2-CG 3.79Å; Y402-F440 HydrophobicContact CD2-CG 3.79Å; Y402-F440 HydrophobicContact CE2-CB 4.15Å; Y402-F440 AromaticContact CE2-CD2 3.49Å; Y402-F440 HydrophobicContact CE2-CD2 3.49Å; Y402-F440 VanDerWaalsContact CE2-CD2 3.49Å; Y402-F440 HydrophobicContact CE2-CE2 4.32Å; Y402-F440 HydrophobicContact CE2-CG 4.27Å; Y402-F440 HydrophobicContact CG-CB 4.02Å; Y402-F440 AromaticContact CG-CD2 3.79Å; Y402-F440 HydrophobicContact CG-CD2 3.79Å; Y402-F440 HydrophobicContact CG-CE2 4.49Å; Y402-F440 HydrophobicContact CG-CG 4.12Å; C405-F440 HydrophobicContact CB-CE2 3.73Å; C405-F440 HydrophobicContact CB-CZ 3.7Å; L412-F440 HydrophobicContact CD2-CE2 4.1Å; L412-F440 HydrophobicContact CD2-CZ 3.83Å; I419-F440 HydrophobicContact CB-CD1 4.46Å; I419-F440 HydrophobicContact CB-CE1 4.45Å; I419-F440 HydrophobicContact CG1-CD1 4.04Å; I419-F440 HydrophobicContact CG1-CE1 3.83Å; I419-F440 HydrophobicContact CG2-CD1 3.99Å; I419-F440 HydrophobicContact CG2-CE1 4.46Å; E436-F440 WeakPolarHBondContact O-CB 3.31Å; E436-F440 PolarHBondContact O-N 2.77Å; A437-F440 WeakPolarHBondContact O-CB 3.25Å; A437-F440 PolarHBondContact O-N 3.28Å; C438-F440 VanDerWaalsContact C-N 3.34Å; F440-R442 VanDerWaalsContact C-N 3.31Å; F440-R442 PolarHBondContact O-N 3.41Å; F440-E443 PolarHBondContact O-N 3.19Å; F440-I444 HydrophobicContact CD1-CD1 3.85Å; F440-I444 HydrophobicContact CD2-CD1 3.38Å; F440-I444 HydrophobicContact CD2-CG1 3.65Å; F440-I444 HydrophobicContact CE1-CD1 3.5Å; F440-I444 VanDerWaalsContact CE1-CD1 3.5Å; F440-I444 HydrophobicContact CE2-CD1 3.1Å; F440-I444 HydrophobicContact CE2-CG1 3.45Å; F440-I444 VanDerWaalsContact CE2-CG1 3.45Å; F440-I444 HydrophobicContact CG-CD1 3.81Å; F440-I444 HydrophobicContact CG-CG1 4.47Å; F440-I444 HydrophobicContact CZ-CD1 3.17Å; F440-I444 HydrophobicContact CZ-CG1 4.03Å; F440-I444 VanDerWaalsContact O-CG1 3.25Å; F440-I444 WeakPolarHBondContact O-CG1 3.44Å; F440-I444 PolarHBondContact O-N 2.91Å
441L94.4Very high90.4Very high0 Ų036.9 Ų36.90%017%0.169CC..Hα-helixtrans-58.8-42.7177.8-69.3169.7000112V416 I419 L423 A437 C438 I444 L445 I455 L459 L475 I478V416-L441 HydrophobicContact CG1-CD2 4.2Å; I419-L441 HydrophobicContact CG2-CD1 4.35Å; I419-L441 HydrophobicContact CG2-CD2 4.25Å; I419-L441 HydrophobicContact CG2-CG 4.15Å; L423-L441 HydrophobicContact CD1-CD1 3.94Å; A437-L441 WeakPolarHBondContact O-CG 3.38Å; A437-L441 PolarHBondContact O-N 3.27Å; C438-L441 PolarHBondContact O-N 3.32Å; L441-I444 PolarHBondContact O-N 3.43Å; L441-L445 WeakPolarHBondContact O-CB 3.49Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.43Å; L441-L445 PolarHBondContact O-N 3.14Å; L441-I455 HydrophobicContact CD2-CG2 4.27Å; L441-L459 HydrophobicContact CD1-CD2 3.98Å; L441-L475 HydrophobicContact CD1-CD2 4.43Å; L441-I478 HydrophobicContact CB-CD1 4.16Å
442R92.4Very high90.7Very high49 Ų4937.1 Ų37.119%0.18517%0.168CC..Hα-helixtrans-60-48175.9177.5174.670.4175.72.6112.3C438 K439 F440 L445 E446 W477 I478 Y482 L691C438-R442 WeakPolarHBondContact O-CB 3.21Å; C438-R442 PolarHBondContact O-N 3.17Å; K439-R442 PolarHBondContact O-N 3.03Å; F440-R442 VanDerWaalsContact C-N 3.31Å; F440-R442 PolarHBondContact O-N 3.41Å; R442-L445 PolarHBondContact O-N 3.1Å; R442-E446 PolarHBondContact O-N 3.09Å; R442-W477 HydrophobicContact CG-CH2 4.23Å; R442-W477 HydrophobicContact CG-CZ3 3.69Å; R442-I478 HydrophobicContact CB-CD1 4.33Å; R442-I478 HydrophobicContact CB-CG1 4.49Å; R442-Y482 PolarHBondContact O-OH 3.47Å; R442-L691 HydrophobicContact CG-CD1 3.98Å; R442-L691 HydrophobicContact CG-CD2 4.4Å
443E91.4Very high90.9Very high0 Ų035.2 Ų35.20%017%0.174CC..Hα-helixtrans-68.2-37.2-179.8-172.6168.7159.500111.8Y402 L406 K439 F440 E446 R447 L695 R702Y402-E443 HydrophobicContact CE2-CB 4.4Å; Y402-E443 WeakPolarHBondContact OH-CB 3.22Å; Y402-E443 PolarHBondContact OH-OE2 3.41Å; L406-E443 HydrophobicContact CD2-CG 4.22Å; K439-E443 PolarHBondContact O-N 3.23Å; F440-E443 PolarHBondContact O-N 3.19Å; E443-E446 PolarHBondContact O-N 3.06Å; E443-R447 HydrophobicContact CG-CG 4.39Å; E443-R447 WeakPolarHBondContact O-CG 3.39Å; E443-R447 PolarHBondContact O-N 3.32Å; E443-R447 IonicContact OE1-CZ 3.99Å; E443-R447 IonicContact OE1-NE 3.51Å; E443-R447 PolarHBondContact OE1-NE 2.79Å; E443-R447 IonicContact OE1-NH2 2.68Å; E443-R447 PolarHBondContact OE1-NH2 3.1Å; E443-L695 HydrophobicContact CB-CD2 4.06Å; E443-L695 HydrophobicContact CG-CD1 4.32Å; E443-L695 HydrophobicContact CG-CD2 3.82Å; E443-R702 IonicContact OE1-NH1 3.88Å; E443-R702 PolarHBondContact OE1-NH1 3.47Å; E443-R702 IonicContact OE2-CZ 3.25Å; E443-R702 IonicContact OE2-NH1 2.74Å; E443-R702 PolarHBondContact OE2-NH1 3Å; E443-R702 IonicContact OE2-NH2 3.08Å; E443-R702 PolarHBondContact OE2-NH2 2.83Å
444I91.7Very high91Very high1 Ų139.6 Ų39.61%0.00519%0.194CC..Hα-helixtrans-61.8-46.9174.5-66.1161.3000111.2L412 V416 F440 L441 E446 R447 F448 I455L412-I444 HydrophobicContact CD1-CG2 4.33Å; L412-I444 HydrophobicContact CD2-CD1 3.71Å; L412-I444 HydrophobicContact CD2-CG1 3.85Å; L412-I444 HydrophobicContact CD2-CG2 4.36Å; V416-I444 HydrophobicContact CG2-CD1 3.94Å; F440-I444 HydrophobicContact CD1-CD1 3.85Å; F440-I444 HydrophobicContact CD2-CD1 3.38Å; F440-I444 HydrophobicContact CD2-CG1 3.65Å; F440-I444 HydrophobicContact CE1-CD1 3.5Å; F440-I444 VanDerWaalsContact CE1-CD1 3.5Å; F440-I444 HydrophobicContact CE2-CD1 3.1Å; F440-I444 HydrophobicContact CE2-CG1 3.45Å; F440-I444 VanDerWaalsContact CE2-CG1 3.45Å; F440-I444 HydrophobicContact CG-CD1 3.81Å; F440-I444 HydrophobicContact CG-CG1 4.47Å; F440-I444 HydrophobicContact CZ-CD1 3.17Å; F440-I444 HydrophobicContact CZ-CG1 4.03Å; F440-I444 VanDerWaalsContact O-CG1 3.25Å; F440-I444 WeakPolarHBondContact O-CG1 3.44Å; F440-I444 PolarHBondContact O-N 2.91Å; L441-I444 PolarHBondContact O-N 3.43Å; I444-E446 PolarHBondContact O-N 3.03Å; I444-R447 PolarHBondContact O-N 2.8Å; I444-F448 HydrophobicContact CG2-CD2 4.03Å; I444-F448 PolarHBondContact O-N 3.46Å; I444-I455 HydrophobicContact CG2-CD1 3.63Å
445L91.4Very high91.1Very high3 Ų339.8 Ų39.82%0.01620%0.195CC..Hα-helixtrans-62.1-33.4-177.7-77.8169.9000112.1L441 R442 K452 I455 I478 Y482L441-L445 WeakPolarHBondContact O-CB 3.49Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.43Å; L441-L445 PolarHBondContact O-N 3.14Å; R442-L445 PolarHBondContact O-N 3.1Å; L445-K452 HydrophobicContact CD2-CB 4.19Å; L445-K452 HydrophobicContact CD2-CG 4.11Å; L445-I455 HydrophobicContact CD1-CG2 4.32Å; L445-I455 HydrophobicContact CD2-CB 3.89Å; L445-I455 HydrophobicContact CD2-CD1 4.05Å; L445-I455 HydrophobicContact CD2-CG1 4.5Å; L445-I455 HydrophobicContact CD2-CG2 3.91Å; L445-I455 HydrophobicContact CG-CD1 4.44Å; L445-I455 HydrophobicContact CG-CG2 4.2Å; L445-I478 HydrophobicContact CD1-CG2 3.35Å; L445-Y482 VanDerWaalsContact C-CE1 3.49Å; L445-Y482 HydrophobicContact CB-CD1 3.89Å; L445-Y482 HydrophobicContact CB-CD2 4.07Å; L445-Y482 HydrophobicContact CB-CE1 3.6Å; L445-Y482 HydrophobicContact CB-CE2 3.83Å; L445-Y482 HydrophobicContact CB-CG 4.13Å; L445-Y482 HydrophobicContact CD1-CD2 3.87Å; L445-Y482 HydrophobicContact CD1-CE2 4.17Å; L445-Y482 HydrophobicContact CD1-CG 4.22Å; L445-Y482 WeakPolarHBondContact O-CE1 3.45Å
446E90.1Very high91.3Very high46 Ų4638 Ų3822%0.21519%0.185CC..Hα-helixtrans-72.5-46.9174.3-163.860.1-158.300112.5R442 E443 I444 Y482 R688 L691 L695R442-E446 PolarHBondContact O-N 3.09Å; E443-E446 PolarHBondContact O-N 3.06Å; I444-E446 PolarHBondContact O-N 3.03Å; E446-Y482 WeakPolarHBondContact CB-OH 3.4Å; E446-Y482 PolarHBondContact N-OH 3.48Å; E446-Y482 WeakPolarHBondContact OE2-CE1 3.4Å; E446-Y482 PolarHBondContact OE2-OH 2.84Å; E446-R688 WeakPolarHBondContact OE1-CD 3.46Å; E446-R688 IonicContact OE2-CZ 2.66Å; E446-R688 IonicContact OE2-NE 3.48Å; E446-R688 IonicContact OE2-NH1 3.1Å; E446-R688 PolarHBondContact OE2-NH1 3.04Å; E446-L691 HydrophobicContact CG-CD2 4.38Å; E446-L695 HydrophobicContact CB-CD1 3.87Å; E446-L695 HydrophobicContact CG-CD1 3.87Å
447R88.5Confident91.4Very high81 Ų8143.1 Ų43.131%0.30621%0.209SC..Hα-helixtrans-78.5-28.2-173.7-68.3-177.3-175.5-851.1114.2E443 I444 P449 E699E443-R447 HydrophobicContact CG-CG 4.39Å; E443-R447 WeakPolarHBondContact O-CG 3.39Å; E443-R447 PolarHBondContact O-N 3.32Å; E443-R447 IonicContact OE1-CZ 3.99Å; E443-R447 IonicContact OE1-NE 3.51Å; E443-R447 PolarHBondContact OE1-NE 2.79Å; E443-R447 IonicContact OE1-NH2 2.68Å; E443-R447 PolarHBondContact OE1-NH2 3.1Å; I444-R447 PolarHBondContact O-N 2.8Å; R447-P449 VanDerWaalsContact C-CD 3.47Å; R447-P449 WeakPolarHBondContact O-CD 3.48Å; R447-E699 IonicContact CZ-OE2 3.13Å; R447-E699 VanDerWaalsContact CZ-OE2 3.28Å; R447-E699 IonicContact NH1-OE2 2.72Å; R447-E699 PolarHBondContact NH1-OE2 3.45Å; R447-E699 IonicContact NH2-OE2 2.79Å; R447-E699 PolarHBondContact NH2-OE2 2.93Å
448F89.8Confident91.4Very high32 Ų3245.6 Ų45.614%0.1422%0.22CC..  trans-124.969.2-174.8-54.3-75.5000112.4P409 L412 I444 Q450 R451P409-F448 HydrophobicContact CB-CD1 4.39Å; P409-F448 HydrophobicContact CB-CE1 3.5Å; P409-F448 VanDerWaalsContact CB-CE1 3.5Å; P409-F448 HydrophobicContact CB-CE2 4.38Å; P409-F448 HydrophobicContact CB-CZ 3.5Å; P409-F448 VanDerWaalsContact CB-CZ 3.5Å; P409-F448 HydrophobicContact CG-CE1 3.69Å; P409-F448 HydrophobicContact CG-CZ 3.44Å; P409-F448 VanDerWaalsContact CG-CZ 3.44Å; L412-F448 HydrophobicContact CD1-CD2 3.66Å; L412-F448 HydrophobicContact CD1-CE2 3.69Å; L412-F448 HydrophobicContact CD1-CG 4.16Å; L412-F448 HydrophobicContact CD1-CZ 4.23Å; I444-F448 HydrophobicContact CG2-CD2 4.03Å; I444-F448 PolarHBondContact O-N 3.46Å; F448-Q450 PolarHBondContact O-N 2.82Å; F448-R451 PolarHBondContact O-N 3.22Å
449P87.1Confident91.4Very high83 Ų8345.6 Ų45.654%0.53922%0.22SC..G310 helixtrans-56.1-27.8-177.4-25.134.4000114.4R447 R451 K452R447-P449 VanDerWaalsContact C-CD 3.47Å; R447-P449 WeakPolarHBondContact O-CD 3.48Å; P449-R451 PolarHBondContact O-N 3.43Å; P449-K452 WeakPolarHBondContact O-CB 3.5Å; P449-K452 PolarHBondContact O-N 3.31Å
450Q88.9Confident91.6Very high140 Ų14043 Ų4365%0.65421%0.209SC*.G310 helixtrans-64.1-24.7179.169-79.512.700114F448F448-Q450 PolarHBondContact O-N 2.82Å
451R86.6Confident91.6Very high70 Ų7048.4 Ų48.426%0.26424%0.235SC..G310 helixtrans-97.2-4.1179.3-60.5-165.1177.5-74.4-0.2113.2F448 P449 A453 E454 I455F448-R451 PolarHBondContact O-N 3.22Å; P449-R451 PolarHBondContact O-N 3.43Å; R451-A453 PolarHBondContact O-N 3.31Å; R451-E454 PolarHBondContact O-N 2.89Å; R451-I455 HydrophobicContact CB-CD1 4.36Å; R451-I455 WeakPolarHBondContact O-CG1 3.33Å; R451-I455 PolarHBondContact O-N 3.21Å
452K91.8Very high91.5Very high28 Ų2849 Ų4912%0.12224%0.238CC..Hα-helixtrans-52.1-49-174173.2-172.3150.41730113.4L445 P449 E454 I455 L456 Y482 T484 E488L445-K452 HydrophobicContact CD2-CB 4.19Å; L445-K452 HydrophobicContact CD2-CG 4.11Å; P449-K452 WeakPolarHBondContact O-CB 3.5Å; P449-K452 PolarHBondContact O-N 3.31Å; K452-E454 VanDerWaalsContact C-N 3.33Å; K452-E454 PolarHBondContact O-N 3.2Å; K452-I455 PolarHBondContact O-N 2.91Å; K452-L456 HydrophobicContact CD-CD1 4.46Å; K452-L456 HydrophobicContact CG-CD1 3.79Å; K452-L456 HydrophobicContact CG-CG 4.25Å; K452-L456 WeakPolarHBondContact O-CB 3.36Å; K452-L456 WeakPolarHBondContact O-CG 3.43Å; K452-L456 PolarHBondContact O-N 2.89Å; K452-Y482 WeakPolarHBondContact CE-O 3.33Å; K452-Y482 PolarHBondContact NZ-O 3.1Å; K452-T484 VanDerWaalsContact NZ-CG2 3.33Å; K452-T484 PolarHBondContact NZ-OG1 2.66Å; K452-E488 WeakPolarHBondContact CE-OE1 3.44Å; K452-E488 IonicContact NZ-OE2 3.21Å
453A90.6Very high91.6Very high62 Ų6246.7 Ų46.751%0.51223%0.229SC..Hα-helixtrans-59-44.5-176.800000112R451 I455 L456 E457R451-A453 PolarHBondContact O-N 3.31Å; A453-I455 PolarHBondContact O-N 2.86Å; A453-L456 PolarHBondContact O-N 3.3Å; A453-E457 WeakPolarHBondContact O-CB 3.35Å; A453-E457 PolarHBondContact O-N 3.04Å
454E90.4Very high91.6Very high96 Ų9648.5 Ų48.545%0.44924%0.241SC..Hα-helixtrans-61.6-44.8178.2-175.8-172.9172.200111.9R451 K452 K458R451-E454 PolarHBondContact O-N 2.89Å; K452-E454 VanDerWaalsContact C-N 3.33Å; K452-E454 PolarHBondContact O-N 3.2Å; E454-K458 PolarHBondContact O-N 3.18Å; E454-K458 VanDerWaalsContact O-N 3.13Å
455I92.8Very high91.5Very high5 Ų551.9 Ų51.93%0.02626%0.264CS..Hα-helixtrans-67.2-45.5-179.9-60-179.2000110.5V416 L441 I444 L445 R451 K452 A453 K458 L459V416-I455 HydrophobicContact CG1-CD1 4.21Å; V416-I455 HydrophobicContact CG1-CG1 3.92Å; V416-I455 HydrophobicContact CG1-CG2 4.49Å; L441-I455 HydrophobicContact CD2-CG2 4.27Å; I444-I455 HydrophobicContact CG2-CD1 3.63Å; L445-I455 HydrophobicContact CD1-CG2 4.32Å; L445-I455 HydrophobicContact CD2-CB 3.89Å; L445-I455 HydrophobicContact CD2-CD1 4.05Å; L445-I455 HydrophobicContact CD2-CG1 4.5Å; L445-I455 HydrophobicContact CD2-CG2 3.91Å; L445-I455 HydrophobicContact CG-CD1 4.44Å; L445-I455 HydrophobicContact CG-CG2 4.2Å; R451-I455 HydrophobicContact CB-CD1 4.36Å; R451-I455 WeakPolarHBondContact O-CG1 3.33Å; R451-I455 PolarHBondContact O-N 3.21Å; K452-I455 PolarHBondContact O-N 2.91Å; A453-I455 PolarHBondContact O-N 2.86Å; I455-K458 PolarHBondContact O-N 2.74Å; I455-L459 HydrophobicContact CG2-CD1 3.94Å; I455-L459 HydrophobicContact CG2-CG 4.24Å; I455-L459 WeakPolarHBondContact O-CB 3.11Å; I455-L459 VanDerWaalsContact O-CG 3.27Å; I455-L459 WeakPolarHBondContact O-CG 3.15Å; I455-L459 PolarHBondContact O-N 3.31Å
456L94.6Very high91.4Very high3 Ų351.8 Ų51.82%0.01626%0.264CS..Hα-helixtrans-63.2-44.4179.4-70.2179.9000111.4K452 A453 K458 L459 M460 I478 F479K452-L456 HydrophobicContact CD-CD1 4.46Å; K452-L456 HydrophobicContact CG-CD1 3.79Å; K452-L456 HydrophobicContact CG-CG 4.25Å; K452-L456 WeakPolarHBondContact O-CB 3.36Å; K452-L456 WeakPolarHBondContact O-CG 3.43Å; K452-L456 PolarHBondContact O-N 2.89Å; A453-L456 PolarHBondContact O-N 3.3Å; L456-K458 PolarHBondContact O-N 2.92Å; L456-L459 PolarHBondContact O-N 3.23Å; L456-M460 WeakPolarHBondContact O-CB 3.19Å; L456-M460 VanDerWaalsContact O-CG 3.26Å; L456-M460 WeakPolarHBondContact O-CG 3.48Å; L456-M460 PolarHBondContact O-N 2.78Å; L456-I478 HydrophobicContact CD2-CG2 4.21Å; L456-F479 HydrophobicContact CD2-CD1 3.97Å; L456-F479 HydrophobicContact CD2-CE1 4.27Å
457E94Very high91Very high121 Ų12152.5 Ų52.557%0.56527%0.271SS*.Hα-helixtrans-58.1-48.7177.1-173.9-177.3172.700111.2A453 L459 M460 Q461A453-E457 WeakPolarHBondContact O-CB 3.35Å; A453-E457 PolarHBondContact O-N 3.04Å; E457-L459 PolarHBondContact O-N 3Å; E457-M460 PolarHBondContact O-N 3.28Å; E457-Q461 WeakPolarHBondContact O-CG 3.44Å; E457-Q461 PolarHBondContact O-N 2.95Å; E457-Q461 VanDerWaalsContact O-N 3.07Å
458K93.2Very high90.8Very high52 Ų5248.8 Ų48.823%0.22626%0.258CS..Hα-helixtrans-64.2-42.2177.8-175.663.8173.7-173.90111.9C420 E421 E454 I455 L456 M460 Q461 I462C420-K458 HydrophobicContact CB-CG 3.97Å; E421-K458 WeakPolarHBondContact OE1-CE 3.41Å; E421-K458 IonicContact OE1-NZ 2.71Å; E421-K458 PolarHBondContact OE1-NZ 3.46Å; E454-K458 PolarHBondContact O-N 3.18Å; E454-K458 VanDerWaalsContact O-N 3.13Å; I455-K458 PolarHBondContact O-N 2.74Å; L456-K458 PolarHBondContact O-N 2.92Å; K458-M460 VanDerWaalsContact C-N 3.33Å; K458-M460 PolarHBondContact O-N 3.39Å; K458-Q461 WeakPolarHBondContact O-CB 3.21Å; K458-Q461 PolarHBondContact O-N 3.39Å; K458-I462 WeakPolarHBondContact O-CG1 3.3Å; K458-I462 PolarHBondContact O-N 2.84Å; K458-I462 VanDerWaalsContact O-N 3.16Å
459L95Very high90.7Very high1 Ų148.8 Ų48.81%0.00526%0.257CS..Hα-helixtrans-60.6-42.4176-75.2-180000111.4C420 L441 I455 L456 E457 Q461 I462 F463 L475 I478 F479C420-L459 HydrophobicContact CB-CD2 4.29Å; L441-L459 HydrophobicContact CD1-CD2 3.98Å; I455-L459 HydrophobicContact CG2-CD1 3.94Å; I455-L459 HydrophobicContact CG2-CG 4.24Å; I455-L459 WeakPolarHBondContact O-CB 3.11Å; I455-L459 VanDerWaalsContact O-CG 3.27Å; I455-L459 WeakPolarHBondContact O-CG 3.15Å; I455-L459 PolarHBondContact O-N 3.31Å; L456-L459 PolarHBondContact O-N 3.23Å; E457-L459 PolarHBondContact O-N 3Å; L459-Q461 VanDerWaalsContact C-N 3.32Å; L459-Q461 PolarHBondContact O-N 2.92Å; L459-I462 HydrophobicContact CD2-CD1 4.01Å; L459-I462 HydrophobicContact CD2-CG1 4.48Å; L459-I462 VanDerWaalsContact O-CG1 3.27Å; L459-I462 WeakPolarHBondContact O-CG1 3.5Å; L459-I462 PolarHBondContact O-N 3.13Å; L459-F463 VanDerWaalsContact O-CB 3.29Å; L459-F463 WeakPolarHBondContact O-CB 3.5Å; L459-F463 PolarHBondContact O-N 3.38Å; L459-L475 HydrophobicContact CD1-CD2 4.37Å; L459-L475 HydrophobicContact CD2-CD2 4.01Å; L459-I478 HydrophobicContact CD1-CG2 4.06Å; L459-F479 HydrophobicContact CB-CE1 3.76Å; L459-F479 HydrophobicContact CB-CZ 3.66Å
460M94.8Very high90.8Very high28 Ų2848 Ų4814%0.13825%0.246CC..Hα-helixtrans-62-39.6176.8-73.1-176.5170.700112L456 E457 K458 P464 F479 F492 L495L456-M460 WeakPolarHBondContact O-CB 3.19Å; L456-M460 VanDerWaalsContact O-CG 3.26Å; L456-M460 WeakPolarHBondContact O-CG 3.48Å; L456-M460 PolarHBondContact O-N 2.78Å; E457-M460 PolarHBondContact O-N 3.28Å; K458-M460 VanDerWaalsContact C-N 3.33Å; K458-M460 PolarHBondContact O-N 3.39Å; M460-P464 WeakPolarHBondContact O-CD 3.41Å; M460-F479 HydrophobicContact CB-CE1 4.49Å; M460-F479 HydrophobicContact CE-CD1 4.11Å; M460-F479 HydrophobicContact CE-CE1 4.31Å; M460-F479 HydrophobicContact CG-CD1 4.23Å; M460-F479 HydrophobicContact CG-CE1 3.52Å; M460-F479 HydrophobicContact CG-CZ 3.94Å; M460-F492 HydrophobicContact CE-CB 3.59Å; M460-F492 HydrophobicContact CE-CD2 4.34Å; M460-F492 HydrophobicContact CE-CG 4.44Å; M460-L495 HydrophobicContact CB-CD2 3.95Å; M460-L495 HydrophobicContact CG-CD2 3.83Å
461Q93.6Very high90.9Very high116 Ų11641.4 Ų41.454%0.54222%0.215SC..Hα-helixtrans-64.1-40.3177.5-70.5171.9700112.6E457 K458 L459E457-Q461 WeakPolarHBondContact O-CG 3.44Å; E457-Q461 PolarHBondContact O-N 2.95Å; E457-Q461 VanDerWaalsContact O-N 3.07Å; K458-Q461 WeakPolarHBondContact O-CB 3.21Å; K458-Q461 PolarHBondContact O-N 3.39Å; L459-Q461 VanDerWaalsContact C-N 3.32Å; L459-Q461 PolarHBondContact O-N 2.92Å
462I92.3Very high91.2Very high13 Ų1338 Ų387%0.06720%0.203CC..Hα-helixtrans-85.4-23.7-176.664.7160.1000113.6C420 T424 K458 L459 P464 S465 I466C420-I462 VanDerWaalsContact C-CD1 3.45Å; C420-I462 HydrophobicContact CB-CD1 3.71Å; C420-I462 WeakPolarHBondContact O-CD1 3.25Å; T424-I462 HydrophobicContact CG2-CB 3.84Å; T424-I462 HydrophobicContact CG2-CD1 4.43Å; T424-I462 HydrophobicContact CG2-CG2 4.31Å; K458-I462 WeakPolarHBondContact O-CG1 3.3Å; K458-I462 PolarHBondContact O-N 2.84Å; K458-I462 VanDerWaalsContact O-N 3.16Å; L459-I462 HydrophobicContact CD2-CD1 4.01Å; L459-I462 HydrophobicContact CD2-CG1 4.48Å; L459-I462 VanDerWaalsContact O-CG1 3.27Å; L459-I462 WeakPolarHBondContact O-CG1 3.5Å; L459-I462 PolarHBondContact O-N 3.13Å; I462-P464 VanDerWaalsContact C-CD 3.42Å; I462-P464 VanDerWaalsContact C-N 3.35Å; I462-S465 WeakPolarHBondContact O-CB 3.26Å; I462-S465 PolarHBondContact O-N 3.44Å; I462-I466 HydrophobicContact CD1-CD1 4.25Å; I462-I466 HydrophobicContact CG1-CD1 4.41Å
463F94Very high91.3Very high0 Ų041 Ų410%021%0.213CC..G310 helixtrans-53.5-39.7-171.7-172.7-99.7000114.4L459 S465 I466 L472 L475 V476 F479 L495 V499L459-F463 VanDerWaalsContact O-CB 3.29Å; L459-F463 WeakPolarHBondContact O-CB 3.5Å; L459-F463 PolarHBondContact O-N 3.38Å; F463-S465 PolarHBondContact O-N 2.86Å; F463-S465 VanDerWaalsContact O-N 3.11Å; F463-I466 HydrophobicContact CD2-CD1 4.24Å; F463-I466 PolarHBondContact O-N 2.94Å; F463-L472 HydrophobicContact CD2-CD2 4.14Å; F463-L472 HydrophobicContact CE1-CD2 4.23Å; F463-L472 HydrophobicContact CE2-CD2 3.53Å; F463-L472 HydrophobicContact CZ-CD2 3.57Å; F463-L475 HydrophobicContact CD2-CB 4Å; F463-L475 HydrophobicContact CD2-CD1 4.12Å; F463-L475 HydrophobicContact CE2-CB 3.86Å; F463-V476 HydrophobicContact CE2-CG2 3.94Å; F463-V476 HydrophobicContact CZ-CG2 3.52Å; F463-F479 HydrophobicContact CB-CE2 4.34Å; F463-F479 HydrophobicContact CB-CZ 4.46Å; F463-F479 AromaticContact CD2-CE2 3.68Å; F463-F479 HydrophobicContact CD2-CE2 3.68Å; F463-F479 HydrophobicContact CD2-CZ 4.47Å; F463-F479 HydrophobicContact CE2-CE2 4.09Å; F463-F479 AromaticContact CG-CE2 4Å; F463-F479 HydrophobicContact CG-CE2 4Å; F463-L495 HydrophobicContact CB-CD2 4.11Å; F463-L495 HydrophobicContact CD1-CD1 4.28Å; F463-L495 HydrophobicContact CD1-CD2 4Å; F463-L495 HydrophobicContact CD1-CG 4.17Å; F463-L495 HydrophobicContact CG-CD2 4.27Å; F463-V499 HydrophobicContact CD1-CG1 3.92Å; F463-V499 HydrophobicContact CD1-CG2 4.27Å; F463-V499 HydrophobicContact CE1-CB 4.32Å; F463-V499 HydrophobicContact CE1-CG1 4.19Å; F463-V499 HydrophobicContact CE1-CG2 3.76Å
464P91.8Very high91.4Very high38 Ų3840.4 Ų40.425%0.24720%0.199CC..G310 helixtrans-65.3-9.7175.4-2234.5000115.4M460 I462 L495 V499 V578M460-P464 WeakPolarHBondContact O-CD 3.41Å; I462-P464 VanDerWaalsContact C-CD 3.42Å; I462-P464 VanDerWaalsContact C-N 3.35Å; P464-L495 HydrophobicContact CG-CD1 3.68Å; P464-V499 HydrophobicContact CB-CG1 4.07Å; P464-V499 HydrophobicContact CG-CG1 3.96Å; P464-V578 WeakPolarHBondContact O-CG2 3.38Å
465S90.3Very high91.6Very high72 Ų7235.8 Ų35.850%0.50318%0.178SC..G310 helixtrans-105.91179.9-52.80000113I462 F463I462-S465 WeakPolarHBondContact O-CB 3.26Å; I462-S465 PolarHBondContact O-N 3.44Å; F463-S465 PolarHBondContact O-N 2.86Å; F463-S465 VanDerWaalsContact O-N 3.11Å
466I90Very high91.7Very high0 Ų035.6 Ų35.60%018%0.177CC..  trans-81.4130.2-174.7-63.3-177.8000110.4L423 T424 I462 F463 T471 L472 L475 V578L423-I466 HydrophobicContact CB-CD1 4.41Å; T424-I466 HydrophobicContact CG2-CG1 4.48Å; I462-I466 HydrophobicContact CD1-CD1 4.25Å; I462-I466 HydrophobicContact CG1-CD1 4.41Å; F463-I466 HydrophobicContact CD2-CD1 4.24Å; F463-I466 PolarHBondContact O-N 2.94Å; I466-T471 HydrophobicContact CG2-CG2 3.98Å; I466-L472 HydrophobicContact CB-CD2 4.08Å; I466-L472 HydrophobicContact CG2-CD2 4.02Å; I466-L472 HydrophobicContact CG2-CG 4.2Å; I466-L475 HydrophobicContact CD1-CD1 3.04Å; I466-L475 HydrophobicContact CG1-CD1 4.49Å; I466-V578 WeakPolarHBondContact O-CG1 3.21Å
467V80.5Confident91.7Very high62 Ų6238.2 Ų38.238%0.37619%0.187SC..  trans-95.8-35.3-176-172.60000112E426 R469E426-V467 HydrophobicContact CG-CG2 4.01Å; V467-R469 PolarHBondContact O-NH1 3.3Å
468G85.6Confident91.7Very high2 Ų232.6 Ų32.62%0.02116%0.16CC..  trans-67.7127.7-175.500000114.4D430 T471 L472D430-G468 WeakPolarHBondContact OD1-CA 3.37Å; G468-T471 WeakPolarHBondContact O-CB 3.47Å; G468-T471 PolarHBondContact O-N 3.41Å; G468-L472 WeakPolarHBondContact O-CG 3.29Å; G468-L472 PolarHBondContact O-N 3.03Å
469R87Confident91.8Very high33 Ų3330.1 Ų30.113%0.12515%0.15CC..Hα-helixtrans-74.5-45.5-176.1-52.2-52.6-171.7-153.62112.6D430 V467 T471 L472 R473 E585 H587 P590D430-R469 VanDerWaalsContact CG-N 3.26Å; D430-R469 PolarHBondContact OD1-N 3.38Å; D430-R469 PolarHBondContact OD2-N 3.49Å; V467-R469 PolarHBondContact O-NH1 3.3Å; R469-T471 VanDerWaalsContact C-N 3.27Å; R469-L472 PolarHBondContact O-N 3.22Å; R469-R473 PolarHBondContact O-N 3.27Å; R469-E585 IonicContact CZ-OE1 3.65Å; R469-E585 IonicContact CZ-OE2 2.84Å; R469-E585 VanDerWaalsContact CZ-OE2 3.29Å; R469-E585 IonicContact NE-OE2 2.77Å; R469-E585 PolarHBondContact NE-OE2 3.21Å; R469-E585 IonicContact NH2-OE1 2.69Å; R469-E585 PolarHBondContact NH2-OE1 2.99Å; R469-E585 IonicContact NH2-OE2 2.62Å; R469-E585 PolarHBondContact NH2-OE2 3.01Å; R469-H587 HydrophobicContact CB-CB 4.46Å; R469-H587 HydrophobicContact CG-CB 4.46Å; R469-P590 WeakPolarHBondContact O-CG 3.5Å
470E88.4Confident91.6Very high65 Ų6530 Ų3030%0.30415%0.149SC..Hα-helixtrans-66.4-35.6171.3-72.3-6013300110.2D430 L472 R473 H474D430-E470 HydrophobicContact CB-CB 4.37Å; D430-E470 WeakPolarHBondContact OD1-CA 2.98Å; D430-E470 WeakPolarHBondContact OD1-CB 3.02Å; D430-E470 PolarHBondContact OD1-N 3.33Å; D430-E470 PolarHBondContact OD2-N 3.27Å; E470-L472 PolarHBondContact O-N 3.44Å; E470-R473 VanDerWaalsContact O-CB 3.31Å; E470-R473 WeakPolarHBondContact O-CB 3.46Å; E470-R473 PolarHBondContact O-N 3.23Å; E470-R473 WeakPolarHBondContact OE2-CD 3.38Å; E470-R473 IonicContact OE2-CZ 2.62Å; E470-R473 IonicContact OE2-NH1 3.16Å; E470-R473 PolarHBondContact OE2-NH1 3.42Å; E470-H474 PolarHBondContact O-N 3.1Å; E470-H474 VanDerWaalsContact O-N 3.11Å; E470-H474 PolarHBondContact O-ND1 3.16Å
471T91.9Very high91.4Very high2 Ų228.7 Ų28.71%0.01214%0.143CC..Hα-helixtrans-60.5-45.8175.9-50.50000111.3L423 D430 I466 G468 R469 R473 H474 L475L423-T471 HydrophobicContact CB-CG2 4.36Å; L423-T471 HydrophobicContact CD1-CG2 4.45Å; L423-T471 HydrophobicContact CD2-CG2 3.98Å; L423-T471 HydrophobicContact CG-CG2 4.5Å; D430-T471 PolarHBondContact OD1-N 3.21Å; D430-T471 PolarHBondContact OD1-OG1 3.31Å; D430-T471 VanDerWaalsContact OD1-OG1 3.12Å; I466-T471 HydrophobicContact CG2-CG2 3.98Å; G468-T471 WeakPolarHBondContact O-CB 3.47Å; G468-T471 PolarHBondContact O-N 3.41Å; R469-T471 VanDerWaalsContact C-N 3.27Å; T471-R473 VanDerWaalsContact C-N 3.3Å; T471-R473 PolarHBondContact O-N 3.49Å; T471-H474 PolarHBondContact O-N 3.31Å; T471-L475 HydrophobicContact CG2-CD1 4.19Å; T471-L475 WeakPolarHBondContact O-CG 3.25Å; T471-L475 PolarHBondContact O-N 2.98Å
472L92.8Very high91.3Very high0 Ų023.4 Ų23.40%012%0.118CC..Hα-helixtrans-56.1-44.9174.1-71.5167.2000111.7F463 I466 G468 R469 E470 H474 L475 V476 V578 A582 P590F463-L472 HydrophobicContact CD2-CD2 4.14Å; F463-L472 HydrophobicContact CE1-CD2 4.23Å; F463-L472 HydrophobicContact CE2-CD2 3.53Å; F463-L472 HydrophobicContact CZ-CD2 3.57Å; I466-L472 HydrophobicContact CB-CD2 4.08Å; I466-L472 HydrophobicContact CG2-CD2 4.02Å; I466-L472 HydrophobicContact CG2-CG 4.2Å; G468-L472 WeakPolarHBondContact O-CG 3.29Å; G468-L472 PolarHBondContact O-N 3.03Å; R469-L472 PolarHBondContact O-N 3.22Å; E470-L472 PolarHBondContact O-N 3.44Å; L472-H474 VanDerWaalsContact C-N 3.34Å; L472-H474 PolarHBondContact O-N 3.31Å; L472-L475 PolarHBondContact O-N 2.66Å; L472-V476 WeakPolarHBondContact O-CB 3.48Å; L472-V476 VanDerWaalsContact O-CG2 3.23Å; L472-V476 WeakPolarHBondContact O-CG2 3.44Å; L472-V476 PolarHBondContact O-N 2.92Å; L472-V578 HydrophobicContact CD1-CG1 3.51Å; L472-V578 HydrophobicContact CD2-CG1 3.61Å; L472-V578 HydrophobicContact CG-CG1 4.13Å; L472-A582 HydrophobicContact CD1-CB 4.4Å; L472-P590 HydrophobicContact CB-CB 4.28Å; L472-P590 HydrophobicContact CB-CG 4.16Å
473R92.6Very high91.4Very high89 Ų8922.8 Ų22.834%0.33611%0.114SC..Hα-helixtrans-55.4-48.1177.1177.3-159.4170.9-177.9-2.1111.5R469 E470 T471 W477 P590 V593R469-R473 PolarHBondContact O-N 3.27Å; E470-R473 VanDerWaalsContact O-CB 3.31Å; E470-R473 WeakPolarHBondContact O-CB 3.46Å; E470-R473 PolarHBondContact O-N 3.23Å; E470-R473 WeakPolarHBondContact OE2-CD 3.38Å; E470-R473 IonicContact OE2-CZ 2.62Å; E470-R473 IonicContact OE2-NH1 3.16Å; E470-R473 PolarHBondContact OE2-NH1 3.42Å; T471-R473 VanDerWaalsContact C-N 3.3Å; T471-R473 PolarHBondContact O-N 3.49Å; R473-W477 PolarHBondContact O-N 3.29Å; R473-W477 VanDerWaalsContact O-N 3.14Å; R473-P590 HydrophobicContact CB-CG 4.16Å; R473-V593 HydrophobicContact CG-CB 4.39Å; R473-V593 HydrophobicContact CG-CG2 3.62Å
474H93.3Very high91.2Very high50 Ų5025.5 Ų25.523%0.23113%0.131CC..Hα-helixtrans-63.8-41.8179.5-65.794.9000112.2N435 C438 E470 T471 L472 W477 I478N435-H474 PolarHBondContact OD1-CE1 3.46Å; N435-H474 VanDerWaalsContact OD1-CE1 3.23Å; C438-H474 HydrophobicContact CB-CB 3.72Å; E470-H474 PolarHBondContact O-N 3.1Å; E470-H474 VanDerWaalsContact O-N 3.11Å; E470-H474 PolarHBondContact O-ND1 3.16Å; T471-H474 PolarHBondContact O-N 3.31Å; L472-H474 VanDerWaalsContact C-N 3.34Å; L472-H474 PolarHBondContact O-N 3.31Å; H474-W477 WeakPolarHBondContact O-CB 3.31Å; H474-W477 PolarHBondContact O-N 3.32Å; H474-I478 WeakPolarHBondContact O-CG1 3.17Å; H474-I478 PolarHBondContact O-N 2.83Å
475L94.9Very high91.1Very high0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-73-39-178.1-65.6179.2000113L423 L441 L459 F463 I466 T471 L472 W477 I478 F479L423-L475 HydrophobicContact CD1-CD1 4.23Å; L423-L475 HydrophobicContact CD1-CD2 4.17Å; L441-L475 HydrophobicContact CD1-CD2 4.43Å; L459-L475 HydrophobicContact CD1-CD2 4.37Å; L459-L475 HydrophobicContact CD2-CD2 4.01Å; F463-L475 HydrophobicContact CD2-CB 4Å; F463-L475 HydrophobicContact CD2-CD1 4.12Å; F463-L475 HydrophobicContact CE2-CB 3.86Å; I466-L475 HydrophobicContact CD1-CD1 3.04Å; I466-L475 HydrophobicContact CG1-CD1 4.49Å; T471-L475 HydrophobicContact CG2-CD1 4.19Å; T471-L475 WeakPolarHBondContact O-CG 3.25Å; T471-L475 PolarHBondContact O-N 2.98Å; L472-L475 PolarHBondContact O-N 2.66Å; L475-W477 VanDerWaalsContact C-N 3.26Å; L475-W477 PolarHBondContact O-N 3.36Å; L475-I478 HydrophobicContact CD2-CD1 4.17Å; L475-I478 WeakPolarHBondContact O-CB 3.44Å; L475-I478 PolarHBondContact O-N 2.9Å; L475-I478 VanDerWaalsContact O-N 3.12Å; L475-F479 HydrophobicContact CB-CE2 4.47Å; L475-F479 WeakPolarHBondContact O-CD2 3.4Å; L475-F479 PolarHBondContact O-N 2.83Å
476V94.9Very high91.1Very high0 Ų026.3 Ų26.30%013%0.125CC..Hα-helixtrans-58.8-43.5171.9172.90000110.2F463 L472 I478 F479 G480 V593 L594 C597F463-V476 HydrophobicContact CE2-CG2 3.94Å; F463-V476 HydrophobicContact CZ-CG2 3.52Å; L472-V476 WeakPolarHBondContact O-CB 3.48Å; L472-V476 VanDerWaalsContact O-CG2 3.23Å; L472-V476 WeakPolarHBondContact O-CG2 3.44Å; L472-V476 PolarHBondContact O-N 2.92Å; V476-I478 VanDerWaalsContact C-N 3.33Å; V476-I478 PolarHBondContact O-N 2.96Å; V476-F479 PolarHBondContact O-N 3.07Å; V476-G480 PolarHBondContact O-N 2.8Å; V476-V593 HydrophobicContact CB-CG1 4.31Å; V476-V593 HydrophobicContact CG1-CG1 4.01Å; V476-L594 HydrophobicContact CG1-CB 3.83Å; V476-L594 HydrophobicContact CG1-CD1 4.06Å; V476-C597 PolarHBondContact O-SG 3.22Å; V476-C597 VanDerWaalsContact O-SG 3.39Å
477W94.2Very high91.1Very high59 Ų5932.5 Ų32.522%0.22315%0.154CC..Hα-helixtrans-59.7-44.6174.8-175.390000111.4R442 R473 H474 L475 F479 G480 E481 Y482 V593 L691R442-W477 HydrophobicContact CG-CH2 4.23Å; R442-W477 HydrophobicContact CG-CZ3 3.69Å; R473-W477 PolarHBondContact O-N 3.29Å; R473-W477 VanDerWaalsContact O-N 3.14Å; H474-W477 WeakPolarHBondContact O-CB 3.31Å; H474-W477 PolarHBondContact O-N 3.32Å; L475-W477 VanDerWaalsContact C-N 3.26Å; L475-W477 PolarHBondContact O-N 3.36Å; W477-F479 PolarHBondContact O-N 3.31Å; W477-G480 PolarHBondContact O-N 2.9Å; W477-E481 HydrophobicContact CE3-CB 4.37Å; W477-E481 HydrophobicContact CH2-CB 4.27Å; W477-E481 HydrophobicContact CH2-CG 3.79Å; W477-E481 HydrophobicContact CZ2-CB 4.43Å; W477-E481 HydrophobicContact CZ2-CG 3.97Å; W477-E481 HydrophobicContact CZ3-CB 4.22Å; W477-E481 HydrophobicContact CZ3-CG 4.18Å; W477-E481 VanDerWaalsContact O-CB 3.28Å; W477-E481 WeakPolarHBondContact O-CB 3.34Å; W477-E481 PolarHBondContact O-N 3.08Å; W477-Y482 HydrophobicContact CZ3-CE2 4.38Å; W477-V593 HydrophobicContact CB-CG1 3.67Å; W477-V593 HydrophobicContact CG-CG1 4.43Å; W477-L691 HydrophobicContact CH2-CD1 4.05Å; W477-L691 HydrophobicContact CH2-CD2 3.8Å; W477-L691 HydrophobicContact CH2-CG 4.36Å
478I94.1Very high91.7Very high2 Ų230.9 Ų30.91%0.0114%0.142CC..Hα-helixtrans-57.2-46.9176-75.1173.8000111.1L441 R442 L445 L456 L459 H474 L475 V476 E481 Y482L441-I478 HydrophobicContact CB-CD1 4.16Å; R442-I478 HydrophobicContact CB-CD1 4.33Å; R442-I478 HydrophobicContact CB-CG1 4.49Å; L445-I478 HydrophobicContact CD1-CG2 3.35Å; L456-I478 HydrophobicContact CD2-CG2 4.21Å; L459-I478 HydrophobicContact CD1-CG2 4.06Å; H474-I478 WeakPolarHBondContact O-CG1 3.17Å; H474-I478 PolarHBondContact O-N 2.83Å; L475-I478 HydrophobicContact CD2-CD1 4.17Å; L475-I478 WeakPolarHBondContact O-CB 3.44Å; L475-I478 PolarHBondContact O-N 2.9Å; L475-I478 VanDerWaalsContact O-N 3.12Å; V476-I478 VanDerWaalsContact C-N 3.33Å; V476-I478 PolarHBondContact O-N 2.96Å; I478-E481 PolarHBondContact O-N 3.23Å; I478-Y482 HydrophobicContact CG2-CD2 4.11Å; I478-Y482 WeakPolarHBondContact O-CB 3.43Å; I478-Y482 WeakPolarHBondContact O-CD2 3.13Å; I478-Y482 PolarHBondContact O-N 3.44Å
479F94.7Very high92.1Very high0 Ų030.8 Ų30.80%014%0.141CC..Hα-helixtrans-63-46.1177.1-65.2-56.9000112.1L456 L459 M460 F463 L475 V476 W477 E481 Y482 C483 F492 L495L456-F479 HydrophobicContact CD2-CD1 3.97Å; L456-F479 HydrophobicContact CD2-CE1 4.27Å; L459-F479 HydrophobicContact CB-CE1 3.76Å; L459-F479 HydrophobicContact CB-CZ 3.66Å; M460-F479 HydrophobicContact CB-CE1 4.49Å; M460-F479 HydrophobicContact CE-CD1 4.11Å; M460-F479 HydrophobicContact CE-CE1 4.31Å; M460-F479 HydrophobicContact CG-CD1 4.23Å; M460-F479 HydrophobicContact CG-CE1 3.52Å; M460-F479 HydrophobicContact CG-CZ 3.94Å; F463-F479 HydrophobicContact CB-CE2 4.34Å; F463-F479 HydrophobicContact CB-CZ 4.46Å; F463-F479 AromaticContact CD2-CE2 3.68Å; F463-F479 HydrophobicContact CD2-CE2 3.68Å; F463-F479 HydrophobicContact CD2-CZ 4.47Å; F463-F479 HydrophobicContact CE2-CE2 4.09Å; F463-F479 AromaticContact CG-CE2 4Å; F463-F479 HydrophobicContact CG-CE2 4Å; L475-F479 HydrophobicContact CB-CE2 4.47Å; L475-F479 WeakPolarHBondContact O-CD2 3.4Å; L475-F479 PolarHBondContact O-N 2.83Å; V476-F479 PolarHBondContact O-N 3.07Å; W477-F479 PolarHBondContact O-N 3.31Å; F479-E481 PolarHBondContact O-N 3.08Å; F479-Y482 PolarHBondContact O-N 2.72Å; F479-C483 VanDerWaalsContact O-CB 3.23Å; F479-C483 WeakPolarHBondContact O-CB 3.45Å; F479-C483 PolarHBondContact O-N 3.41Å; F479-C483 PolarHBondContact O-SG 3.22Å; F479-C483 VanDerWaalsContact O-SG 3.32Å; F479-F492 HydrophobicContact CB-CD2 3.46Å; F479-F492 VanDerWaalsContact CB-CD2 3.46Å; F479-F492 HydrophobicContact CB-CE2 3.29Å; F479-F492 HydrophobicContact CB-CG 4.17Å; F479-F492 HydrophobicContact CB-CZ 3.84Å; F479-F492 HydrophobicContact CD1-CD2 4.24Å; F479-F492 AromaticContact CD2-CD2 3.9Å; F479-F492 HydrophobicContact CD2-CD2 3.9Å; F479-F492 AromaticContact CD2-CE2 3.48Å; F479-F492 HydrophobicContact CD2-CE2 3.48Å; F479-F492 VanDerWaalsContact CD2-CE2 3.48Å; F479-F492 HydrophobicContact CE2-CE2 4.43Å; F479-F492 AromaticContact CG-CD2 3.63Å; F479-F492 HydrophobicContact CG-CD2 3.63Å; F479-F492 AromaticContact CG-CE2 3.56Å; F479-F492 HydrophobicContact CG-CE2 3.56Å; F479-L495 HydrophobicContact CE2-CD2 4.31Å; F479-L495 HydrophobicContact CZ-CD2 4.31Å
480G91.5Very high92.4Very high0 Ų031.5 Ų31.50%015%0.148CC..Hα-helixtrans-63.6-2717900000113.8V476 W477 R604V476-G480 PolarHBondContact O-N 2.8Å; W477-G480 PolarHBondContact O-N 2.9Å; G480-R604 PolarHBondContact O-NH1 3.25Å; G480-R604 PolarHBondContact O-NH2 3.46Å
481E91.2Very high92.7Very high0 Ų031.2 Ų31.20%015%0.153CC..Hα-helixtrans-86.5-43.1178.3-16150.8-127.400111.2W477 I478 F479 K600 R604 S687 R688W477-E481 HydrophobicContact CE3-CB 4.37Å; W477-E481 HydrophobicContact CH2-CB 4.27Å; W477-E481 HydrophobicContact CH2-CG 3.79Å; W477-E481 HydrophobicContact CZ2-CB 4.43Å; W477-E481 HydrophobicContact CZ2-CG 3.97Å; W477-E481 HydrophobicContact CZ3-CB 4.22Å; W477-E481 HydrophobicContact CZ3-CG 4.18Å; W477-E481 VanDerWaalsContact O-CB 3.28Å; W477-E481 WeakPolarHBondContact O-CB 3.34Å; W477-E481 PolarHBondContact O-N 3.08Å; I478-E481 PolarHBondContact O-N 3.23Å; F479-E481 PolarHBondContact O-N 3.08Å; E481-K600 IonicContact OE2-NZ 2.67Å; E481-K600 PolarHBondContact OE2-NZ 3Å; E481-R604 PolarHBondContact O-NH1 3.38Å; E481-R604 PolarHBondContact O-NH2 3.45Å; E481-R604 IonicContact OE1-NH2 3.4Å; E481-S687 PolarHBondContact OE2-OG 3.12Å; E481-R688 VanDerWaalsContact CG-NH2 3.28Å; E481-R688 PolarHBondContact O-NH2 3.46Å; E481-R688 IonicContact OE1-CZ 2.81Å; E481-R688 IonicContact OE1-NE 3.09Å; E481-R688 PolarHBondContact OE1-NE 3.42Å; E481-R688 IonicContact OE1-NH2 3.72Å; E481-R688 PolarHBondContact OE1-NH2 3.42Å
482Y92Very high92.9Very high4 Ų431.1 Ų31.12%0.01615%0.153CC..Hα-helixtrans-99.7-16.1-171.9-65.6-85.5000114.5R442 L445 E446 K452 W477 I478 F479 T484 R688 L691R442-Y482 PolarHBondContact O-OH 3.47Å; L445-Y482 VanDerWaalsContact C-CE1 3.49Å; L445-Y482 HydrophobicContact CB-CD1 3.89Å; L445-Y482 HydrophobicContact CB-CD2 4.07Å; L445-Y482 HydrophobicContact CB-CE1 3.6Å; L445-Y482 HydrophobicContact CB-CE2 3.83Å; L445-Y482 HydrophobicContact CB-CG 4.13Å; L445-Y482 HydrophobicContact CD1-CD2 3.87Å; L445-Y482 HydrophobicContact CD1-CE2 4.17Å; L445-Y482 HydrophobicContact CD1-CG 4.22Å; L445-Y482 WeakPolarHBondContact O-CE1 3.45Å; E446-Y482 WeakPolarHBondContact CB-OH 3.4Å; E446-Y482 PolarHBondContact N-OH 3.48Å; E446-Y482 WeakPolarHBondContact OE2-CE1 3.4Å; E446-Y482 PolarHBondContact OE2-OH 2.84Å; K452-Y482 WeakPolarHBondContact CE-O 3.33Å; K452-Y482 PolarHBondContact NZ-O 3.1Å; W477-Y482 HydrophobicContact CZ3-CE2 4.38Å; I478-Y482 HydrophobicContact CG2-CD2 4.11Å; I478-Y482 WeakPolarHBondContact O-CB 3.43Å; I478-Y482 WeakPolarHBondContact O-CD2 3.13Å; I478-Y482 PolarHBondContact O-N 3.44Å; F479-Y482 PolarHBondContact O-N 2.72Å; Y482-T484 PolarHBondContact O-N 2.85Å; Y482-R688 VanDerWaalsContact CZ-NH1 3.28Å; Y482-L691 VanDerWaalsContact OH-CD2 3.31Å; Y482-L691 WeakPolarHBondContact OH-CD2 3.27Å
483C93Very high92.9Very high0 Ų031.4 Ų31.40%015%0.154CC..  trans-69.4106.3172.9-68.90000110.5F479 E488 I489 L601 R604F479-C483 VanDerWaalsContact O-CB 3.23Å; F479-C483 WeakPolarHBondContact O-CB 3.45Å; F479-C483 PolarHBondContact O-N 3.41Å; F479-C483 PolarHBondContact O-SG 3.22Å; F479-C483 VanDerWaalsContact O-SG 3.32Å; C483-E488 HydrophobicContact CB-CB 4.05Å; C483-I489 HydrophobicContact CB-CG1 4.37Å; C483-L601 HydrophobicContact CB-CD2 3.83Å; C483-R604 WeakPolarHBondContact O-CD 3.4Å; C483-R604 PolarHBondContact O-NH1 3.09Å
484T89.6Confident93Very high58 Ų5831.5 Ų31.536%0.35617%0.165SC..  trans-118.6-26.5-174.960.10000113.6K452 Y482 E488 I608K452-T484 VanDerWaalsContact NZ-CG2 3.33Å; K452-T484 PolarHBondContact NZ-OG1 2.66Å; Y482-T484 PolarHBondContact O-N 2.85Å; T484-E488 PolarHBondContact N-OE2 3.08Å; T484-I608 WeakPolarHBondContact O-CD1 3.25Å
485T90.4Very high93.1Very high56 Ų5629.6 Ų29.634%0.34416%0.156SC..SBendtrans-87159.4179.562.10000111.2E487 E488 I489T485-E487 VanDerWaalsContact C-N 3.29Å; T485-E487 PolarHBondContact O-N 3.48Å; T485-E488 PolarHBondContact N-OE2 3.11Å; T485-E488 PolarHBondContact O-N 3.19Å; T485-E488 VanDerWaalsContact OG1-CB 3.28Å; T485-E488 WeakPolarHBondContact OG1-CB 3.37Å; T485-E488 WeakPolarHBondContact OG1-CG 3.33Å; T485-E488 PolarHBondContact OG1-N 2.96Å; T485-E488 PolarHBondContact OG1-OE2 3.45Å; T485-I489 WeakPolarHBondContact O-CD1 3.5Å; T485-I489 WeakPolarHBondContact O-CG1 3.27Å; T485-I489 PolarHBondContact O-N 3.49Å
486Y89.4Confident93Very high70 Ų7029.6 Ų29.628%0.27516%0.156SC..Hα-helixtrans-59.9-40.9178.8-174.2-96.9000111.5N490 Y605 I608Y486-N490 VanDerWaalsContact CD1-ND2 3.27Å; Y486-N490 WeakPolarHBondContact CD1-ND2 3.29Å; Y486-N490 WeakPolarHBondContact CE1-ND2 3.42Å; Y486-N490 VanDerWaalsContact CZ-ND2 3.26Å; Y486-N490 PolarHBondContact O-N 2.84Å; Y486-N490 PolarHBondContact O-ND2 2.94Å; Y486-Y605 HydrophobicContact CD2-CD2 4.08Å; Y486-Y605 AromaticContact CD2-CE2 3.63Å; Y486-Y605 HydrophobicContact CD2-CE2 3.63Å; Y486-Y605 HydrophobicContact CE2-CD2 4.02Å; Y486-Y605 AromaticContact CE2-CE2 3.12Å; Y486-Y605 HydrophobicContact CE2-CE2 3.12Å; Y486-Y605 AromaticContact CE2-CZ 3.59Å; Y486-Y605 WeakPolarHBondContact CE2-OH 3.26Å; Y486-Y605 AromaticContact CZ-CE2 3.98Å; Y486-Y605 PolarHBondContact OH-OH 3.49Å; Y486-I608 HydrophobicContact CD2-CG2 4.47Å
487E91.5Very high92.8Very high130 Ų13036.1 Ų36.161%0.60718%0.181SC*.Hα-helixtrans-67.1-44.5178.6-60.384.6-177.400112.2T485 I489 N490 S491T485-E487 VanDerWaalsContact C-N 3.29Å; T485-E487 PolarHBondContact O-N 3.48Å; E487-I489 PolarHBondContact O-N 2.91Å; E487-N490 PolarHBondContact O-N 3.4Å; E487-S491 WeakPolarHBondContact O-CB 3.45Å; E487-S491 PolarHBondContact O-N 3.46Å; E487-S491 PolarHBondContact O-OG 3.32Å
488E93.6Very high92.6Very high28 Ų2839.2 Ų39.213%0.13120%0.198CC..Hα-helixtrans-60.7-44.2177.6-74.7165160.800111.5K452 C483 T484 T485 S491 F492K452-E488 WeakPolarHBondContact CE-OE1 3.44Å; K452-E488 IonicContact NZ-OE2 3.21Å; C483-E488 HydrophobicContact CB-CB 4.05Å; T484-E488 PolarHBondContact N-OE2 3.08Å; T485-E488 PolarHBondContact N-OE2 3.11Å; T485-E488 PolarHBondContact O-N 3.19Å; T485-E488 VanDerWaalsContact OG1-CB 3.28Å; T485-E488 WeakPolarHBondContact OG1-CB 3.37Å; T485-E488 WeakPolarHBondContact OG1-CG 3.33Å; T485-E488 PolarHBondContact OG1-N 2.96Å; T485-E488 PolarHBondContact OG1-OE2 3.45Å; E488-S491 PolarHBondContact O-N 3.27Å; E488-F492 WeakPolarHBondContact O-CB 3.45Å; E488-F492 PolarHBondContact O-N 3.37Å
489I93.6Very high92.5Very high0 Ų039.2 Ų39.20%020%0.198CC..Hα-helixtrans-62-48.8-179.9-66.4167.1000110.4C483 T485 E487 S491 F492 M493 L601 R604 Y605 I608 F633C483-I489 HydrophobicContact CB-CG1 4.37Å; T485-I489 WeakPolarHBondContact O-CD1 3.5Å; T485-I489 WeakPolarHBondContact O-CG1 3.27Å; T485-I489 PolarHBondContact O-N 3.49Å; E487-I489 PolarHBondContact O-N 2.91Å; I489-S491 VanDerWaalsContact C-N 3.35Å; I489-S491 PolarHBondContact O-N 2.85Å; I489-F492 PolarHBondContact O-N 2.83Å; I489-M493 WeakPolarHBondContact O-CG 3.32Å; I489-M493 PolarHBondContact O-N 2.98Å; I489-L601 HydrophobicContact CG1-CD2 4.07Å; I489-L601 HydrophobicContact CG2-CB 4.42Å; I489-R604 HydrophobicContact CD1-CB 4.15Å; I489-Y605 HydrophobicContact CG2-CD2 4.2Å; I489-I608 HydrophobicContact CD1-CD1 3.94Å; I489-F633 HydrophobicContact CG2-CE2 3.79Å; I489-F633 HydrophobicContact CG2-CZ 3.52Å
490N93.4Very high92.2Very high48 Ų4839.2 Ų39.226%0.25720%0.198SC..Hα-helixtrans-67.4-35.9-179.8-71.3-52.9000112.6Y486 E487 F492 M493 T494Y486-N490 VanDerWaalsContact CD1-ND2 3.27Å; Y486-N490 WeakPolarHBondContact CD1-ND2 3.29Å; Y486-N490 WeakPolarHBondContact CE1-ND2 3.42Å; Y486-N490 VanDerWaalsContact CZ-ND2 3.26Å; Y486-N490 PolarHBondContact O-N 2.84Å; Y486-N490 PolarHBondContact O-ND2 2.94Å; E487-N490 PolarHBondContact O-N 3.4Å; N490-F492 VanDerWaalsContact C-N 3.34Å; N490-M493 PolarHBondContact O-N 3.48Å; N490-T494 PolarHBondContact O-N 3.23Å; N490-T494 PolarHBondContact O-OG1 3.45Å
491S94.8Very high91.9Very high60 Ų6040 Ų4042%0.4221%0.206SC..Hα-helixtrans-63.2-42.9174.8-580000110.8E487 E488 I489 T494 L495E487-S491 WeakPolarHBondContact O-CB 3.45Å; E487-S491 PolarHBondContact O-N 3.46Å; E487-S491 PolarHBondContact O-OG 3.32Å; E488-S491 PolarHBondContact O-N 3.27Å; I489-S491 VanDerWaalsContact C-N 3.35Å; I489-S491 PolarHBondContact O-N 2.85Å; S491-T494 PolarHBondContact O-N 3.15Å; S491-L495 PolarHBondContact O-N 2.81Å
492F95Very high91.7Very high0 Ų046.9 Ų46.90%024%0.238CC..Hα-helixtrans-63.2-43.7174.3-179.8-112.1000112.5M460 F479 E488 I489 N490 T494 L495 I496 L594 L601M460-F492 HydrophobicContact CE-CB 3.59Å; M460-F492 HydrophobicContact CE-CD2 4.34Å; M460-F492 HydrophobicContact CE-CG 4.44Å; F479-F492 HydrophobicContact CB-CD2 3.46Å; F479-F492 VanDerWaalsContact CB-CD2 3.46Å; F479-F492 HydrophobicContact CB-CE2 3.29Å; F479-F492 HydrophobicContact CB-CG 4.17Å; F479-F492 HydrophobicContact CB-CZ 3.84Å; F479-F492 HydrophobicContact CD1-CD2 4.24Å; F479-F492 AromaticContact CD2-CD2 3.9Å; F479-F492 HydrophobicContact CD2-CD2 3.9Å; F479-F492 AromaticContact CD2-CE2 3.48Å; F479-F492 HydrophobicContact CD2-CE2 3.48Å; F479-F492 VanDerWaalsContact CD2-CE2 3.48Å; F479-F492 HydrophobicContact CE2-CE2 4.43Å; F479-F492 AromaticContact CG-CD2 3.63Å; F479-F492 HydrophobicContact CG-CD2 3.63Å; F479-F492 AromaticContact CG-CE2 3.56Å; F479-F492 HydrophobicContact CG-CE2 3.56Å; E488-F492 WeakPolarHBondContact O-CB 3.45Å; E488-F492 PolarHBondContact O-N 3.37Å; I489-F492 PolarHBondContact O-N 2.83Å; N490-F492 VanDerWaalsContact C-N 3.34Å; F492-T494 VanDerWaalsContact C-N 3.28Å; F492-T494 PolarHBondContact O-N 2.84Å; F492-L495 HydrophobicContact CD2-CD2 4.48Å; F492-L495 WeakPolarHBondContact O-CB 3.27Å; F492-L495 PolarHBondContact O-N 2.81Å; F492-I496 HydrophobicContact CD1-CG1 4.17Å; F492-I496 HydrophobicContact CD2-CG1 4.2Å; F492-I496 HydrophobicContact CE1-CD1 4.3Å; F492-I496 HydrophobicContact CE1-CG1 3.72Å; F492-I496 HydrophobicContact CE2-CD1 3.7Å; F492-I496 HydrophobicContact CE2-CG1 3.71Å; F492-I496 HydrophobicContact CG-CG1 4.42Å; F492-I496 HydrophobicContact CZ-CD1 3.57Å; F492-I496 HydrophobicContact CZ-CG1 3.49Å; F492-I496 VanDerWaalsContact CZ-CG1 3.49Å; F492-I496 WeakPolarHBondContact O-CG1 3.08Å; F492-I496 PolarHBondContact O-N 2.9Å; F492-L594 HydrophobicContact CE1-CD1 4.11Å; F492-L594 HydrophobicContact CZ-CD1 3.94Å; F492-L601 HydrophobicContact CD1-CD1 3.31Å; F492-L601 HydrophobicContact CE1-CD1 3.5Å; F492-L601 HydrophobicContact CG-CD1 4.45Å
493M94Very high91.4Very high5 Ų548.7 Ų48.73%0.02525%0.248CC..Hα-helixtrans-61-39.7176.8-68.9-59.6-70.700112I489 N490 I496 R497 L598 F633 E636 I640I489-M493 WeakPolarHBondContact O-CG 3.32Å; I489-M493 PolarHBondContact O-N 2.98Å; N490-M493 PolarHBondContact O-N 3.48Å; M493-I496 PolarHBondContact O-N 2.65Å; M493-R497 WeakPolarHBondContact O-CG 3.44Å; M493-R497 PolarHBondContact O-N 2.84Å; M493-L598 HydrophobicContact CE-CD2 4.08Å; M493-L598 HydrophobicContact SD-CD2 3.62Å; M493-F633 HydrophobicContact CE-CE2 4.44Å; M493-F633 HydrophobicContact CG-CE2 3.74Å; M493-F633 HydrophobicContact CG-CZ 4.02Å; M493-F633 HydrophobicContact SD-CE2 4.34Å; M493-F633 HydrophobicContact SD-CZ 4.16Å; M493-E636 HydrophobicContact CE-CB 4.49Å; M493-E636 VanDerWaalsContact CE-CD 3.5Å; M493-E636 HydrophobicContact CE-CG 3.61Å; M493-E636 WeakPolarHBondContact CE-OE1 3.46Å; M493-I640 HydrophobicContact CE-CD1 3.62Å
494T94Very high91.1Very high92 Ų9251.1 Ų51.156%0.56426%0.263SS*.Hα-helixtrans-63.2-44.4174.8-55.20000111.3N490 S491 F492 I496 R497 Q498N490-T494 PolarHBondContact O-N 3.23Å; N490-T494 PolarHBondContact O-OG1 3.45Å; S491-T494 PolarHBondContact O-N 3.15Å; F492-T494 VanDerWaalsContact C-N 3.28Å; F492-T494 PolarHBondContact O-N 2.84Å; T494-I496 PolarHBondContact O-N 3.34Å; T494-R497 PolarHBondContact O-N 3.43Å; T494-Q498 PolarHBondContact O-N 3.01Å
495L94.3Very high90.8Very high9 Ų948.4 Ų48.45%0.04725%0.246CC..Hα-helixtrans-60.6-43.7175175.564.9000112M460 F463 P464 F479 S491 F492 R497 Q498 V499M460-L495 HydrophobicContact CB-CD2 3.95Å; M460-L495 HydrophobicContact CG-CD2 3.83Å; F463-L495 HydrophobicContact CB-CD2 4.11Å; F463-L495 HydrophobicContact CD1-CD1 4.28Å; F463-L495 HydrophobicContact CD1-CD2 4Å; F463-L495 HydrophobicContact CD1-CG 4.17Å; F463-L495 HydrophobicContact CG-CD2 4.27Å; P464-L495 HydrophobicContact CG-CD1 3.68Å; F479-L495 HydrophobicContact CE2-CD2 4.31Å; F479-L495 HydrophobicContact CZ-CD2 4.31Å; S491-L495 PolarHBondContact O-N 2.81Å; F492-L495 HydrophobicContact CD2-CD2 4.48Å; F492-L495 WeakPolarHBondContact O-CB 3.27Å; F492-L495 PolarHBondContact O-N 2.81Å; L495-R497 PolarHBondContact O-N 2.86Å; L495-Q498 WeakPolarHBondContact O-CB 3.45Å; L495-Q498 PolarHBondContact O-N 3.06Å; L495-Q498 VanDerWaalsContact O-N 3.16Å; L495-V499 HydrophobicContact CD1-CG1 4.02Å; L495-V499 VanDerWaalsContact O-CG2 3.31Å; L495-V499 WeakPolarHBondContact O-CG2 3.28Å; L495-V499 PolarHBondContact O-N 3.14Å
496I93.1Very high90.5Very high0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-62.7-42.3178.3-69.9-59.5000111.2F492 M493 T494 Q498 V499 I500 L594 I640F492-I496 HydrophobicContact CD1-CG1 4.17Å; F492-I496 HydrophobicContact CD2-CG1 4.2Å; F492-I496 HydrophobicContact CE1-CD1 4.3Å; F492-I496 HydrophobicContact CE1-CG1 3.72Å; F492-I496 HydrophobicContact CE2-CD1 3.7Å; F492-I496 HydrophobicContact CE2-CG1 3.71Å; F492-I496 HydrophobicContact CG-CG1 4.42Å; F492-I496 HydrophobicContact CZ-CD1 3.57Å; F492-I496 HydrophobicContact CZ-CG1 3.49Å; F492-I496 VanDerWaalsContact CZ-CG1 3.49Å; F492-I496 WeakPolarHBondContact O-CG1 3.08Å; F492-I496 PolarHBondContact O-N 2.9Å; M493-I496 PolarHBondContact O-N 2.65Å; T494-I496 PolarHBondContact O-N 3.34Å; I496-Q498 VanDerWaalsContact C-N 3.29Å; I496-Q498 PolarHBondContact O-N 3.05Å; I496-V499 HydrophobicContact CD1-CG2 4.15Å; I496-V499 PolarHBondContact O-N 3.22Å; I496-I500 VanDerWaalsContact O-CB 3.27Å; I496-I500 WeakPolarHBondContact O-CB 3.46Å; I496-I500 WeakPolarHBondContact O-CG2 3.5Å; I496-I500 PolarHBondContact O-N 3.02Å; I496-L594 HydrophobicContact CD1-CD1 3.75Å; I496-L594 HydrophobicContact CD1-CD2 4.23Å; I496-L594 HydrophobicContact CG1-CD1 3.99Å; I496-L594 HydrophobicContact CG2-CD1 4.44Å; I496-L594 HydrophobicContact CG2-CD2 3.99Å; I496-I640 HydrophobicContact CG2-CD1 4.25Å; I496-I640 HydrophobicContact CG2-CG2 4.48Å
497R90.7Very high90.2Very high137 Ų13747.1 Ų47.152%0.51724%0.243SC..Hα-helixtrans-58-43.6173.2-71.3173.9178.3-134.612111.6M493 T494 L495 G501 E636M493-R497 WeakPolarHBondContact O-CG 3.44Å; M493-R497 PolarHBondContact O-N 2.84Å; T494-R497 PolarHBondContact O-N 3.43Å; L495-R497 PolarHBondContact O-N 2.86Å; R497-G501 PolarHBondContact O-N 3.44Å; R497-E636 IonicContact CZ-OE1 3.32Å; R497-E636 IonicContact NE-OE1 3.52Å; R497-E636 PolarHBondContact NE-OE1 3.47Å; R497-E636 IonicContact NH2-OE1 4Å; R497-E636 PolarHBondContact NH2-OE1 2.92Å; R497-E636 IonicContact NH2-OE2 2.71Å; R497-E636 PolarHBondContact NH2-OE2 2.73Å; R497-E636 VanDerWaalsContact NH2-OE2 3.13Å
498Q91.1Very high89.6Confident125 Ų12542.4 Ų42.458%0.58422%0.221SC*.Hα-helixtrans-63-42.7177.7-174.7-175.20.200112.6T494 L495 I496T494-Q498 PolarHBondContact O-N 3.01Å; L495-Q498 WeakPolarHBondContact O-CB 3.45Å; L495-Q498 PolarHBondContact O-N 3.06Å; L495-Q498 VanDerWaalsContact O-N 3.16Å; I496-Q498 VanDerWaalsContact C-N 3.29Å; I496-Q498 PolarHBondContact O-N 3.05Å
499V91.1Very high88.9Confident2 Ų241.5 Ų41.51%0.01222%0.216CC..Hα-helixtrans-88.5-15-174.3-61.10000114.8F463 P464 L495 I496 P577 L579 Q580F463-V499 HydrophobicContact CD1-CG1 3.92Å; F463-V499 HydrophobicContact CD1-CG2 4.27Å; F463-V499 HydrophobicContact CE1-CB 4.32Å; F463-V499 HydrophobicContact CE1-CG1 4.19Å; F463-V499 HydrophobicContact CE1-CG2 3.76Å; P464-V499 HydrophobicContact CB-CG1 4.07Å; P464-V499 HydrophobicContact CG-CG1 3.96Å; L495-V499 HydrophobicContact CD1-CG1 4.02Å; L495-V499 VanDerWaalsContact O-CG2 3.31Å; L495-V499 WeakPolarHBondContact O-CG2 3.28Å; L495-V499 PolarHBondContact O-N 3.14Å; I496-V499 HydrophobicContact CD1-CG2 4.15Å; I496-V499 PolarHBondContact O-N 3.22Å; V499-P577 VanDerWaalsContact C-CB 3.41Å; V499-P577 CarbonylContact O-C 3.36Å; V499-P577 WeakPolarHBondContact O-CB 3.43Å; V499-L579 HydrophobicContact CB-CB 4.3Å; V499-L579 HydrophobicContact CG2-CB 4Å; V499-L579 HydrophobicContact CG2-CD2 4.42Å; V499-L579 WeakPolarHBondContact O-CB 3.37Å; V499-L579 PolarHBondContact O-N 3.16Å; V499-Q580 PolarHBondContact O-N 2.95Å
500I89.7Confident88.3Confident0 Ų045.5 Ų45.50%024%0.238CC..Hα-helixtrans-96.7-28.1174.6-152.6174000112.3I496 L503 L505 L579 Q580 L583 I640 M644I496-I500 VanDerWaalsContact O-CB 3.27Å; I496-I500 WeakPolarHBondContact O-CB 3.46Å; I496-I500 WeakPolarHBondContact O-CG2 3.5Å; I496-I500 PolarHBondContact O-N 3.02Å; I500-L503 HydrophobicContact CD1-CD2 4.43Å; I500-L503 HydrophobicContact CG2-CD2 4.14Å; I500-L505 HydrophobicContact CD1-CD1 4.27Å; I500-L505 HydrophobicContact CG1-CD1 4.24Å; I500-L505 HydrophobicContact CG1-CD2 4.29Å; I500-L505 WeakPolarHBondContact O-CD2 3.24Å; I500-L579 HydrophobicContact CB-CD2 4.34Å; I500-L579 HydrophobicContact CD1-CD2 4.32Å; I500-L579 HydrophobicContact CG1-CD2 4.24Å; I500-Q580 WeakPolarHBondContact O-CB 3.46Å; I500-Q580 PolarHBondContact O-NE2 3.01Å; I500-Q580 VanDerWaalsContact O-NE2 3.1Å; I500-L583 HydrophobicContact CG1-CD1 4.46Å; I500-I640 HydrophobicContact CD1-CG2 3.99Å; I500-M644 HydrophobicContact CD1-CG 3.78Å; I500-M644 HydrophobicContact CD1-SD 3.81Å
501G85.4Confident87.7Confident16 Ų1651 Ų5117%0.16526%0.255CS..  trans89.5-175.8-174.600000113.6R497R497-G501 PolarHBondContact O-N 3.44Å
502E85.8Confident86.8Confident144 Ų14450.7 Ų50.767%0.67324%0.244SC*.SBendtrans-64.8138.4179.9-66-62.6159.500111.8E508E502-E508 HydrophobicContact CB-CG 4.35Å
503L85.8Confident85.7Confident43 Ų4354.6 Ų54.623%0.22526%0.263CS..SBendtrans-107.9144.5-179.8-57178.5000109.9I500 L505 L639 I640I500-L503 HydrophobicContact CD1-CD2 4.43Å; I500-L503 HydrophobicContact CG2-CD2 4.14Å; L503-L505 HydrophobicContact CD2-CD1 4.35Å; L503-L505 HydrophobicContact CD2-CD2 3.84Å; L503-L505 HydrophobicContact CD2-CG 3.66Å; L503-L639 HydrophobicContact CB-CD2 4.38Å; L503-L639 HydrophobicContact CB-CG 4.41Å; L503-L639 HydrophobicContact CD1-CD2 4.46Å; L503-L639 HydrophobicContact CD1-CG 4.23Å; L503-I640 HydrophobicContact CD1-CB 4.35Å; L503-I640 HydrophobicContact CD1-CG1 3.63Å
504P87.3Confident84.8Confident51 Ų5157.1 Ų57.133%0.33128%0.284SS..SBendcis-75.8139.71.6-17.333.2000114.2V506 D507 E508P504-V506 PolarHBondContact O-N 3.37Å; P504-D507 HydrophobicContact CB-CB 4.41Å; P504-D507 PolarHBondContact O-N 3.38Å; P504-E508 WeakPolarHBondContact O-CB 3.34Å; P504-E508 PolarHBondContact O-N 3.31Å; P504-E508 VanDerWaalsContact O-N 3.09Å
505L83.8Confident83.5Confident0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-61.4-40.8-172.6-68.2172.3000114.2I500 L503 E509 L583 M644 L647I500-L505 HydrophobicContact CD1-CD1 4.27Å; I500-L505 HydrophobicContact CG1-CD1 4.24Å; I500-L505 HydrophobicContact CG1-CD2 4.29Å; I500-L505 WeakPolarHBondContact O-CD2 3.24Å; L503-L505 HydrophobicContact CD2-CD1 4.35Å; L503-L505 HydrophobicContact CD2-CD2 3.84Å; L503-L505 HydrophobicContact CD2-CG 3.66Å; L505-E509 WeakPolarHBondContact O-CB 3.29Å; L505-E509 PolarHBondContact O-N 3.1Å; L505-L583 HydrophobicContact CD1-CD1 4.47Å; L505-M644 HydrophobicContact CD1-CG 4.21Å; L505-L647 HydrophobicContact CD1-CD2 4.15Å
506V83Confident81.8Confident8 Ų861.8 Ų61.85%0.04831%0.307CS..Hα-helixtrans-70.4-46-177.6174.80000110.6P504 E508 E509 L510 H646 L647 L652P504-V506 PolarHBondContact O-N 3.37Å; V506-E508 VanDerWaalsContact C-N 3.27Å; V506-E508 PolarHBondContact O-N 3.35Å; V506-E509 PolarHBondContact O-N 3.23Å; V506-L510 HydrophobicContact CG1-CD1 3.95Å; V506-L510 HydrophobicContact CG1-CG 4.29Å; V506-L510 WeakPolarHBondContact O-CB 3.47Å; V506-L510 VanDerWaalsContact O-CG 3.32Å; V506-L510 WeakPolarHBondContact O-CG 3.5Å; V506-L510 PolarHBondContact O-N 2.92Å; V506-H646 VanDerWaalsContact CB-CD2 3.43Å; V506-H646 WeakPolarHBondContact CB-CD2 3.29Å; V506-H646 HydrophobicContact CG2-CB 4.37Å; V506-H646 WeakPolarHBondContact CG2-CD2 3.25Å; V506-L647 HydrophobicContact CG2-CB 4.18Å; V506-L647 HydrophobicContact CG2-CD1 4.29Å; V506-L652 HydrophobicContact CG1-CD1 3.94Å; V506-L652 HydrophobicContact CG2-CD1 4.49Å
507D83.1Confident80Confident92 Ų9265.4 Ų65.449%0.49234%0.337SS..Hα-helixtrans-60.9-41.4178.4-63.7-18.4000111P504 L510 R511P504-D507 HydrophobicContact CB-CB 4.41Å; P504-D507 PolarHBondContact O-N 3.38Å; D507-L510 PolarHBondContact O-N 3.32Å; D507-R511 VanDerWaalsContact O-CB 3.27Å; D507-R511 WeakPolarHBondContact O-CB 3.44Å; D507-R511 PolarHBondContact O-N 3.43Å
508E79.1Confident77.8Confident31 Ų3164.7 Ų64.715%0.14534%0.344CS..Hα-helixtrans-67.2-38.2177.2175.252.7-155.300112.2E502 P504 V506 R511 R512E502-E508 HydrophobicContact CB-CG 4.35Å; P504-E508 WeakPolarHBondContact O-CB 3.34Å; P504-E508 PolarHBondContact O-N 3.31Å; P504-E508 VanDerWaalsContact O-N 3.09Å; V506-E508 VanDerWaalsContact C-N 3.27Å; V506-E508 PolarHBondContact O-N 3.35Å; E508-R511 VanDerWaalsContact CD-NH2 3.33Å; E508-R511 IonicContact OE1-NH2 2.71Å; E508-R511 PolarHBondContact OE1-NH2 3.29Å; E508-R511 IonicContact OE2-CZ 2.68Å; E508-R511 IonicContact OE2-NE 2.77Å; E508-R511 PolarHBondContact OE2-NE 2.99Å; E508-R511 IonicContact OE2-NH2 3.98Å; E508-R511 PolarHBondContact OE2-NH2 3.4Å; E508-R512 VanDerWaalsContact CG-NH2 3.25Å; E508-R512 WeakPolarHBondContact O-CB 3.42Å; E508-R512 PolarHBondContact O-N 2.97Å; E508-R512 IonicContact OE1-CZ 2.74Å; E508-R512 IonicContact OE1-NH2 2.75Å; E508-R512 PolarHBondContact OE1-NH2 3.36Å
509E78.9Confident75.4Confident8 Ų864 Ų644%0.03735%0.35CS..Hα-helixtrans-68.5-41.1173.2-177.263.6-156.200111.9L505 V506 R512 Q513 R576 F584 L652L505-E509 WeakPolarHBondContact O-CB 3.29Å; L505-E509 PolarHBondContact O-N 3.1Å; V506-E509 PolarHBondContact O-N 3.23Å; E509-R512 WeakPolarHBondContact O-CB 3.35Å; E509-R512 PolarHBondContact O-N 2.89Å; E509-R512 IonicContact OE2-CZ 2.75Å; E509-R512 IonicContact OE2-NH1 3.52Å; E509-R512 PolarHBondContact OE2-NH1 2.99Å; E509-Q513 WeakPolarHBondContact O-CG 3.28Å; E509-Q513 PolarHBondContact O-N 3.43Å; E509-Q513 PolarHBondContact OE1-NE2 2.83Å; E509-Q513 VanDerWaalsContact OE1-NE2 3.11Å; E509-R576 IonicContact OE1-NH2 2.68Å; E509-R576 PolarHBondContact OE1-NH2 3.26Å; E509-R576 IonicContact OE2-NH2 3.88Å; E509-F584 HydrophobicContact CB-CZ 4.18Å; E509-F584 HydrophobicContact CG-CE1 4.07Å; E509-F584 HydrophobicContact CG-CZ 3.9Å; E509-L652 HydrophobicContact CB-CD1 4.22Å; E509-L652 HydrophobicContact CG-CD1 4Å
510L80.6Confident72.9Confident85 Ų8569.2 Ų69.245%0.44538%0.382SS..Hα-helixtrans-64.1-41.6175.4-71174.8000111.7V506 D507 R512 Q513 A514 L652V506-L510 HydrophobicContact CG1-CD1 3.95Å; V506-L510 HydrophobicContact CG1-CG 4.29Å; V506-L510 WeakPolarHBondContact O-CB 3.47Å; V506-L510 VanDerWaalsContact O-CG 3.32Å; V506-L510 WeakPolarHBondContact O-CG 3.5Å; V506-L510 PolarHBondContact O-N 2.92Å; D507-L510 PolarHBondContact O-N 3.32Å; L510-R512 VanDerWaalsContact C-N 3.3Å; L510-R512 PolarHBondContact O-N 3.26Å; L510-Q513 PolarHBondContact O-N 2.86Å; L510-A514 WeakPolarHBondContact O-CB 3.42Å; L510-A514 PolarHBondContact O-N 3.19Å; L510-L652 HydrophobicContact CD2-CD2 4.37Å
511R80.6Confident70.3Confident163 Ų16376 Ų7662%0.61542%0.418SS*.Hα-helixtrans-61.6-38.6173.7-171.6179.574.3111.21111.6D507 E508 S515D507-R511 VanDerWaalsContact O-CB 3.27Å; D507-R511 WeakPolarHBondContact O-CB 3.44Å; D507-R511 PolarHBondContact O-N 3.43Å; E508-R511 VanDerWaalsContact CD-NH2 3.33Å; E508-R511 IonicContact OE1-NH2 2.71Å; E508-R511 PolarHBondContact OE1-NH2 3.29Å; E508-R511 IonicContact OE2-CZ 2.68Å; E508-R511 IonicContact OE2-NE 2.77Å; E508-R511 PolarHBondContact OE2-NE 2.99Å; E508-R511 IonicContact OE2-NH2 3.98Å; E508-R511 PolarHBondContact OE2-NH2 3.4Å; R511-S515 PolarHBondContact O-N 2.85Å; R511-S515 PolarHBondContact O-OG 2.91Å
512R76.6Confident67.8Low53 Ų5381.2 Ų81.220%0.245%0.452CS..Hα-helixtrans-68.8-41.7175.9-168-178.5-601148.5112.3E508 E509 L510 S515 Q516E508-R512 VanDerWaalsContact CG-NH2 3.25Å; E508-R512 WeakPolarHBondContact O-CB 3.42Å; E508-R512 PolarHBondContact O-N 2.97Å; E508-R512 IonicContact OE1-CZ 2.74Å; E508-R512 IonicContact OE1-NH2 2.75Å; E508-R512 PolarHBondContact OE1-NH2 3.36Å; E509-R512 WeakPolarHBondContact O-CB 3.35Å; E509-R512 PolarHBondContact O-N 2.89Å; E509-R512 IonicContact OE2-CZ 2.75Å; E509-R512 IonicContact OE2-NH1 3.52Å; E509-R512 PolarHBondContact OE2-NH1 2.99Å; L510-R512 VanDerWaalsContact C-N 3.3Å; L510-R512 PolarHBondContact O-N 3.26Å; R512-S515 WeakPolarHBondContact CA-OG 3.39Å; R512-S515 PolarHBondContact O-N 2.92Å; R512-S515 PolarHBondContact O-OG 2.65Å; R512-Q516 PolarHBondContact O-N 3.1Å; R512-Q516 VanDerWaalsContact O-N 3.1Å
513Q72.6Confident65.1Low83 Ų8379.6 Ų79.639%0.38846%0.457SS..Hα-helixtrans-66.4-39175.1-71.1177.610.400111.6E509 L510 Q516 A517E509-Q513 WeakPolarHBondContact O-CG 3.28Å; E509-Q513 PolarHBondContact O-N 3.43Å; E509-Q513 PolarHBondContact OE1-NE2 2.83Å; E509-Q513 VanDerWaalsContact OE1-NE2 3.11Å; L510-Q513 PolarHBondContact O-N 2.86Å; Q513-Q516 PolarHBondContact O-N 3.1Å; Q513-A517 WeakPolarHBondContact O-CB 3.19Å; Q513-A517 PolarHBondContact O-N 3.2Å
514A74.2Confident62.5Low57 Ų5781.6 Ų81.647%0.47148%0.479SS..Hα-helixtrans-64.1-40.1175.900000112.8L510 A517 N518L510-A514 WeakPolarHBondContact O-CB 3.42Å; L510-A514 PolarHBondContact O-N 3.19Å; A514-A517 PolarHBondContact O-N 3.13Å; A514-N518 PolarHBondContact O-N 3.14Å
515S67.1Low59.6Low75 Ų7587.6 Ų87.652%0.52450%0.503SS..Hα-helixtrans-71-27.7175.747.40000113.5R511 R512R511-S515 PolarHBondContact O-N 2.85Å; R511-S515 PolarHBondContact O-OG 2.91Å; R512-S515 WeakPolarHBondContact CA-OG 3.39Å; R512-S515 PolarHBondContact O-N 2.92Å; R512-S515 PolarHBondContact O-OG 2.65Å
516Q59.1Low56.9Low124 Ų12494.7 Ų94.758%0.57954%0.541SS*.Hα-helixtrans-76.7-35.6171-74.4-175.30.500113.1R512 Q513 N518R512-Q516 PolarHBondContact O-N 3.1Å; R512-Q516 VanDerWaalsContact O-N 3.1Å; Q513-Q516 PolarHBondContact O-N 3.1Å; Q516-N518 VanDerWaalsContact C-N 3.29Å; Q516-N518 PolarHBondContact O-N 3.06Å
517A55.2Low54.1Low76 Ų76104.2 Ų104.263%0.62859%0.585SS**Hα-helixtrans-68.9-27.6178.700000112.8Q513 A514Q513-A517 WeakPolarHBondContact O-CB 3.19Å; Q513-A517 PolarHBondContact O-N 3.2Å; A514-A517 PolarHBondContact O-N 3.13Å
518N42.9Very low51.5Low122 Ų122104.5 Ų104.565%0.65259%0.594SS**  trans-122.588.7176.7-71.7-24.8000111A514 Q516 V520A514-N518 PolarHBondContact O-N 3.14Å; Q516-N518 VanDerWaalsContact C-N 3.29Å; Q516-N518 PolarHBondContact O-N 3.06Å; N518-V520 PolarHBondContact O-N 3.12Å
519P41.2Very low48.8Very low110 Ų110111.9 Ų111.971%0.71463%0.628SS**  trans-76.96.8175.40.814.4000113.6
520V39Very low46.3Very low112 Ų112117.1 Ų117.168%0.67966%0.663SS**  trans-91.2127-177.4-167.30000108.2N518N518-V520 PolarHBondContact O-N 3.12Å
521D35.5Very low43.6Very low144 Ų144118.8 Ų118.877%0.7768%0.682SS**  trans83.462.1174.8-54.2-24.8000117
522S32.5Very low40.9Very low125 Ų125117.3 Ų117.387%0.87469%0.691SS**  trans-113.760.4156.1-56.50000110.7
523S29.5Very low38.4Very low110 Ų110122.2 Ų122.277%0.76972%0.72SS**  trans-135.154.9168.566.50000111
524A30.4Very low36.1Very low84 Ų84125.7 Ų125.769%0.69474%0.74SS**SBendtrans-159.7118.8161.500000109.9
525E27Very low33.8Very low177 Ų177129 Ų12983%0.82776%0.759SS**  trans67.488.3143.5-58.1177.3178.200117.6
526N26.9Very low31.7Very low150 Ų150128.7 Ų128.780%0.80277%0.769SS**  -167.3103.1111.4-96.7-34000111.3S528N526-S528 PolarHBondContact O-N 2.7Å
527Q25.2Very low30Very low207 Ų207130.4 Ų130.497%0.96778%0.782SS**  trans-71.693.1157.1-70.8174-7.500107.8
528S27.4Very low28.6Very low99 Ų99133.8 Ų133.869%0.69279%0.794SS**  trans-130.6107.7159.847.20000108.4N526N526-S528 PolarHBondContact O-N 2.7Å
529Q22.6Very low27.6Very low185 Ų185135 Ų13586%0.86480%0.801SS**  trans-51.3129.6-178.6-68.9165.9-2900111S531Q529-S531 PolarHBondContact O-N 3.28Å
530P26.6Very low27Very low118 Ų118137 Ų13777%0.76681%0.81SS**  trans-74.9113.6161.522.1-13.4000107.6V532P530-V532 PolarHBondContact O-N 3.1Å; P530-V532 VanDerWaalsContact O-N 3.11Å
531S24.3Very low26.4Very low121 Ų121135.2 Ų135.285%0.84681%0.814SS**  trans-60.4109.3174.45.80000110.1Q529Q529-S531 PolarHBondContact O-N 3.28Å
532V22.6Very low26Very low132 Ų132133.6 Ų133.680%0.881%0.809SS**  trans-71.1119169.7173.60000109.1P530P530-V532 PolarHBondContact O-N 3.1Å; P530-V532 VanDerWaalsContact O-N 3.11Å
533L24.2Very low25.9Very low155 Ų155135.5 Ų135.581%0.81281%0.81SS**  trans-150.4117.8158.2-80.6-174.1000112.1
534I24.5Very low26Very low157 Ų157134.2 Ų134.281%0.80580%0.799SS**  trans77.881.5151.5-45.2165.8000116.9
535S25.9Very low26.4Very low125 Ų125134.2 Ų134.287%0.87480%0.799SS**  trans-107.2107148.436.90000108.2
536G24.3Very low26.9Very low70 Ų70133 Ų13372%0.72279%0.793SS**  trans-82.6141.1176.700000112.3
537D21.6Very low27.6Very low160 Ų160136.1 Ų136.186%0.85679%0.794SS**  trans-48.7136.3-178-61.6-54.3000116.8
538V26.3Very low28.3Very low147 Ų147130.5 Ų130.589%0.89177%0.774SS**  trans-150.7120.8131.8-1770000110.1
539N23Very low29.5Very low148 Ų148128.8 Ų128.879%0.79176%0.759SS**  trans-50.7137.3172.8-90.9-35000115.9
540V27.2Very low31.3Very low151 Ų151125.6 Ų125.692%0.91576%0.764SS**  trans-159.1124.4130.9-174.50000111
541G28Very low33.1Very low74 Ų74125.8 Ų125.876%0.76376%0.759SS**  trans94.775.9148.800000119.1
542V26.4Very low34.3Very low110 Ų110122.3 Ų122.367%0.66774%0.742SS**  trans-87.5128.7177.2179.40000111.2
543N29.3Very low35.7Very low165 Ų165119.7 Ų119.788%0.88273%0.726SS**  trans-129110.3157.5-102.4-18.2000109.2
544P33Very low37.1Very low84 Ų84120.4 Ų120.455%0.54572%0.72SS.*PPolyproline II helixtrans-82.9127.6-171.830.3-30.6000112.1
545A37.3Very low38Very low83 Ų83115.3 Ų115.369%0.68670%0.701SS**PPolyproline II helixtrans-85.8133.817100000110.7
546Q37.5Very low38.4Very low153 Ų153114.8 Ų114.872%0.71569%0.693SS**EExtended strand (participates in β ladder)trans-95.4123.8-169.4-146.917317.200110.6
547R41.5Very low39.2Very low214 Ų214119.8 Ų119.881%0.80870%0.697SS**EExtended strand (participates in β ladder)trans-132.1150167-79.2-166.9176.8-176.30.5111.4A555R547-A555 PolarHBondContact O-N 3.4Å; R547-A555 VanDerWaalsContact O-N 3.13Å
548V41.4Very low39.9Very low90 Ų90117.2 Ų117.255%0.54569%0.691SS.*EExtended strand (participates in β ladder)trans-100.3128.7-177-177.70000108.9Y554V548-Y554 HydrophobicContact CG2-CD1 3.78Å; V548-Y554 HydrophobicContact CG2-CE1 3.76Å
549T52.7Low40.3Very low62 Ų62114.2 Ų114.238%0.3868%0.682SS.*  trans-78.4164.5175.749.90000111.5D551 G552 T553 A555T549-D551 WeakPolarHBondContact CB-OD1 3.34Å; T549-D551 PolarHBondContact O-N 3.03Å; T549-D551 VanDerWaalsContact O-N 3.13Å; T549-D551 PolarHBondContact OG1-OD1 3.22Å; T549-G552 PolarHBondContact O-N 3.04Å; T549-T553 PolarHBondContact N-O 2.92Å; T549-T553 PolarHBondContact OG1-O 3.36Å; T549-A555 HydrophobicContact CG2-CB 3.87Å
550A60.2Low40.7Very low119 Ų119115.3 Ų115.398%0.98369%0.687SS**THydrogen-bonded Turntrans-64.2-16.2-172.700000114.9
551D64.4Low40.9Very low122 Ų122113.4 Ų113.465%0.65268%0.676SS**THydrogen-bonded Turntrans-89.92.3172.367.9-30.9000113.3T549 T553T549-D551 WeakPolarHBondContact CB-OD1 3.34Å; T549-D551 PolarHBondContact O-N 3.03Å; T549-D551 VanDerWaalsContact O-N 3.13Å; T549-D551 PolarHBondContact OG1-OD1 3.22Å; D551-T553 PolarHBondContact OD1-N 2.76Å; D551-T553 PolarHBondContact OD1-OG1 3.26Å; D551-T553 PolarHBondContact OD2-OG1 3.3Å
552G48.4Very low41.1Very low47 Ų47117.9 Ų117.949%0.48568%0.682SS.*SBendtrans87.64178.300000114.8T549T549-G552 PolarHBondContact O-N 3.04Å
553T53.4Low41.1Very low78 Ų78123.2 Ų123.248%0.47969%0.69SS.*  trans-83.9141.6179.5-44.70000111.1T549 D551T549-T553 PolarHBondContact N-O 2.92Å; T549-T553 PolarHBondContact OG1-O 3.36Å; D551-T553 PolarHBondContact OD1-N 2.76Å; D551-T553 PolarHBondContact OD1-OG1 3.26Å; D551-T553 PolarHBondContact OD2-OG1 3.3Å
554Y53.3Low41Very low170 Ų170121 Ų12167%0.66769%0.687SS**EExtended strand (participates in β ladder)trans-79.5122.4174.3-60.2-83.1000109.6V548V548-Y554 HydrophobicContact CG2-CD1 3.78Å; V548-Y554 HydrophobicContact CG2-CE1 3.76Å
555A42.5Very low40.7Very low50 Ų50124.3 Ų124.341%0.41370%0.7SS.*EExtended strand (participates in β ladder)trans-119133175.800000110.9R547 T549R547-A555 PolarHBondContact O-N 3.4Å; R547-A555 VanDerWaalsContact O-N 3.13Å; T549-A555 HydrophobicContact CG2-CB 3.87Å
556T35.5Very low40.2Very low114 Ų114129.4 Ų129.470%0.69971%0.707SS**EExtended strand (participates in β ladder)trans-101.8123.5175.8500000109.6
557Q39.9Very low39.6Very low175 Ų175130.6 Ų130.682%0.81872%0.718SS**  trans-127.4128.4171.2-162.2178.629.800110.1
558S35.8Very low38.9Very low105 Ų105124.8 Ų124.873%0.73471%0.71SS**  trans-84.2118.9177.3-54.20000109.6
559A36.7Very low38.2Very low84 Ų84125.4 Ų125.469%0.69472%0.719SS**  trans-119.4125.8170.700000109.7T561A559-T561 PolarHBondContact O-N 3.23Å
560L30.7Very low37.2Very low172 Ų172128.5 Ų128.590%0.90174%0.743SS**  trans-71.5101.3177.1-179.176.4000109.5
561T31.6Very low36.1Very low110 Ų110128.5 Ų128.568%0.67573%0.73SS**  trans-117.4108174.249.80000111.6A559 R563A559-T561 PolarHBondContact O-N 3.23Å; T561-R563 PolarHBondContact O-N 2.77Å
562L32.1Very low34.9Very low169 Ų169129.8 Ų129.889%0.88574%0.737SS**  trans-71.8100.3162.6-72.3153.4000108.2
563R25.1Very low34.8Very low222 Ų222132.4 Ų132.484%0.83876%0.755SS**  trans-97.6108.3173.8-82.4-174.2151.9-166.6-7.4110.4T561T561-R563 PolarHBondContact O-N 2.77Å
564S28.5Very low35.1Very low118 Ų118131.5 Ų131.583%0.82575%0.746SS**  trans-88.3107.1160.556.20000108.8K566S564-K566 PolarHBondContact O-N 2.83Å
565N25.8Very low35.8Very low153 Ų153133.2 Ų133.282%0.81876%0.757SS**  trans-79111.2168.6-1023.8000108.7
566K26.8Very low37.8Very low191 Ų191134.2 Ų134.283%0.8375%0.75SS**  trans-172.1111.1146.5-107.4170-176.2-179.10110.4S564 S568S564-K566 PolarHBondContact O-N 2.83Å; K566-S568 PolarHBondContact O-N 2.9Å
567D26.3Very low40.2Very low177 Ų177130.8 Ų130.895%0.94773%0.729SS**  trans-74.3104.9162.9-73.2-46.7000108.8
568S26.2Very low42.5Very low92 Ų92123.6 Ų123.664%0.64370%0.697SS**  trans-159.6116.2161.857.70000111.3K566K566-S568 PolarHBondContact O-N 2.9Å
569S25.9Very low45Very low104 Ų104118.6 Ų118.673%0.72766%0.662SS**  trans51.881.1155.756.80000118.7V571S569-V571 VanDerWaalsContact C-N 3.34Å; S569-V571 PolarHBondContact O-N 2.93Å
570S31.3Very low47.4Very low127 Ų127114.9 Ų114.989%0.88863%0.631SS**THydrogen-bonded Turntrans10.420.7142.965.50000125.7
571V37.2Very low50.1Low119 Ų119107.5 Ų107.572%0.72160%0.595SS**THydrogen-bonded Turntrans-128.3-19.5172.2-174.50000115.4S569S569-V571 VanDerWaalsContact C-N 3.34Å; S569-V571 PolarHBondContact O-N 2.93Å
572N39.5Very low52.8Low148 Ų148102.3 Ų102.379%0.79156%0.563SS**  trans-105.715.4-172.4-77.2-12000116.8I574N572-I574 VanDerWaalsContact C-N 3.29Å; N572-I574 PolarHBondContact O-N 3Å
573A47.3Very low55.4Low103 Ų10394.2 Ų94.285%0.85152%0.521SS*.  trans-84.416.1-175.600000115.6K575A573-K575 PolarHBondContact O-N 3.4Å
574I58.8Low58.3Low59 Ų5984.5 Ų84.530%0.30349%0.485SS..  trans-84.2109.3173.9-57.1174.6000108.2N572 R576N572-I574 VanDerWaalsContact C-N 3.29Å; N572-I574 PolarHBondContact O-N 3Å; I574-R576 HydrophobicContact CG2-CG 4.17Å; I574-R576 PolarHBondContact O-N 2.9Å
575K68.8Low60.9Low205 Ų20583.5 Ų83.589%0.89147%0.467SS*.  trans-68.391.1174-73.6-172.8177.8-175.60110A573A573-K575 PolarHBondContact O-N 3.4Å
576R83.2Confident63.6Low72 Ų7277.4 Ų77.427%0.27244%0.436SS..  trans-82146.2170.8-66.7-173.4174.6950.5110E509 I574 Q580 A581E509-R576 IonicContact OE1-NH2 2.68Å; E509-R576 PolarHBondContact OE1-NH2 3.26Å; E509-R576 IonicContact OE2-NH2 3.88Å; I574-R576 HydrophobicContact CG2-CG 4.17Å; I574-R576 PolarHBondContact O-N 2.9Å; R576-Q580 HydrophobicContact CB-CB 4.38Å; R576-Q580 HydrophobicContact CB-CG 4.44Å; R576-A581 HydrophobicContact CB-CB 4.08Å
577P86.3Confident66.4Low41 Ų4172.8 Ų72.827%0.26642%0.417SS..  trans-53.4152.7165.3-28.238.3000111.9V499 L579 Q580 A581V499-P577 VanDerWaalsContact C-CB 3.41Å; V499-P577 CarbonylContact O-C 3.36Å; V499-P577 WeakPolarHBondContact O-CB 3.43Å; P577-L579 PolarHBondContact O-N 3.1Å; P577-Q580 HydrophobicContact CB-CB 4.22Å; P577-Q580 CarbonylContact O-C 3.58Å; P577-Q580 WeakPolarHBondContact O-CB 3.47Å; P577-Q580 PolarHBondContact O-N 3.32Å; P577-Q580 VanDerWaalsContact O-N 3.13Å; P577-A581 WeakPolarHBondContact O-CB 3.47Å; P577-A581 PolarHBondContact O-N 2.91Å
578V88.1Confident69.5Low24 Ų2464.4 Ų64.415%0.14537%0.372CS..Hα-helixtrans-57.8-47.4-167.4167.80000114P464 I466 L472 A581 A582P464-V578 WeakPolarHBondContact O-CG2 3.38Å; I466-V578 WeakPolarHBondContact O-CG1 3.21Å; L472-V578 HydrophobicContact CD1-CG1 3.51Å; L472-V578 HydrophobicContact CD2-CG1 3.61Å; L472-V578 HydrophobicContact CG-CG1 4.13Å; V578-A581 PolarHBondContact O-N 3.36Å; V578-A582 PolarHBondContact O-N 3.4Å; V578-A582 VanDerWaalsContact O-N 3.16Å
579L87.7Confident72.6Confident0 Ų062.7 Ų62.70%036%0.355CS..Hα-helixtrans-71.2-37.3179.8-176.663.4000110.6V499 I500 P577 A582 L583 P590 L594V499-L579 HydrophobicContact CB-CB 4.3Å; V499-L579 HydrophobicContact CG2-CB 4Å; V499-L579 HydrophobicContact CG2-CD2 4.42Å; V499-L579 WeakPolarHBondContact O-CB 3.37Å; V499-L579 PolarHBondContact O-N 3.16Å; I500-L579 HydrophobicContact CB-CD2 4.34Å; I500-L579 HydrophobicContact CD1-CD2 4.32Å; I500-L579 HydrophobicContact CG1-CD2 4.24Å; P577-L579 PolarHBondContact O-N 3.1Å; L579-A582 PolarHBondContact O-N 3.4Å; L579-L583 HydrophobicContact CG-CD1 4.45Å; L579-L583 VanDerWaalsContact O-CG 3.32Å; L579-L583 WeakPolarHBondContact O-CG 3.34Å; L579-L583 PolarHBondContact O-N 3.44Å; L579-P590 HydrophobicContact CD1-CB 3.78Å; L579-L594 HydrophobicContact CD2-CD2 3.63Å
580Q89.1Confident75.7Confident6 Ų657.8 Ų57.83%0.02832%0.321CS..Hα-helixtrans-59.7-47.3173.7-167.1-178.47600111.2V499 I500 R576 P577 A582 L583 F584V499-Q580 PolarHBondContact O-N 2.95Å; I500-Q580 WeakPolarHBondContact O-CB 3.46Å; I500-Q580 PolarHBondContact O-NE2 3.01Å; I500-Q580 VanDerWaalsContact O-NE2 3.1Å; R576-Q580 HydrophobicContact CB-CB 4.38Å; R576-Q580 HydrophobicContact CB-CG 4.44Å; P577-Q580 HydrophobicContact CB-CB 4.22Å; P577-Q580 CarbonylContact O-C 3.58Å; P577-Q580 WeakPolarHBondContact O-CB 3.47Å; P577-Q580 PolarHBondContact O-N 3.32Å; P577-Q580 VanDerWaalsContact O-N 3.13Å; Q580-A582 VanDerWaalsContact C-N 3.31Å; Q580-A582 PolarHBondContact O-N 3.3Å; Q580-L583 PolarHBondContact O-N 2.71Å; Q580-L583 VanDerWaalsContact O-N 3.14Å; Q580-F584 HydrophobicContact CG-CD2 3.7Å; Q580-F584 HydrophobicContact CG-CE2 3.64Å; Q580-F584 WeakPolarHBondContact O-CD2 3.28Å; Q580-F584 PolarHBondContact O-N 3.47Å
581A87.3Confident78.6Confident18 Ų1851.8 Ų51.815%0.14928%0.278CS..Hα-helixtrans-56.5-45.4177.700000111.4R576 P577 V578 L583 F584 E585R576-A581 HydrophobicContact CB-CB 4.08Å; P577-A581 WeakPolarHBondContact O-CB 3.47Å; P577-A581 PolarHBondContact O-N 2.91Å; V578-A581 PolarHBondContact O-N 3.36Å; A581-L583 PolarHBondContact O-N 2.84Å; A581-F584 PolarHBondContact O-N 3.46Å; A581-E585 WeakPolarHBondContact O-CG 3.38Å; A581-E585 PolarHBondContact O-N 2.98Å; A581-E585 VanDerWaalsContact O-N 3.07Å
582A86.7Confident81.3Confident0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-59.6-42.7176.100000112.9L472 V578 L579 Q580 E585 H587L472-A582 HydrophobicContact CD1-CB 4.4Å; V578-A582 PolarHBondContact O-N 3.4Å; V578-A582 VanDerWaalsContact O-N 3.16Å; L579-A582 PolarHBondContact O-N 3.4Å; Q580-A582 VanDerWaalsContact C-N 3.31Å; Q580-A582 PolarHBondContact O-N 3.3Å; A582-E585 PolarHBondContact O-N 3.18Å; A582-H587 WeakPolarHBondContact O-CB 3.32Å; A582-H587 PolarHBondContact O-N 3.45Å
583L88.2Confident84Confident0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-67.5-38.4178.1-65.4171.8000112.4I500 L505 L579 Q580 A581 E585 S586 Y588 M644 L647 L653I500-L583 HydrophobicContact CG1-CD1 4.46Å; L505-L583 HydrophobicContact CD1-CD1 4.47Å; L579-L583 HydrophobicContact CG-CD1 4.45Å; L579-L583 VanDerWaalsContact O-CG 3.32Å; L579-L583 WeakPolarHBondContact O-CG 3.34Å; L579-L583 PolarHBondContact O-N 3.44Å; Q580-L583 PolarHBondContact O-N 2.71Å; Q580-L583 VanDerWaalsContact O-N 3.14Å; A581-L583 PolarHBondContact O-N 2.84Å; L583-E585 VanDerWaalsContact C-N 3.3Å; L583-E585 PolarHBondContact O-N 2.99Å; L583-S586 PolarHBondContact O-N 3.26Å; L583-S586 VanDerWaalsContact O-N 3.11Å; L583-Y588 HydrophobicContact CB-CE2 4.42Å; L583-Y588 HydrophobicContact CD2-CD1 3.76Å; L583-Y588 HydrophobicContact CD2-CD2 4.31Å; L583-Y588 HydrophobicContact CD2-CE1 3.7Å; L583-Y588 HydrophobicContact CD2-CE2 4.27Å; L583-Y588 HydrophobicContact CD2-CG 4.05Å; L583-Y588 WeakPolarHBondContact O-CE2 3.35Å; L583-M644 HydrophobicContact CD1-CE 4.2Å; L583-M644 HydrophobicContact CD1-CG 3.87Å; L583-M644 HydrophobicContact CD2-CE 4.12Å; L583-L647 HydrophobicContact CB-CD2 4.03Å; L583-L653 WeakPolarHBondContact O-CD2 3.43Å
584F86Confident86.3Confident18 Ų1836 Ų368%0.07918%0.177CC..Hα-helixtrans-69-27.6176.6-89.4-88.4000113.2E509 Q580 A581 S586 L647 L653E509-F584 HydrophobicContact CB-CZ 4.18Å; E509-F584 HydrophobicContact CG-CE1 4.07Å; E509-F584 HydrophobicContact CG-CZ 3.9Å; Q580-F584 HydrophobicContact CG-CD2 3.7Å; Q580-F584 HydrophobicContact CG-CE2 3.64Å; Q580-F584 WeakPolarHBondContact O-CD2 3.28Å; Q580-F584 PolarHBondContact O-N 3.47Å; A581-F584 PolarHBondContact O-N 3.46Å; F584-S586 PolarHBondContact O-N 3.46Å; F584-L647 HydrophobicContact CD2-CD2 4.12Å; F584-L647 HydrophobicContact CE1-CD1 4.07Å; F584-L647 HydrophobicContact CE2-CD1 4.22Å; F584-L647 HydrophobicContact CE2-CD2 3.94Å; F584-L647 HydrophobicContact CZ-CD1 3.81Å; F584-L647 HydrophobicContact CZ-CD2 4.38Å; F584-L653 HydrophobicContact CD1-CD2 4.21Å; F584-L653 HydrophobicContact CG-CD2 4.47Å
585E82.9Confident88Confident96 Ų9633.2 Ų33.245%0.44916%0.163SC..THydrogen-bonded Turntrans-79.99.9171.4-70.5170-167.800113.1R469 A581 A582 L583 H587R469-E585 IonicContact CZ-OE1 3.65Å; R469-E585 IonicContact CZ-OE2 2.84Å; R469-E585 VanDerWaalsContact CZ-OE2 3.29Å; R469-E585 IonicContact NE-OE2 2.77Å; R469-E585 PolarHBondContact NE-OE2 3.21Å; R469-E585 IonicContact NH2-OE1 2.69Å; R469-E585 PolarHBondContact NH2-OE1 2.99Å; R469-E585 IonicContact NH2-OE2 2.62Å; R469-E585 PolarHBondContact NH2-OE2 3.01Å; A581-E585 WeakPolarHBondContact O-CG 3.38Å; A581-E585 PolarHBondContact O-N 2.98Å; A581-E585 VanDerWaalsContact O-N 3.07Å; A582-E585 PolarHBondContact O-N 3.18Å; L583-E585 VanDerWaalsContact C-N 3.3Å; L583-E585 PolarHBondContact O-N 2.99Å; E585-H587 PolarHBondContact O-N 3.13Å; E585-H587 PolarHBondContact O-ND1 3.06Å; E585-H587 IonicContact OE2-ND1 3.18Å
586S81.5Confident89.2Confident25 Ų2524.8 Ų24.818%0.17513%0.132CC..THydrogen-bonded Turntrans63.214.7-177.2-58.20000115L583 F584 Y588 H655L583-S586 PolarHBondContact O-N 3.26Å; L583-S586 VanDerWaalsContact O-N 3.11Å; F584-S586 PolarHBondContact O-N 3.46Å; S586-Y588 PolarHBondContact O-N 2.98Å; S586-Y588 VanDerWaalsContact O-N 3.16Å; S586-H655 PolarHBondContact OG-O 3.15Å; S586-H655 VanDerWaalsContact OG-O 3.1Å
587H86Confident89.8Confident94 Ų9421.5 Ų21.544%0.43512%0.119SC..  trans-84.981.9171.7-66.899.5000111R469 A582 E585 P590R469-H587 HydrophobicContact CB-CB 4.46Å; R469-H587 HydrophobicContact CG-CB 4.46Å; A582-H587 WeakPolarHBondContact O-CB 3.32Å; A582-H587 PolarHBondContact O-N 3.45Å; E585-H587 PolarHBondContact O-N 3.13Å; E585-H587 PolarHBondContact O-ND1 3.06Å; E585-H587 IonicContact OE2-ND1 3.18Å; H587-P590 WeakPolarHBondContact O-CD 3.34Å
588Y90.8Very high90.2Very high1 Ų119.5 Ų19.50%0.00411%0.107CC..  trans-83.4-8.2-173.2-90.6-104.6000115.8L583 S586 G591 V592 L647 A648 L653 V657 M665L583-Y588 HydrophobicContact CB-CE2 4.42Å; L583-Y588 HydrophobicContact CD2-CD1 3.76Å; L583-Y588 HydrophobicContact CD2-CD2 4.31Å; L583-Y588 HydrophobicContact CD2-CE1 3.7Å; L583-Y588 HydrophobicContact CD2-CE2 4.27Å; L583-Y588 HydrophobicContact CD2-CG 4.05Å; L583-Y588 WeakPolarHBondContact O-CE2 3.35Å; S586-Y588 PolarHBondContact O-N 2.98Å; S586-Y588 VanDerWaalsContact O-N 3.16Å; Y588-G591 CarbonylContact O-C 3.56Å; Y588-G591 VanDerWaalsContact O-CA 3.3Å; Y588-G591 WeakPolarHBondContact O-CA 3.35Å; Y588-G591 PolarHBondContact O-N 3.45Å; Y588-V592 WeakPolarHBondContact O-CG2 3.31Å; Y588-V592 PolarHBondContact O-N 3.2Å; Y588-L647 WeakPolarHBondContact OH-CG 3.32Å; Y588-A648 HydrophobicContact CD1-CB 4.37Å; Y588-A648 HydrophobicContact CE1-CB 3.59Å; Y588-A648 HydrophobicContact CE2-CB 4.46Å; Y588-A648 WeakPolarHBondContact OH-CA 3.13Å; Y588-A648 PolarHBondContact OH-N 3.22Å; Y588-L653 HydrophobicContact CE2-CD1 3.77Å; Y588-L653 WeakPolarHBondContact OH-CD1 3.39Å; Y588-V657 HydrophobicContact CD1-CG1 4.08Å; Y588-V657 HydrophobicContact CD2-CB 4.28Å; Y588-V657 HydrophobicContact CD2-CG1 3.73Å; Y588-V657 HydrophobicContact CD2-CG2 3.48Å; Y588-V657 VanDerWaalsContact CD2-CG2 3.48Å; Y588-V657 HydrophobicContact CE2-CG1 4.37Å; Y588-V657 HydrophobicContact CE2-CG2 3.38Å; Y588-V657 HydrophobicContact CG-CG1 3.57Å; Y588-V657 HydrophobicContact CG-CG2 4.14Å; Y588-M665 HydrophobicContact CD1-SD 4.17Å
589M91.1Very high90.5Very high57 Ų5718.4 Ų18.428%0.28110%0.1SC..Hα-helixtrans-56.5-45.7-177.6-84.1-61.8-16800114.4G591 V592 V593 H661M589-G591 PolarHBondContact O-N 3.19Å; M589-V592 PolarHBondContact O-N 3.25Å; M589-V593 WeakPolarHBondContact O-CG2 3.29Å; M589-V593 PolarHBondContact O-N 3.48Å; M589-H661 WeakPolarHBondContact CE-NE2 3.45Å
590P91.9Very high90.8Very high1 Ų118.9 Ų18.91%0.00610%0.102CC..Hα-helixtrans-55.9-34.5171.6-26.135.4000112.6R469 L472 R473 L579 H587 L594R469-P590 WeakPolarHBondContact O-CG 3.5Å; L472-P590 HydrophobicContact CB-CB 4.28Å; L472-P590 HydrophobicContact CB-CG 4.16Å; R473-P590 HydrophobicContact CB-CG 4.16Å; L579-P590 HydrophobicContact CD1-CB 3.78Å; H587-P590 WeakPolarHBondContact O-CD 3.34Å; P590-L594 VanDerWaalsContact O-CB 3.32Å; P590-L594 WeakPolarHBondContact O-CB 3.21Å; P590-L594 PolarHBondContact O-N 2.87Å
591G92.2Very high91Very high0 Ų018.6 Ų18.60%010%0.101CC..Hα-helixtrans-74.1-37.5178.600000114.5Y588 M589 V593 L594 S595 M644Y588-G591 CarbonylContact O-C 3.56Å; Y588-G591 VanDerWaalsContact O-CA 3.3Å; Y588-G591 WeakPolarHBondContact O-CA 3.35Å; Y588-G591 PolarHBondContact O-N 3.45Å; M589-G591 PolarHBondContact O-N 3.19Å; G591-V593 VanDerWaalsContact C-N 3.34Å; G591-L594 PolarHBondContact O-N 3.33Å; G591-S595 PolarHBondContact O-N 2.93Å; G591-S595 PolarHBondContact O-OG 3.23Å; G591-M644 WeakPolarHBondContact O-CE 3.15Å
592V94.6Very high91.4Very high16 Ų1617.8 Ų17.810%0.0979%0.094CC..Hα-helixtrans-61.6-47.1171.8177.10000109.9Y588 M589 S595 A596 H661 R664 M665Y588-V592 WeakPolarHBondContact O-CG2 3.31Å; Y588-V592 PolarHBondContact O-N 3.2Å; M589-V592 PolarHBondContact O-N 3.25Å; V592-S595 WeakPolarHBondContact O-CB 3.49Å; V592-S595 PolarHBondContact O-N 3.1Å; V592-A596 PolarHBondContact O-N 2.95Å; V592-H661 HydrophobicContact CG2-CB 3.52Å; V592-R664 HydrophobicContact CG1-CB 3.94Å; V592-M665 HydrophobicContact CG2-CG 4.1Å; V592-M665 HydrophobicContact CG2-SD 4.16Å
593V94.7Very high91.6Very high23 Ų2319.4 Ų19.414%0.13910%0.1CC..Hα-helixtrans-63.1-45.6177.3173.30000110.8R473 V476 W477 M589 G591 S595 A596 C597R473-V593 HydrophobicContact CG-CB 4.39Å; R473-V593 HydrophobicContact CG-CG2 3.62Å; V476-V593 HydrophobicContact CB-CG1 4.31Å; V476-V593 HydrophobicContact CG1-CG1 4.01Å; W477-V593 HydrophobicContact CB-CG1 3.67Å; W477-V593 HydrophobicContact CG-CG1 4.43Å; M589-V593 WeakPolarHBondContact O-CG2 3.29Å; M589-V593 PolarHBondContact O-N 3.48Å; G591-V593 VanDerWaalsContact C-N 3.34Å; V593-S595 PolarHBondContact O-N 2.98Å; V593-A596 PolarHBondContact O-N 3.11Å; V593-A596 VanDerWaalsContact O-N 3.13Å; V593-C597 PolarHBondContact O-N 3.37Å; V593-C597 PolarHBondContact O-SG 2.98Å
594L95.9Very high91.8Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-54.9-42.917517959.2000111.5V476 F492 I496 L579 P590 G591 A596 C597 L598 I640 M644V476-L594 HydrophobicContact CG1-CB 3.83Å; V476-L594 HydrophobicContact CG1-CD1 4.06Å; F492-L594 HydrophobicContact CE1-CD1 4.11Å; F492-L594 HydrophobicContact CZ-CD1 3.94Å; I496-L594 HydrophobicContact CD1-CD1 3.75Å; I496-L594 HydrophobicContact CD1-CD2 4.23Å; I496-L594 HydrophobicContact CG1-CD1 3.99Å; I496-L594 HydrophobicContact CG2-CD1 4.44Å; I496-L594 HydrophobicContact CG2-CD2 3.99Å; L579-L594 HydrophobicContact CD2-CD2 3.63Å; P590-L594 VanDerWaalsContact O-CB 3.32Å; P590-L594 WeakPolarHBondContact O-CB 3.21Å; P590-L594 PolarHBondContact O-N 2.87Å; G591-L594 PolarHBondContact O-N 3.33Å; L594-A596 VanDerWaalsContact C-N 3.34Å; L594-A596 PolarHBondContact O-N 2.92Å; L594-C597 WeakPolarHBondContact O-CB 3.25Å; L594-C597 PolarHBondContact O-N 3.32Å; L594-C597 VanDerWaalsContact O-N 3.15Å; L594-L598 HydrophobicContact CD1-CD1 4.41Å; L594-L598 HydrophobicContact CD1-CD2 4.44Å; L594-L598 HydrophobicContact CD1-CG 4.12Å; L594-L598 HydrophobicContact CG-CD1 4.12Å; L594-L598 HydrophobicContact CG-CG 4.31Å; L594-L598 VanDerWaalsContact O-CG 3.29Å; L594-L598 WeakPolarHBondContact O-CG 3.46Å; L594-L598 PolarHBondContact O-N 3.12Å; L594-I640 HydrophobicContact CD2-CG2 4.15Å; L594-M644 HydrophobicContact CD2-CE 4.36Å; L594-M644 HydrophobicContact CD2-SD 4.07Å
595S95.9Very high92.1Very high0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-60.5-43.5179.2-57.60000111.9G591 V592 V593 L598 V599 M665G591-S595 PolarHBondContact O-N 2.93Å; G591-S595 PolarHBondContact O-OG 3.23Å; V592-S595 WeakPolarHBondContact O-CB 3.49Å; V592-S595 PolarHBondContact O-N 3.1Å; V593-S595 PolarHBondContact O-N 2.98Å; S595-L598 PolarHBondContact O-N 3.48Å; S595-V599 WeakPolarHBondContact O-CG2 3.29Å; S595-V599 PolarHBondContact O-N 2.91Å; S595-M665 WeakPolarHBondContact OG-CG 3.36Å
596A94.1Very high92.5Very high29 Ų2915.3 Ų15.324%0.248%0.081CC..Hα-helixtrans-67.4-38.7174.300000112.3V592 V593 L594 V599 K600 F683V592-A596 PolarHBondContact O-N 2.95Å; V593-A596 PolarHBondContact O-N 3.11Å; V593-A596 VanDerWaalsContact O-N 3.13Å; L594-A596 VanDerWaalsContact C-N 3.34Å; L594-A596 PolarHBondContact O-N 2.92Å; A596-V599 WeakPolarHBondContact O-CB 3.45Å; A596-V599 PolarHBondContact O-N 3.16Å; A596-K600 PolarHBondContact O-N 2.93Å; A596-F683 HydrophobicContact CB-CE1 4.46Å
597C94.6Very high92.8Very high2 Ų217.9 Ų17.91%0.0149%0.092CC..Hα-helixtrans-61.5-42.6175.2-65.40000111.7V476 V593 L594 V599 K600 L601V476-C597 PolarHBondContact O-SG 3.22Å; V476-C597 VanDerWaalsContact O-SG 3.39Å; V593-C597 PolarHBondContact O-N 3.37Å; V593-C597 PolarHBondContact O-SG 2.98Å; L594-C597 WeakPolarHBondContact O-CB 3.25Å; L594-C597 PolarHBondContact O-N 3.32Å; L594-C597 VanDerWaalsContact O-N 3.15Å; C597-V599 VanDerWaalsContact C-N 3.27Å; C597-V599 PolarHBondContact O-N 3.19Å; C597-K600 WeakPolarHBondContact O-CB 3.34Å; C597-K600 PolarHBondContact O-N 2.99Å; C597-K600 VanDerWaalsContact O-N 3.14Å; C597-L601 VanDerWaalsContact O-CG 3.28Å; C597-L601 WeakPolarHBondContact O-CG 3.35Å; C597-L601 PolarHBondContact O-N 3.48Å
598L95.6Very high93Very high0 Ų014.9 Ų14.90%08%0.079CC..Hα-helixtrans-61.7-34.3178-70.3170.9000112.5M493 L594 S595 F602 C637 I640 I641M493-L598 HydrophobicContact CE-CD2 4.08Å; M493-L598 HydrophobicContact SD-CD2 3.62Å; L594-L598 HydrophobicContact CD1-CD1 4.41Å; L594-L598 HydrophobicContact CD1-CD2 4.44Å; L594-L598 HydrophobicContact CD1-CG 4.12Å; L594-L598 HydrophobicContact CG-CD1 4.12Å; L594-L598 HydrophobicContact CG-CG 4.31Å; L594-L598 VanDerWaalsContact O-CG 3.29Å; L594-L598 WeakPolarHBondContact O-CG 3.46Å; L594-L598 PolarHBondContact O-N 3.12Å; S595-L598 PolarHBondContact O-N 3.48Å; L598-F602 VanDerWaalsContact O-CB 3.31Å; L598-F602 WeakPolarHBondContact O-CB 3.37Å; L598-F602 PolarHBondContact O-N 3.48Å; L598-C637 HydrophobicContact CB-CB 4.1Å; L598-C637 HydrophobicContact CD2-CB 4.44Å; L598-I640 HydrophobicContact CD1-CB 4.02Å; L598-I640 HydrophobicContact CD1-CD1 4.38Å; L598-I640 HydrophobicContact CD1-CG2 3.83Å; L598-I640 HydrophobicContact CD2-CD1 4.31Å; L598-I641 HydrophobicContact CB-CD1 4.39Å; L598-I641 HydrophobicContact CD1-CD1 4.14Å; L598-I641 HydrophobicContact CD1-CG1 3.74Å
599V94.5Very high92.8Very high0 Ų014.9 Ų14.90%08%0.079CC..Hα-helixtrans-62.8-48.6172.6177.10000110.8S595 A596 C597 F602 Y603 C668 I671 L672 L680 F683S595-V599 WeakPolarHBondContact O-CG2 3.29Å; S595-V599 PolarHBondContact O-N 2.91Å; A596-V599 WeakPolarHBondContact O-CB 3.45Å; A596-V599 PolarHBondContact O-N 3.16Å; C597-V599 VanDerWaalsContact C-N 3.27Å; C597-V599 PolarHBondContact O-N 3.19Å; V599-F602 PolarHBondContact O-N 3.38Å; V599-Y603 PolarHBondContact O-N 2.91Å; V599-C668 HydrophobicContact CG2-CB 3.71Å; V599-I671 HydrophobicContact CG1-CG2 3.8Å; V599-L672 HydrophobicContact CG2-CD1 4.41Å; V599-L672 HydrophobicContact CG2-CD2 4.39Å; V599-L672 HydrophobicContact CG2-CG 4.07Å; V599-L680 HydrophobicContact CG1-CD2 3.7Å; V599-F683 HydrophobicContact CB-CD1 4.25Å; V599-F683 HydrophobicContact CG1-CB 4.2Å; V599-F683 HydrophobicContact CG1-CD1 3.96Å; V599-F683 HydrophobicContact CG1-CG 4.03Å
600K93.5Very high92.5Very high10 Ų1017.3 Ų17.34%0.0439%0.088CC..Hα-helixtrans-60.4-47.7177.5-66.4176.4176.6-1720112E481 A596 C597 F602 Y603 R604 F683 E684 S687E481-K600 IonicContact OE2-NZ 2.67Å; E481-K600 PolarHBondContact OE2-NZ 3Å; A596-K600 PolarHBondContact O-N 2.93Å; C597-K600 WeakPolarHBondContact O-CB 3.34Å; C597-K600 PolarHBondContact O-N 2.99Å; C597-K600 VanDerWaalsContact O-N 3.14Å; K600-F602 VanDerWaalsContact C-N 3.34Å; K600-F602 PolarHBondContact O-N 2.87Å; K600-Y603 WeakPolarHBondContact O-CB 3.48Å; K600-Y603 PolarHBondContact O-N 2.88Å; K600-R604 WeakPolarHBondContact O-CG 3.11Å; K600-R604 PolarHBondContact O-N 3.11Å; K600-F683 WeakPolarHBondContact CE-O 3.13Å; K600-E684 WeakPolarHBondContact CB-OE2 3.28Å; K600-S687 VanDerWaalsContact CE-OG 3.29Å; K600-S687 WeakPolarHBondContact CE-OG 3.27Å; K600-S687 PolarHBondContact NZ-OG 2.93Å
601L93.6Very high92Very high0 Ų022.1 Ų22.10%011%0.11CC..Hα-helixtrans-64.4-38.4179.3-63.3175.9000111.7C483 I489 F492 C597 R604 Y605 F633C483-L601 HydrophobicContact CB-CD2 3.83Å; I489-L601 HydrophobicContact CG1-CD2 4.07Å; I489-L601 HydrophobicContact CG2-CB 4.42Å; F492-L601 HydrophobicContact CD1-CD1 3.31Å; F492-L601 HydrophobicContact CE1-CD1 3.5Å; F492-L601 HydrophobicContact CG-CD1 4.45Å; C597-L601 VanDerWaalsContact O-CG 3.28Å; C597-L601 WeakPolarHBondContact O-CG 3.35Å; C597-L601 PolarHBondContact O-N 3.48Å; L601-R604 PolarHBondContact O-N 3.23Å; L601-Y605 WeakPolarHBondContact O-CB 3.22Å; L601-Y605 PolarHBondContact O-N 2.9Å; L601-F633 HydrophobicContact CB-CZ 4.43Å
602F94.2Very high91.4Very high1 Ų126 Ų260%0.00413%0.128CC..Hα-helixtrans-60.1-45.8172.7169.8-99.5000111.5L598 V599 K600 Y605 S606 E630 F633 A634 L672 R675 L680L598-F602 VanDerWaalsContact O-CB 3.31Å; L598-F602 WeakPolarHBondContact O-CB 3.37Å; L598-F602 PolarHBondContact O-N 3.48Å; V599-F602 PolarHBondContact O-N 3.38Å; K600-F602 VanDerWaalsContact C-N 3.34Å; K600-F602 PolarHBondContact O-N 2.87Å; F602-Y605 PolarHBondContact O-N 3.23Å; F602-S606 WeakPolarHBondContact O-CB 3.31Å; F602-S606 PolarHBondContact O-N 3.12Å; F602-E630 HydrophobicContact CE2-CG 3.84Å; F602-E630 HydrophobicContact CZ-CG 4.11Å; F602-F633 HydrophobicContact CB-CD1 4.31Å; F602-F633 HydrophobicContact CB-CE1 4.19Å; F602-F633 HydrophobicContact CD2-CD1 4.05Å; F602-A634 HydrophobicContact CD2-CB 3.87Å; F602-A634 HydrophobicContact CE2-CB 3.56Å; F602-A634 HydrophobicContact CZ-CB 4.31Å; F602-L672 HydrophobicContact CB-CD2 3.57Å; F602-L672 HydrophobicContact CD1-CD2 3.74Å; F602-L672 HydrophobicContact CD2-CD2 4.41Å; F602-L672 HydrophobicContact CG-CD2 3.63Å; F602-R675 HydrophobicContact CE1-CG 4.1Å; F602-R675 HydrophobicContact CZ-CG 4.16Å; F602-L680 HydrophobicContact CD1-CD1 4.27Å; F602-L680 HydrophobicContact CD1-CD2 4.11Å; F602-L680 HydrophobicContact CE1-CD1 3.91Å; F602-L680 HydrophobicContact CE1-CD2 4.48Å
603Y92.6Very high90.4Very high34 Ų3428.5 Ų28.513%0.13314%0.139CC..Hα-helixtrans-60.2-48.8177.1178.2-108.1000111.9V599 K600 Y605 S606 L607 L680 E681 E684V599-Y603 PolarHBondContact O-N 2.91Å; K600-Y603 WeakPolarHBondContact O-CB 3.48Å; K600-Y603 PolarHBondContact O-N 2.88Å; Y603-Y605 PolarHBondContact O-N 3.12Å; Y603-S606 PolarHBondContact O-N 3.12Å; Y603-L607 PolarHBondContact O-N 3.02Å; Y603-L680 HydrophobicContact CD2-CB 3.43Å; Y603-L680 VanDerWaalsContact CD2-CB 3.43Å; Y603-L680 HydrophobicContact CD2-CD1 4.25Å; Y603-L680 HydrophobicContact CD2-CG 4.43Å; Y603-L680 HydrophobicContact CE2-CB 4.08Å; Y603-L680 HydrophobicContact CG-CB 4Å; Y603-E681 HydrophobicContact CE2-CB 4.34Å; Y603-E684 HydrophobicContact CD1-CB 3.8Å; Y603-E684 HydrophobicContact CD1-CG 4Å; Y603-E684 HydrophobicContact CE1-CB 4.07Å; Y603-E684 HydrophobicContact CE1-CG 4.13Å
604R91.7Very high89.2Confident15 Ų1535.1 Ų35.16%0.05717%0.17CC..Hα-helixtrans-60.9-44.2176.4-67.7-175.5-169.6135.915.5112.1G480 E481 C483 I489 K600 L601 S606 L607 I608 E684G480-R604 PolarHBondContact O-NH1 3.25Å; G480-R604 PolarHBondContact O-NH2 3.46Å; E481-R604 PolarHBondContact O-NH1 3.38Å; E481-R604 PolarHBondContact O-NH2 3.45Å; E481-R604 IonicContact OE1-NH2 3.4Å; C483-R604 WeakPolarHBondContact O-CD 3.4Å; C483-R604 PolarHBondContact O-NH1 3.09Å; I489-R604 HydrophobicContact CD1-CB 4.15Å; K600-R604 WeakPolarHBondContact O-CG 3.11Å; K600-R604 PolarHBondContact O-N 3.11Å; L601-R604 PolarHBondContact O-N 3.23Å; R604-S606 PolarHBondContact O-N 2.89Å; R604-L607 WeakPolarHBondContact O-CB 3.11Å; R604-L607 PolarHBondContact O-N 3.45Å; R604-L607 VanDerWaalsContact O-N 3.17Å; R604-I608 VanDerWaalsContact O-CG1 3.3Å; R604-I608 WeakPolarHBondContact O-CG1 3.44Å; R604-I608 PolarHBondContact O-N 3.28Å; R604-E684 IonicContact CZ-OE1 3.05Å; R604-E684 IonicContact CZ-OE2 3.81Å; R604-E684 VanDerWaalsContact CZ-OE2 3.25Å; R604-E684 IonicContact NE-OE1 3.49Å; R604-E684 PolarHBondContact NE-OE1 2.88Å; R604-E684 IonicContact NE-OE2 3.5Å; R604-E684 PolarHBondContact NE-OE2 2.85Å; R604-E684 IonicContact NH2-OE1 3.97Å; R604-E684 PolarHBondContact NH2-OE1 3.31Å; R604-E684 IonicContact NH2-OE2 3.14Å; R604-E684 PolarHBondContact NH2-OE2 2.92Å
605Y91.9Very high88Confident11 Ų1143.5 Ų43.54%0.04321%0.207CC..Hα-helixtrans-60.9-44.4177.3-170.9-94.7000111.4Y486 I489 L601 F602 Y603 L607 I608 L609 F633Y486-Y605 HydrophobicContact CD2-CD2 4.08Å; Y486-Y605 AromaticContact CD2-CE2 3.63Å; Y486-Y605 HydrophobicContact CD2-CE2 3.63Å; Y486-Y605 HydrophobicContact CE2-CD2 4.02Å; Y486-Y605 AromaticContact CE2-CE2 3.12Å; Y486-Y605 HydrophobicContact CE2-CE2 3.12Å; Y486-Y605 AromaticContact CE2-CZ 3.59Å; Y486-Y605 WeakPolarHBondContact CE2-OH 3.26Å; Y486-Y605 AromaticContact CZ-CE2 3.98Å; Y486-Y605 PolarHBondContact OH-OH 3.49Å; I489-Y605 HydrophobicContact CG2-CD2 4.2Å; L601-Y605 WeakPolarHBondContact O-CB 3.22Å; L601-Y605 PolarHBondContact O-N 2.9Å; F602-Y605 PolarHBondContact O-N 3.23Å; Y603-Y605 PolarHBondContact O-N 3.12Å; Y605-L607 VanDerWaalsContact C-N 3.34Å; Y605-L607 PolarHBondContact O-N 2.99Å; Y605-I608 PolarHBondContact O-N 3.23Å; Y605-L609 HydrophobicContact CD1-CD1 3.71Å; Y605-L609 HydrophobicContact CD1-CG 4.25Å; Y605-L609 HydrophobicContact CE1-CD1 3.41Å; Y605-L609 VanDerWaalsContact CE1-CD1 3.41Å; Y605-L609 HydrophobicContact CE1-CG 4.08Å; Y605-L609 WeakPolarHBondContact O-CB 3.4Å; Y605-L609 WeakPolarHBondContact O-CG 3.22Å; Y605-L609 PolarHBondContact O-N 3.21Å; Y605-F633 HydrophobicContact CD1-CB 3.79Å; Y605-F633 AromaticContact CD1-CD1 3.87Å; Y605-F633 HydrophobicContact CD1-CD1 3.87Å; Y605-F633 HydrophobicContact CD1-CD2 4.18Å; Y605-F633 AromaticContact CD1-CG 3.67Å; Y605-F633 HydrophobicContact CD1-CG 3.67Å; Y605-F633 HydrophobicContact CD2-CD2 4.07Å; Y605-F633 HydrophobicContact CD2-CE2 4.07Å; Y605-F633 HydrophobicContact CD2-CG 4.34Å; Y605-F633 HydrophobicContact CD2-CZ 4.38Å; Y605-F633 HydrophobicContact CE1-CB 3.58Å; Y605-F633 HydrophobicContact CE1-CD1 4.46Å; Y605-F633 HydrophobicContact CE1-CD2 4.11Å; Y605-F633 AromaticContact CE1-CG 3.8Å; Y605-F633 HydrophobicContact CE1-CG 3.8Å; Y605-F633 HydrophobicContact CE2-CD2 4.01Å; Y605-F633 HydrophobicContact CE2-CE2 4.29Å; Y605-F633 HydrophobicContact CE2-CG 4.45Å; Y605-F633 AromaticContact CG-CD1 3.95Å; Y605-F633 HydrophobicContact CG-CD1 3.95Å; Y605-F633 HydrophobicContact CG-CD2 4.16Å; Y605-F633 HydrophobicContact CG-CE1 4.18Å; Y605-F633 HydrophobicContact CG-CE2 4.34Å; Y605-F633 AromaticContact CG-CG 3.96Å; Y605-F633 HydrophobicContact CG-CG 3.96Å; Y605-F633 HydrophobicContact CG-CZ 4.37Å
606S90.8Very high86.5Confident3 Ų346.9 Ų46.92%0.02123%0.228CC..Hα-helixtrans-60.7-41.3173.4-178.90000111.6F602 Y603 R604 L609 K610 E630F602-S606 WeakPolarHBondContact O-CB 3.31Å; F602-S606 PolarHBondContact O-N 3.12Å; Y603-S606 PolarHBondContact O-N 3.12Å; R604-S606 PolarHBondContact O-N 2.89Å; S606-L609 PolarHBondContact O-N 3.13Å; S606-K610 WeakPolarHBondContact O-CB 3.28Å; S606-K610 VanDerWaalsContact O-CG 3.27Å; S606-K610 WeakPolarHBondContact O-CG 3.48Å; S606-K610 PolarHBondContact O-N 2.9Å; S606-K610 WeakPolarHBondContact OG-CE 3.16Å; S606-K610 PolarHBondContact OG-NZ 3.39Å; S606-E630 WeakPolarHBondContact CB-OE1 3.48Å; S606-E630 PolarHBondContact OG-OE1 2.73Å
607L89.1Confident84.8Confident78 Ų7850.8 Ų50.841%0.40825%0.248SC..Hα-helixtrans-64.6-44.6177.8-16870.6000112.1Y603 R604 Y605 L609 K610 Q611Y603-L607 PolarHBondContact O-N 3.02Å; R604-L607 WeakPolarHBondContact O-CB 3.11Å; R604-L607 PolarHBondContact O-N 3.45Å; R604-L607 VanDerWaalsContact O-N 3.17Å; Y605-L607 VanDerWaalsContact C-N 3.34Å; Y605-L607 PolarHBondContact O-N 2.99Å; L607-L609 PolarHBondContact O-N 3.02Å; L607-K610 PolarHBondContact O-N 3.46Å; L607-Q611 WeakPolarHBondContact O-CG 3.27Å; L607-Q611 PolarHBondContact O-N 2.8Å
608I89.3Confident83Confident31 Ų3159.6 Ų59.616%0.15929%0.286CS..Hα-helixtrans-60.1-46.8176-65.4163.1000110.2T484 Y486 I489 R604 Y605 K610 Q611 E612T484-I608 WeakPolarHBondContact O-CD1 3.25Å; Y486-I608 HydrophobicContact CD2-CG2 4.47Å; I489-I608 HydrophobicContact CD1-CD1 3.94Å; R604-I608 VanDerWaalsContact O-CG1 3.3Å; R604-I608 WeakPolarHBondContact O-CG1 3.44Å; R604-I608 PolarHBondContact O-N 3.28Å; Y605-I608 PolarHBondContact O-N 3.23Å; I608-K610 VanDerWaalsContact C-N 3.34Å; I608-K610 PolarHBondContact O-N 3.39Å; I608-Q611 WeakPolarHBondContact O-CB 3.42Å; I608-Q611 PolarHBondContact O-N 2.92Å; I608-Q611 VanDerWaalsContact O-N 3.15Å; I608-E612 PolarHBondContact O-N 2.86Å
609L87.4Confident81.5Confident1 Ų164.7 Ų64.71%0.00531%0.314CS..Hα-helixtrans-61.5-39.3177.3-76.2-177.3000112.7Y605 S606 L607 Q611 E612 Q613 I626 K629 E630Y605-L609 HydrophobicContact CD1-CD1 3.71Å; Y605-L609 HydrophobicContact CD1-CG 4.25Å; Y605-L609 HydrophobicContact CE1-CD1 3.41Å; Y605-L609 VanDerWaalsContact CE1-CD1 3.41Å; Y605-L609 HydrophobicContact CE1-CG 4.08Å; Y605-L609 WeakPolarHBondContact O-CB 3.4Å; Y605-L609 WeakPolarHBondContact O-CG 3.22Å; Y605-L609 PolarHBondContact O-N 3.21Å; S606-L609 PolarHBondContact O-N 3.13Å; L607-L609 PolarHBondContact O-N 3.02Å; L609-Q611 VanDerWaalsContact C-N 3.33Å; L609-E612 PolarHBondContact O-N 2.84Å; L609-Q613 WeakPolarHBondContact O-CB 3.26Å; L609-Q613 PolarHBondContact O-N 2.87Å; L609-I626 HydrophobicContact CB-CG2 3.95Å; L609-I626 HydrophobicContact CD1-CG2 4.43Å; L609-I626 HydrophobicContact CD2-CG2 4.5Å; L609-K629 HydrophobicContact CD1-CB 4.15Å; L609-K629 HydrophobicContact CD2-CD 4.25Å; L609-E630 HydrophobicContact CD1-CB 3.94Å
610K84Confident80.4Confident108 Ų10873.2 Ų73.247%0.4735%0.353SS..Hα-helixtrans-64.5-37.6174.4-75168.2-177167.30111.8S606 L607 I608 Q613 M614S606-K610 WeakPolarHBondContact O-CB 3.28Å; S606-K610 VanDerWaalsContact O-CG 3.27Å; S606-K610 WeakPolarHBondContact O-CG 3.48Å; S606-K610 PolarHBondContact O-N 2.9Å; S606-K610 WeakPolarHBondContact OG-CE 3.16Å; S606-K610 PolarHBondContact OG-NZ 3.39Å; L607-K610 PolarHBondContact O-N 3.46Å; I608-K610 VanDerWaalsContact C-N 3.34Å; I608-K610 PolarHBondContact O-N 3.39Å; K610-Q613 WeakPolarHBondContact O-CB 3.44Å; K610-Q613 PolarHBondContact O-N 3.14Å; K610-M614 PolarHBondContact O-N 2.91Å
611Q82.5Confident79.4Confident103 Ų10375.9 Ų75.948%0.48137%0.373SS..Hα-helixtrans-67-39.4174.7-69173.913.200112L607 I608 L609 M614 K615L607-Q611 WeakPolarHBondContact O-CG 3.27Å; L607-Q611 PolarHBondContact O-N 2.8Å; I608-Q611 WeakPolarHBondContact O-CB 3.42Å; I608-Q611 PolarHBondContact O-N 2.92Å; I608-Q611 VanDerWaalsContact O-N 3.15Å; L609-Q611 VanDerWaalsContact C-N 3.33Å; Q611-M614 PolarHBondContact O-N 3.21Å; Q611-K615 WeakPolarHBondContact O-CG 3.22Å; Q611-K615 PolarHBondContact O-N 2.96Å
612E79Confident78.4Confident81 Ų8177.9 Ų77.938%0.37939%0.386SS..Hα-helixtrans-61.1-45.3171.4-70.9-172.3161.200111.2I608 L609 M614 K615 T616I608-E612 PolarHBondContact O-N 2.86Å; L609-E612 PolarHBondContact O-N 2.84Å; E612-M614 VanDerWaalsContact C-N 3.27Å; E612-M614 PolarHBondContact O-N 2.8Å; E612-K615 PolarHBondContact O-N 2.84Å; E612-T616 PolarHBondContact O-N 3.31Å; E612-T616 PolarHBondContact O-OG1 3.43Å; E612-T616 VanDerWaalsContact O-OG1 3.09Å
613Q73.6Confident77.6Confident69 Ų6983.8 Ų83.832%0.32241%0.411SS..Hα-helixtrans-57.6-40.5176.9-167.2179.61.600112.2L609 K610 K615 T616 I626L609-Q613 WeakPolarHBondContact O-CB 3.26Å; L609-Q613 PolarHBondContact O-N 2.87Å; K610-Q613 WeakPolarHBondContact O-CB 3.44Å; K610-Q613 PolarHBondContact O-N 3.14Å; Q613-K615 VanDerWaalsContact C-N 3.3Å; Q613-K615 PolarHBondContact O-N 2.95Å; Q613-T616 CarbonylContact O-C 3.55Å; Q613-T616 PolarHBondContact O-N 3.28Å; Q613-I626 HydrophobicContact CB-CD1 3.7Å; Q613-I626 HydrophobicContact CG-CD1 3.97Å
614M70.6Confident77Confident162 Ų16286 Ų8680%0.79843%0.432SS*.Hα-helixtrans-67.8-29.6178.8-140.5177.8-149.500112.5K610 Q611 E612 V617K610-M614 PolarHBondContact O-N 2.91Å; Q611-M614 PolarHBondContact O-N 3.21Å; E612-M614 VanDerWaalsContact C-N 3.27Å; E612-M614 PolarHBondContact O-N 2.8Å; M614-V617 WeakPolarHBondContact O-CG2 3.48Å
615K69Low76.6Confident175 Ų17592.1 Ų92.176%0.76146%0.459SS*.Hα-helixtrans-79.1-36175.4-69.4174.8-177.5174.20112.2Q611 E612 Q613 V617Q611-K615 WeakPolarHBondContact O-CG 3.22Å; Q611-K615 PolarHBondContact O-N 2.96Å; E612-K615 PolarHBondContact O-N 2.84Å; Q613-K615 VanDerWaalsContact C-N 3.3Å; Q613-K615 PolarHBondContact O-N 2.95Å; K615-V617 PolarHBondContact O-N 3.19Å
616T64.6Low76.2Confident72 Ų7292.2 Ų92.244%0.44246%0.46SS..SBendtrans-96.976.8-178.960.90000111.3E612 Q613 K618E612-T616 PolarHBondContact O-N 3.31Å; E612-T616 PolarHBondContact O-OG1 3.43Å; E612-T616 VanDerWaalsContact O-OG1 3.09Å; Q613-T616 CarbonylContact O-C 3.55Å; Q613-T616 PolarHBondContact O-N 3.28Å; T616-K618 PolarHBondContact O-N 2.79Å
617V59.4Low75.9Confident111 Ų11194.9 Ų94.967%0.67348%0.476SS*.  trans-71-7.6-160.4172.30000117.4M614 K615M614-V617 WeakPolarHBondContact O-CG2 3.48Å; K615-V617 PolarHBondContact O-N 3.19Å
618K56.1Low75.9Confident186 Ų18694.7 Ų94.781%0.80948%0.481SS*.SBendtrans-131.1-2.8-156.4-66.9-169.2178.6179.60122.7T616T616-K618 PolarHBondContact O-N 2.79Å
619D64.2Low75.9Confident108 Ų10897.7 Ų97.758%0.57849%0.493SS*.  trans-121.1128-178.8-71.4-33.7000114.2S621 T622 K623D619-S621 PolarHBondContact O-N 2.84Å; D619-T622 WeakPolarHBondContact O-CB 3.46Å; D619-T622 PolarHBondContact O-N 2.58Å; D619-K623 PolarHBondContact O-N 3.49Å
620E71.1Confident76Confident178 Ų17899.2 Ų99.283%0.83250%0.501SS*.Hα-helixtrans-56.3-33.5170.9-75.5-161.2151.700112.3T622 K623 S624E620-T622 VanDerWaalsContact C-N 3.27Å; E620-T622 PolarHBondContact O-N 2.94Å; E620-K623 PolarHBondContact O-N 2.94Å; E620-S624 PolarHBondContact O-N 3Å
621S73.9Confident76.3Confident67 Ų6797.3 Ų97.347%0.46950%0.495SS..Hα-helixtrans-62.3-35.2176.872.70000112.2D619 K625D619-S621 PolarHBondContact O-N 2.84Å; S621-K625 VanDerWaalsContact O-CG 3.3Å; S621-K625 WeakPolarHBondContact O-CG 3.25Å; S621-K625 PolarHBondContact O-N 2.78Å; S621-K625 VanDerWaalsContact O-N 3.13Å
622T72.4Confident76.9Confident42 Ų4296 Ų9626%0.25850%0.498SS..Hα-helixtrans-72.2-42.3176.8-56.20000110.8D619 E620 S624 K625 I626D619-T622 WeakPolarHBondContact O-CB 3.46Å; D619-T622 PolarHBondContact O-N 2.58Å; E620-T622 VanDerWaalsContact C-N 3.27Å; E620-T622 PolarHBondContact O-N 2.94Å; T622-S624 PolarHBondContact O-N 2.89Å; T622-K625 PolarHBondContact O-N 2.76Å; T622-I626 HydrophobicContact CG2-CD1 4.01Å; T622-I626 VanDerWaalsContact O-CG1 3.31Å; T622-I626 WeakPolarHBondContact O-CG1 3.44Å; T622-I626 PolarHBondContact O-N 3.31Å
623K76Confident77.5Confident124 Ų12492.4 Ų92.454%0.53948%0.481SS..Hα-helixtrans-58.7-46.2174.8-176.4174.8-179.5-176.70111.7D619 E620 K625 I626 T627D619-K623 PolarHBondContact O-N 3.49Å; E620-K623 PolarHBondContact O-N 2.94Å; K623-K625 PolarHBondContact O-N 3.43Å; K623-I626 PolarHBondContact O-N 3.17Å; K623-T627 PolarHBondContact O-N 3.35Å; K623-T627 PolarHBondContact O-OG1 3.28Å
624S80.7Confident78.5Confident82 Ų8289.1 Ų89.157%0.57347%0.465SS*.Hα-helixtrans-60.4-43.2176.6-178.20000112.2E620 T622 I626 T627 S628E620-S624 PolarHBondContact O-N 3Å; T622-S624 PolarHBondContact O-N 2.89Å; S624-I626 PolarHBondContact O-N 3.33Å; S624-T627 PolarHBondContact O-N 3.4Å; S624-S628 WeakPolarHBondContact O-CB 3.32Å; S624-S628 PolarHBondContact O-N 2.77Å
625K83Confident79.6Confident142 Ų14284.1 Ų84.162%0.61745%0.45SS*.Hα-helixtrans-62.6-40.7175.6-74.8173.3-178.1177.80112.7S621 T622 K623 S628 K629S621-K625 VanDerWaalsContact O-CG 3.3Å; S621-K625 WeakPolarHBondContact O-CG 3.25Å; S621-K625 PolarHBondContact O-N 2.78Å; S621-K625 VanDerWaalsContact O-N 3.13Å; T622-K625 PolarHBondContact O-N 2.76Å; K623-K625 PolarHBondContact O-N 3.43Å; K625-S628 PolarHBondContact O-N 2.99Å; K625-K629 WeakPolarHBondContact O-CG 2.97Å; K625-K629 PolarHBondContact O-N 3.17Å
626I83Confident80.8Confident13 Ų1377.5 Ų77.57%0.06742%0.422CS..Hα-helixtrans-65.5-48.3178.6-69.5170.6000110.6L609 Q613 T622 K623 S624 S628 K629 E630L609-I626 HydrophobicContact CB-CG2 3.95Å; L609-I626 HydrophobicContact CD1-CG2 4.43Å; L609-I626 HydrophobicContact CD2-CG2 4.5Å; Q613-I626 HydrophobicContact CB-CD1 3.7Å; Q613-I626 HydrophobicContact CG-CD1 3.97Å; T622-I626 HydrophobicContact CG2-CD1 4.01Å; T622-I626 VanDerWaalsContact O-CG1 3.31Å; T622-I626 WeakPolarHBondContact O-CG1 3.44Å; T622-I626 PolarHBondContact O-N 3.31Å; K623-I626 PolarHBondContact O-N 3.17Å; S624-I626 PolarHBondContact O-N 3.33Å; I626-S628 VanDerWaalsContact C-N 3.26Å; I626-S628 PolarHBondContact O-N 2.69Å; I626-K629 WeakPolarHBondContact O-CB 3.5Å; I626-K629 PolarHBondContact O-N 2.82Å; I626-K629 VanDerWaalsContact O-N 3.14Å; I626-E630 PolarHBondContact O-N 3.46Å
627T85.4Confident82.3Confident59 Ų5974.1 Ų74.136%0.36240%0.401SS..Hα-helixtrans-61.1-37175.5-570000111.6K623 S624 E630 N631K623-T627 PolarHBondContact O-N 3.35Å; K623-T627 PolarHBondContact O-OG1 3.28Å; S624-T627 PolarHBondContact O-N 3.4Å; T627-E630 PolarHBondContact O-N 2.82Å; T627-N631 VanDerWaalsContact O-CB 3.31Å; T627-N631 WeakPolarHBondContact O-CB 3.48Å; T627-N631 PolarHBondContact O-N 2.85Å; T627-N631 PolarHBondContact O-ND2 3.46Å
628S89.2Confident84Confident74 Ų7471.4 Ų71.452%0.51738%0.382SS..Hα-helixtrans-63.5-43.7174.1178.40000112.2S624 K625 I626 N631 S632S624-S628 WeakPolarHBondContact O-CB 3.32Å; S624-S628 PolarHBondContact O-N 2.77Å; K625-S628 PolarHBondContact O-N 2.99Å; I626-S628 VanDerWaalsContact C-N 3.26Å; I626-S628 PolarHBondContact O-N 2.69Å; S628-N631 PolarHBondContact O-N 3.08Å; S628-S632 WeakPolarHBondContact O-CB 3.43Å; S628-S632 PolarHBondContact O-N 2.86Å
629K88.5Confident85.8Confident94 Ų9466.5 Ų66.541%0.40936%0.364SS..Hα-helixtrans-62.3-44.8174.5-75.6-176.5177-172.90112.3L609 K625 I626 S632 F633L609-K629 HydrophobicContact CD1-CB 4.15Å; L609-K629 HydrophobicContact CD2-CD 4.25Å; K625-K629 WeakPolarHBondContact O-CG 2.97Å; K625-K629 PolarHBondContact O-N 3.17Å; I626-K629 WeakPolarHBondContact O-CB 3.5Å; I626-K629 PolarHBondContact O-N 2.82Å; I626-K629 VanDerWaalsContact O-N 3.14Å; K629-S632 PolarHBondContact O-N 2.84Å; K629-F633 PolarHBondContact O-N 2.89Å
630E89.6Confident87.3Confident34 Ų3461.4 Ų61.416%0.15934%0.337CS..Hα-helixtrans-61.4-45.7177.2-176.1178.1-158.500111.3F602 S606 L609 I626 T627 S632 F633 A634F602-E630 HydrophobicContact CE2-CG 3.84Å; F602-E630 HydrophobicContact CZ-CG 4.11Å; S606-E630 WeakPolarHBondContact CB-OE1 3.48Å; S606-E630 PolarHBondContact OG-OE1 2.73Å; L609-E630 HydrophobicContact CD1-CB 3.94Å; I626-E630 PolarHBondContact O-N 3.46Å; T627-E630 PolarHBondContact O-N 2.82Å; E630-S632 PolarHBondContact O-N 2.85Å; E630-F633 PolarHBondContact O-N 3.47Å; E630-A634 WeakPolarHBondContact O-CB 3.43Å; E630-A634 PolarHBondContact O-N 3.32Å
631N91.3Very high88.4Confident67 Ų6753 Ų5336%0.35830%0.297SS..Hα-helixtrans-63.6-40.3176.2-74.9-23.3000112.6T627 S628 A634 A635 R675T627-N631 VanDerWaalsContact O-CB 3.31Å; T627-N631 WeakPolarHBondContact O-CB 3.48Å; T627-N631 PolarHBondContact O-N 2.85Å; T627-N631 PolarHBondContact O-ND2 3.46Å; S628-N631 PolarHBondContact O-N 3.08Å; N631-A634 PolarHBondContact O-N 3.04Å; N631-A635 VanDerWaalsContact O-CB 3.27Å; N631-A635 WeakPolarHBondContact O-CB 3.01Å; N631-A635 PolarHBondContact O-N 3.41Å; N631-R675 VanDerWaalsContact OD1-CZ 3.3Å; N631-R675 PolarHBondContact OD1-NH1 3.33Å; N631-R675 PolarHBondContact OD1-NH2 3.06Å
632S93.8Very high89.3Confident76 Ų7651.7 Ų51.753%0.53129%0.29SS..Hα-helixtrans-62.2-45.3176.8-171.30000111.2S628 K629 E630 A635 E636S628-S632 WeakPolarHBondContact O-CB 3.43Å; S628-S632 PolarHBondContact O-N 2.86Å; K629-S632 PolarHBondContact O-N 2.84Å; E630-S632 PolarHBondContact O-N 2.85Å; S632-A635 PolarHBondContact O-N 3.13Å; S632-E636 WeakPolarHBondContact O-CB 3.46Å; S632-E636 PolarHBondContact O-N 3.16Å
633F93.4Very high90.3Very high5 Ų549.9 Ų49.92%0.02228%0.28CS..Hα-helixtrans-67.2-42.1179-168.2-93.6000111.8I489 M493 L601 F602 Y605 K629 E630 A635 E636 C637I489-F633 HydrophobicContact CG2-CE2 3.79Å; I489-F633 HydrophobicContact CG2-CZ 3.52Å; M493-F633 HydrophobicContact CE-CE2 4.44Å; M493-F633 HydrophobicContact CG-CE2 3.74Å; M493-F633 HydrophobicContact CG-CZ 4.02Å; M493-F633 HydrophobicContact SD-CE2 4.34Å; M493-F633 HydrophobicContact SD-CZ 4.16Å; L601-F633 HydrophobicContact CB-CZ 4.43Å; F602-F633 HydrophobicContact CB-CD1 4.31Å; F602-F633 HydrophobicContact CB-CE1 4.19Å; F602-F633 HydrophobicContact CD2-CD1 4.05Å; Y605-F633 HydrophobicContact CD1-CB 3.79Å; Y605-F633 AromaticContact CD1-CD1 3.87Å; Y605-F633 HydrophobicContact CD1-CD1 3.87Å; Y605-F633 HydrophobicContact CD1-CD2 4.18Å; Y605-F633 AromaticContact CD1-CG 3.67Å; Y605-F633 HydrophobicContact CD1-CG 3.67Å; Y605-F633 HydrophobicContact CD2-CD2 4.07Å; Y605-F633 HydrophobicContact CD2-CE2 4.07Å; Y605-F633 HydrophobicContact CD2-CG 4.34Å; Y605-F633 HydrophobicContact CD2-CZ 4.38Å; Y605-F633 HydrophobicContact CE1-CB 3.58Å; Y605-F633 HydrophobicContact CE1-CD1 4.46Å; Y605-F633 HydrophobicContact CE1-CD2 4.11Å; Y605-F633 AromaticContact CE1-CG 3.8Å; Y605-F633 HydrophobicContact CE1-CG 3.8Å; Y605-F633 HydrophobicContact CE2-CD2 4.01Å; Y605-F633 HydrophobicContact CE2-CE2 4.29Å; Y605-F633 HydrophobicContact CE2-CG 4.45Å; Y605-F633 AromaticContact CG-CD1 3.95Å; Y605-F633 HydrophobicContact CG-CD1 3.95Å; Y605-F633 HydrophobicContact CG-CD2 4.16Å; Y605-F633 HydrophobicContact CG-CE1 4.18Å; Y605-F633 HydrophobicContact CG-CE2 4.34Å; Y605-F633 AromaticContact CG-CG 3.96Å; Y605-F633 HydrophobicContact CG-CG 3.96Å; Y605-F633 HydrophobicContact CG-CZ 4.37Å; K629-F633 PolarHBondContact O-N 2.89Å; E630-F633 PolarHBondContact O-N 3.47Å; F633-A635 PolarHBondContact O-N 3.5Å; F633-E636 WeakPolarHBondContact O-CB 3.41Å; F633-E636 PolarHBondContact O-N 3.33Å; F633-C637 PolarHBondContact O-N 3.47Å; F633-C637 PolarHBondContact O-SG 3.15Å; F633-C637 VanDerWaalsContact O-SG 3.41Å
634A93.6Very high91.1Very high0 Ų044 Ų440%025%0.254CS..Hα-helixtrans-59.3-47.3173.600000112F602 E630 N631 E636 C637 M638 R675F602-A634 HydrophobicContact CD2-CB 3.87Å; F602-A634 HydrophobicContact CE2-CB 3.56Å; F602-A634 HydrophobicContact CZ-CB 4.31Å; E630-A634 WeakPolarHBondContact O-CB 3.43Å; E630-A634 PolarHBondContact O-N 3.32Å; N631-A634 PolarHBondContact O-N 3.04Å; A634-E636 VanDerWaalsContact C-N 3.27Å; A634-E636 PolarHBondContact O-N 3.26Å; A634-C637 PolarHBondContact O-N 3.29Å; A634-M638 WeakPolarHBondContact O-CB 3.42Å; A634-M638 VanDerWaalsContact O-CG 3.23Å; A634-M638 WeakPolarHBondContact O-CG 3.46Å; A634-M638 PolarHBondContact O-N 3.46Å; A634-R675 VanDerWaalsContact CB-NH2 3.34Å
635A94.1Very high91.6Very high57 Ų5740.6 Ų40.647%0.47123%0.23SC..Hα-helixtrans-61.5-37.8179.100000111.5N631 S632 F633 M638 L639N631-A635 VanDerWaalsContact O-CB 3.27Å; N631-A635 WeakPolarHBondContact O-CB 3.01Å; N631-A635 PolarHBondContact O-N 3.41Å; S632-A635 PolarHBondContact O-N 3.13Å; F633-A635 PolarHBondContact O-N 3.5Å; A635-M638 PolarHBondContact O-N 3.11Å; A635-L639 VanDerWaalsContact O-CB 3.31Å; A635-L639 WeakPolarHBondContact O-CB 3.49Å; A635-L639 PolarHBondContact O-N 2.85Å
636E93.8Very high92Very high37 Ų3738 Ų3817%0.17322%0.219CC..Hα-helixtrans-63.8-50.4174.3-177.8174.7178.300112.2M493 R497 S632 F633 A634 M638 L639 I640M493-E636 HydrophobicContact CE-CB 4.49Å; M493-E636 VanDerWaalsContact CE-CD 3.5Å; M493-E636 HydrophobicContact CE-CG 3.61Å; M493-E636 WeakPolarHBondContact CE-OE1 3.46Å; R497-E636 IonicContact CZ-OE1 3.32Å; R497-E636 IonicContact NE-OE1 3.52Å; R497-E636 PolarHBondContact NE-OE1 3.47Å; R497-E636 IonicContact NH2-OE1 4Å; R497-E636 PolarHBondContact NH2-OE1 2.92Å; R497-E636 IonicContact NH2-OE2 2.71Å; R497-E636 PolarHBondContact NH2-OE2 2.73Å; R497-E636 VanDerWaalsContact NH2-OE2 3.13Å; S632-E636 WeakPolarHBondContact O-CB 3.46Å; S632-E636 PolarHBondContact O-N 3.16Å; F633-E636 WeakPolarHBondContact O-CB 3.41Å; F633-E636 PolarHBondContact O-N 3.33Å; A634-E636 VanDerWaalsContact C-N 3.27Å; A634-E636 PolarHBondContact O-N 3.26Å; E636-M638 VanDerWaalsContact C-N 3.29Å; E636-M638 PolarHBondContact O-N 3.07Å; E636-L639 PolarHBondContact O-N 3.45Å; E636-I640 HydrophobicContact CG-CD1 4.35Å; E636-I640 WeakPolarHBondContact O-CG1 3.45Å; E636-I640 PolarHBondContact O-N 3.49Å
637C95.2Very high92.3Very high0 Ų037.3 Ų37.30%022%0.216CC..Hα-helixtrans-56.7-44.6175-69.20000111.6L598 F633 A634 I640 I641 L672L598-C637 HydrophobicContact CB-CB 4.1Å; L598-C637 HydrophobicContact CD2-CB 4.44Å; F633-C637 PolarHBondContact O-N 3.47Å; F633-C637 PolarHBondContact O-SG 3.15Å; F633-C637 VanDerWaalsContact O-SG 3.41Å; A634-C637 PolarHBondContact O-N 3.29Å; C637-I640 PolarHBondContact O-N 2.88Å; C637-I641 WeakPolarHBondContact O-CG1 3.01Å; C637-I641 PolarHBondContact O-N 3.37Å; C637-I641 VanDerWaalsContact O-N 3.16Å; C637-L672 HydrophobicContact CB-CD1 3.72Å; C637-L672 HydrophobicContact CB-CD2 4.45Å
638M95.8Very high92.4Very high55 Ų5535.1 Ų35.127%0.27120%0.204SC..Hα-helixtrans-64.3-39.8177.9-70.8179.171.100112.1A634 A635 E636 I641 A642 L669 L672 A673A634-M638 WeakPolarHBondContact O-CB 3.42Å; A634-M638 VanDerWaalsContact O-CG 3.23Å; A634-M638 WeakPolarHBondContact O-CG 3.46Å; A634-M638 PolarHBondContact O-N 3.46Å; A635-M638 PolarHBondContact O-N 3.11Å; E636-M638 VanDerWaalsContact C-N 3.29Å; E636-M638 PolarHBondContact O-N 3.07Å; M638-I641 PolarHBondContact O-N 3.34Å; M638-A642 WeakPolarHBondContact O-CB 3.05Å; M638-A642 PolarHBondContact O-N 2.99Å; M638-L669 HydrophobicContact CB-CD1 3.75Å; M638-L669 HydrophobicContact CE-CD1 4.1Å; M638-L669 HydrophobicContact CE-CG 4.45Å; M638-L669 HydrophobicContact CG-CD1 3.88Å; M638-L672 HydrophobicContact CG-CB 3.74Å; M638-L672 HydrophobicContact CG-CD1 4.07Å; M638-L672 HydrophobicContact SD-CB 4.26Å; M638-A673 HydrophobicContact CE-CB 3.85Å; M638-A673 HydrophobicContact SD-CB 4.43Å
639L94.6Very high92.2Very high82 Ų8235.9 Ų35.943%0.42921%0.205SC..Hα-helixtrans-63.8-41178179.863.2000111.6L503 A635 E636 S643L503-L639 HydrophobicContact CB-CD2 4.38Å; L503-L639 HydrophobicContact CB-CG 4.41Å; L503-L639 HydrophobicContact CD1-CD2 4.46Å; L503-L639 HydrophobicContact CD1-CG 4.23Å; A635-L639 VanDerWaalsContact O-CB 3.31Å; A635-L639 WeakPolarHBondContact O-CB 3.49Å; A635-L639 PolarHBondContact O-N 2.85Å; E636-L639 PolarHBondContact O-N 3.45Å; L639-S643 VanDerWaalsContact O-CB 3.23Å; L639-S643 WeakPolarHBondContact O-CB 3.46Å; L639-S643 PolarHBondContact O-N 2.95Å; L639-S643 PolarHBondContact O-OG 3.3Å
640I94.5Very high91.9Very high2 Ų232.4 Ų32.41%0.0119%0.193CC..Hα-helixtrans-60.8-53.5175.9-66.3162.5000109.9M493 I496 I500 L503 L594 L598 E636 C637 A642 S643 M644M493-I640 HydrophobicContact CE-CD1 3.62Å; I496-I640 HydrophobicContact CG2-CD1 4.25Å; I496-I640 HydrophobicContact CG2-CG2 4.48Å; I500-I640 HydrophobicContact CD1-CG2 3.99Å; L503-I640 HydrophobicContact CD1-CB 4.35Å; L503-I640 HydrophobicContact CD1-CG1 3.63Å; L594-I640 HydrophobicContact CD2-CG2 4.15Å; L598-I640 HydrophobicContact CD1-CB 4.02Å; L598-I640 HydrophobicContact CD1-CD1 4.38Å; L598-I640 HydrophobicContact CD1-CG2 3.83Å; L598-I640 HydrophobicContact CD2-CD1 4.31Å; E636-I640 HydrophobicContact CG-CD1 4.35Å; E636-I640 WeakPolarHBondContact O-CG1 3.45Å; E636-I640 PolarHBondContact O-N 3.49Å; C637-I640 PolarHBondContact O-N 2.88Å; I640-A642 PolarHBondContact O-N 3.28Å; I640-S643 PolarHBondContact O-N 2.93Å; I640-M644 HydrophobicContact CG2-SD 3.82Å; I640-M644 VanDerWaalsContact O-CG 3.29Å; I640-M644 WeakPolarHBondContact O-CG 3.46Å; I640-M644 PolarHBondContact O-N 2.95Å; I640-M644 VanDerWaalsContact O-N 3.11Å
641I94.8Very high91.4Very high0 Ų040.3 Ų40.30%023%0.23CC..Hα-helixtrans-62-47.6-178.7-62.3171.4000110.7L598 C637 M638 S643 M644 V645 M665 C668 L669 L672L598-I641 HydrophobicContact CB-CD1 4.39Å; L598-I641 HydrophobicContact CD1-CD1 4.14Å; L598-I641 HydrophobicContact CD1-CG1 3.74Å; C637-I641 WeakPolarHBondContact O-CG1 3.01Å; C637-I641 PolarHBondContact O-N 3.37Å; C637-I641 VanDerWaalsContact O-N 3.16Å; M638-I641 PolarHBondContact O-N 3.34Å; I641-S643 VanDerWaalsContact C-N 3.31Å; I641-S643 PolarHBondContact O-N 3.24Å; I641-M644 PolarHBondContact O-N 2.83Å; I641-V645 HydrophobicContact CG2-CG2 4.31Å; I641-V645 WeakPolarHBondContact O-CG2 3.47Å; I641-V645 PolarHBondContact O-N 3.12Å; I641-M665 HydrophobicContact CG2-CB 4.31Å; I641-C668 HydrophobicContact CD1-CB 4.17Å; I641-L669 HydrophobicContact CB-CD1 4.2Å; I641-L669 HydrophobicContact CG2-CB 4.14Å; I641-L669 HydrophobicContact CG2-CD1 4.24Å; I641-L672 HydrophobicContact CD1-CD1 3.64Å
642A93.8Very high90.9Very high40 Ų4039.4 Ų39.433%0.33123%0.225SC..Hα-helixtrans-62-38.9179.600000111.9M638 I640 M644 V645 H646 L669M638-A642 WeakPolarHBondContact O-CB 3.05Å; M638-A642 PolarHBondContact O-N 2.99Å; I640-A642 PolarHBondContact O-N 3.28Å; A642-M644 VanDerWaalsContact C-N 3.33Å; A642-M644 PolarHBondContact O-N 3.02Å; A642-V645 PolarHBondContact O-N 3.38Å; A642-H646 WeakPolarHBondContact O-CB 3.45Å; A642-H646 PolarHBondContact O-N 3.46Å; A642-L669 HydrophobicContact CB-CD1 4.48Å
643S92.7Very high90.3Very high5 Ų536.8 Ų36.84%0.03521%0.205CC..Hα-helixtrans-63.9-39.1176.4-630000112.1L639 I640 I641 L647L639-S643 VanDerWaalsContact O-CB 3.23Å; L639-S643 WeakPolarHBondContact O-CB 3.46Å; L639-S643 PolarHBondContact O-N 2.95Å; L639-S643 PolarHBondContact O-OG 3.3Å; I640-S643 PolarHBondContact O-N 2.93Å; I641-S643 VanDerWaalsContact C-N 3.31Å; I641-S643 PolarHBondContact O-N 3.24Å; S643-L647 WeakPolarHBondContact O-CB 3.19Å; S643-L647 PolarHBondContact O-N 2.6Å
644M92.8Very high89.3Confident0 Ų041.1 Ų41.10%023%0.234CC..Hα-helixtrans-71.9-41.9177.5-63.3161.361.600112.1I500 L505 L583 G591 L594 I640 I641 A642 H646 L647 A648 M665I500-M644 HydrophobicContact CD1-CG 3.78Å; I500-M644 HydrophobicContact CD1-SD 3.81Å; L505-M644 HydrophobicContact CD1-CG 4.21Å; L583-M644 HydrophobicContact CD1-CE 4.2Å; L583-M644 HydrophobicContact CD1-CG 3.87Å; L583-M644 HydrophobicContact CD2-CE 4.12Å; G591-M644 WeakPolarHBondContact O-CE 3.15Å; L594-M644 HydrophobicContact CD2-CE 4.36Å; L594-M644 HydrophobicContact CD2-SD 4.07Å; I640-M644 HydrophobicContact CG2-SD 3.82Å; I640-M644 VanDerWaalsContact O-CG 3.29Å; I640-M644 WeakPolarHBondContact O-CG 3.46Å; I640-M644 PolarHBondContact O-N 2.95Å; I640-M644 VanDerWaalsContact O-N 3.11Å; I641-M644 PolarHBondContact O-N 2.83Å; A642-M644 VanDerWaalsContact C-N 3.33Å; A642-M644 PolarHBondContact O-N 3.02Å; M644-H646 VanDerWaalsContact C-N 3.31Å; M644-L647 PolarHBondContact O-N 3.45Å; M644-A648 PolarHBondContact O-N 2.97Å; M644-M665 HydrophobicContact CB-CE 3.54Å; M644-M665 HydrophobicContact CE-CE 3.72Å; M644-M665 HydrophobicContact SD-CE 4.4Å
645V91Very high88.6Confident10 Ų1047.4 Ų47.46%0.06126%0.263CS..Hα-helixtrans-62.4-42.1173.2173.40000110.2I641 A642 L647 A648 T649 M665I641-V645 HydrophobicContact CG2-CG2 4.31Å; I641-V645 WeakPolarHBondContact O-CG2 3.47Å; I641-V645 PolarHBondContact O-N 3.12Å; A642-V645 PolarHBondContact O-N 3.38Å; V645-L647 PolarHBondContact O-N 3.38Å; V645-A648 WeakPolarHBondContact O-CB 3.43Å; V645-A648 PolarHBondContact O-N 3.29Å; V645-A648 VanDerWaalsContact O-N 3.14Å; V645-T649 HydrophobicContact CG1-CG2 4.43Å; V645-T649 WeakPolarHBondContact O-CG2 3.44Å; V645-T649 PolarHBondContact O-N 2.97Å; V645-T649 PolarHBondContact O-OG1 3.31Å; V645-M665 HydrophobicContact CG2-CB 3.83Å; V645-M665 HydrophobicContact CG2-CE 3.9Å; V645-M665 HydrophobicContact CG2-SD 4.45Å
646H90.9Very high87.9Confident87 Ų8754 Ų5440%0.40328%0.284SS..Hα-helixtrans-62.4-44.5178.3-17342.4000111.3V506 A642 M644 A648 T649 S650V506-H646 VanDerWaalsContact CB-CD2 3.43Å; V506-H646 WeakPolarHBondContact CB-CD2 3.29Å; V506-H646 HydrophobicContact CG2-CB 4.37Å; V506-H646 WeakPolarHBondContact CG2-CD2 3.25Å; A642-H646 WeakPolarHBondContact O-CB 3.45Å; A642-H646 PolarHBondContact O-N 3.46Å; M644-H646 VanDerWaalsContact C-N 3.31Å; H646-A648 VanDerWaalsContact C-N 3.32Å; H646-A648 PolarHBondContact O-N 3.38Å; H646-T649 WeakPolarHBondContact CA-OG1 3.4Å; H646-T649 CarbonylContact O-C 3.58Å; H646-T649 PolarHBondContact O-N 2.97Å; H646-T649 PolarHBondContact O-OG1 3.35Å; H646-S650 WeakPolarHBondContact O-CB 3.28Å; H646-S650 PolarHBondContact O-N 3.21Å
647L89.1Confident87.4Confident0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-57.7-43.6172.2-178.764.5000111.7L505 V506 L583 F584 Y588 S643 M644 V645 T649 S650 L653L505-L647 HydrophobicContact CD1-CD2 4.15Å; V506-L647 HydrophobicContact CG2-CB 4.18Å; V506-L647 HydrophobicContact CG2-CD1 4.29Å; L583-L647 HydrophobicContact CB-CD2 4.03Å; F584-L647 HydrophobicContact CD2-CD2 4.12Å; F584-L647 HydrophobicContact CE1-CD1 4.07Å; F584-L647 HydrophobicContact CE2-CD1 4.22Å; F584-L647 HydrophobicContact CE2-CD2 3.94Å; F584-L647 HydrophobicContact CZ-CD1 3.81Å; F584-L647 HydrophobicContact CZ-CD2 4.38Å; Y588-L647 WeakPolarHBondContact OH-CG 3.32Å; S643-L647 WeakPolarHBondContact O-CB 3.19Å; S643-L647 PolarHBondContact O-N 2.6Å; M644-L647 PolarHBondContact O-N 3.45Å; V645-L647 PolarHBondContact O-N 3.38Å; L647-T649 VanDerWaalsContact C-N 3.33Å; L647-T649 PolarHBondContact O-N 3.08Å; L647-S650 WeakPolarHBondContact O-CB 3.02Å; L647-S650 PolarHBondContact O-N 3.31Å; L647-S650 VanDerWaalsContact O-N 3.16Å; L647-S650 PolarHBondContact O-OG 2.94Å; L647-L653 HydrophobicContact CD1-CD2 4.31Å; L647-L653 HydrophobicContact CG-CD2 4.22Å; L647-L653 WeakPolarHBondContact O-CD1 3.41Å
648A87.5Confident87Confident12 Ų1256.7 Ų56.710%0.09930%0.3CS..Hα-helixtrans-62.6-37.7178.300000114Y588 M644 V645 H646 S650 V657 L662Y588-A648 HydrophobicContact CD1-CB 4.37Å; Y588-A648 HydrophobicContact CE1-CB 3.59Å; Y588-A648 HydrophobicContact CE2-CB 4.46Å; Y588-A648 WeakPolarHBondContact OH-CA 3.13Å; Y588-A648 PolarHBondContact OH-N 3.22Å; M644-A648 PolarHBondContact O-N 2.97Å; V645-A648 WeakPolarHBondContact O-CB 3.43Å; V645-A648 PolarHBondContact O-N 3.29Å; V645-A648 VanDerWaalsContact O-N 3.14Å; H646-A648 VanDerWaalsContact C-N 3.32Å; H646-A648 PolarHBondContact O-N 3.38Å; A648-S650 VanDerWaalsContact C-N 3.33Å; A648-V657 HydrophobicContact CB-CB 4.28Å; A648-V657 HydrophobicContact CB-CG2 3.87Å; A648-L662 HydrophobicContact CB-CD1 4.42Å; A648-L662 HydrophobicContact CB-CD2 3.34Å; A648-L662 HydrophobicContact CB-CG 4.49Å
649T85.9Confident86.6Confident90 Ų9058.3 Ų58.355%0.55231%0.314SS*.Hα-helixtrans-84.1-10.6177.359.70000113.2V645 H646 L647V645-T649 HydrophobicContact CG1-CG2 4.43Å; V645-T649 WeakPolarHBondContact O-CG2 3.44Å; V645-T649 PolarHBondContact O-N 2.97Å; V645-T649 PolarHBondContact O-OG1 3.31Å; H646-T649 WeakPolarHBondContact CA-OG1 3.4Å; H646-T649 CarbonylContact O-C 3.58Å; H646-T649 PolarHBondContact O-N 2.97Å; H646-T649 PolarHBondContact O-OG1 3.35Å; L647-T649 VanDerWaalsContact C-N 3.33Å; L647-T649 PolarHBondContact O-N 3.08Å
650S82.5Confident86.4Confident21 Ų2157.9 Ų57.915%0.14731%0.312CS..SBendtrans-72.3151.7176.781.10000110.3H646 L647 A648 L652H646-S650 WeakPolarHBondContact O-CB 3.28Å; H646-S650 PolarHBondContact O-N 3.21Å; L647-S650 WeakPolarHBondContact O-CB 3.02Å; L647-S650 PolarHBondContact O-N 3.31Å; L647-S650 VanDerWaalsContact O-N 3.16Å; L647-S650 PolarHBondContact O-OG 2.94Å; A648-S650 VanDerWaalsContact C-N 3.33Å; S650-L652 PolarHBondContact O-N 2.97Å; S650-L652 WeakPolarHBondContact OG-CB 3.12Å; S650-L652 PolarHBondContact OG-N 3.36Å
651Q77.5Confident86.3Confident201 Ų20158.9 Ų58.994%0.93932%0.317SS*.THydrogen-bonded Turntrans-79.215.6172-62.9-179.12.700112.5
652L81.1Confident86.1Confident48 Ų4860.3 Ų60.325%0.25132%0.324SS..THydrogen-bonded Turntrans-84.5-19.6-179.3-59175.1000112.6V506 E509 L510 S650V506-L652 HydrophobicContact CG1-CD1 3.94Å; V506-L652 HydrophobicContact CG2-CD1 4.49Å; E509-L652 HydrophobicContact CB-CD1 4.22Å; E509-L652 HydrophobicContact CG-CD1 4Å; L510-L652 HydrophobicContact CD2-CD2 4.37Å; S650-L652 PolarHBondContact O-N 2.97Å; S650-L652 WeakPolarHBondContact OG-CB 3.12Å; S650-L652 PolarHBondContact OG-N 3.36Å
653L81.5Confident86.1Confident21 Ų2162.9 Ų62.911%0.1133%0.333CS..SBendtrans-85.6142.4-179.4-62.6177.4000111.3L583 F584 Y588 L647 H655 V657L583-L653 WeakPolarHBondContact O-CD2 3.43Å; F584-L653 HydrophobicContact CD1-CD2 4.21Å; F584-L653 HydrophobicContact CG-CD2 4.47Å; Y588-L653 HydrophobicContact CE2-CD1 3.77Å; Y588-L653 WeakPolarHBondContact OH-CD1 3.39Å; L647-L653 HydrophobicContact CD1-CD2 4.31Å; L647-L653 HydrophobicContact CG-CD2 4.22Å; L647-L653 WeakPolarHBondContact O-CD1 3.41Å; L653-H655 VanDerWaalsContact C-N 3.29Å; L653-H655 PolarHBondContact O-N 3.42Å; L653-V657 HydrophobicContact CD1-CG2 3.81Å
654P73.1Confident86.2Confident96 Ų9668.5 Ų68.562%0.62335%0.353SS*.SBendtrans-69.8-26.3179.727.2-33.6000113.1
655H77.9Confident86.3Confident132 Ų13268.5 Ų68.561%0.61135%0.353SS*.SBendtrans-131.1145.2-176.7-58.283000111.3S586 L653 V657S586-H655 PolarHBondContact OG-O 3.15Å; S586-H655 VanDerWaalsContact OG-O 3.1Å; L653-H655 VanDerWaalsContact C-N 3.29Å; L653-H655 PolarHBondContact O-N 3.42Å; H655-V657 PolarHBondContact O-N 2.95Å
656Q79.3Confident86.4Confident196 Ų19673.8 Ų73.892%0.91637%0.372SS*.PPolyproline II helixtrans-63.9133.6172-72.9-171.8-14.100110.9
657V84.1Confident86.6Confident14 Ų1474 Ų749%0.08538%0.375CS..PPolyproline II helixtrans-77.1143.8175.6-177.50000109.5Y588 A648 L653 H655 P659 H661 L662Y588-V657 HydrophobicContact CD1-CG1 4.08Å; Y588-V657 HydrophobicContact CD2-CB 4.28Å; Y588-V657 HydrophobicContact CD2-CG1 3.73Å; Y588-V657 HydrophobicContact CD2-CG2 3.48Å; Y588-V657 VanDerWaalsContact CD2-CG2 3.48Å; Y588-V657 HydrophobicContact CE2-CG1 4.37Å; Y588-V657 HydrophobicContact CE2-CG2 3.38Å; Y588-V657 HydrophobicContact CG-CG1 3.57Å; Y588-V657 HydrophobicContact CG-CG2 4.14Å; A648-V657 HydrophobicContact CB-CB 4.28Å; A648-V657 HydrophobicContact CB-CG2 3.87Å; L653-V657 HydrophobicContact CD1-CG2 3.81Å; H655-V657 PolarHBondContact O-N 2.95Å; V657-P659 WeakPolarHBondContact O-CD 3.38Å; V657-H661 HydrophobicContact CG1-CB 4.38Å; V657-L662 HydrophobicContact CB-CD1 4.43Å; V657-L662 HydrophobicContact CB-CD2 4.38Å; V657-L662 HydrophobicContact CB-CG 4.47Å; V657-L662 HydrophobicContact CG1-CD2 3.94Å; V657-L662 HydrophobicContact CG1-CG 4.14Å
658N86.7Confident86.8Confident78 Ų7874.3 Ų74.342%0.41738%0.377SS..PPolyproline II helixtrans-55.7123.6176.3-176.3-15.9000110.5D660 H661 L662N658-D660 PolarHBondContact O-N 3.45Å; N658-D660 WeakPolarHBondContact OD1-CB 3.32Å; N658-D660 PolarHBondContact OD1-N 2.7Å; N658-D660 VanDerWaalsContact OD1-N 3.08Å; N658-H661 HydrophobicContact CB-CB 4.45Å; N658-H661 WeakPolarHBondContact O-CB 3.44Å; N658-H661 PolarHBondContact O-N 3.05Å; N658-L662 PolarHBondContact O-N 2.8Å
659P87.6Confident87.2Confident89 Ų8974.7 Ų74.758%0.57838%0.378SS*.Hα-helixtrans-53.9-37.9-179.8-24.832000113.5V657 H661 L662 D663V657-P659 WeakPolarHBondContact O-CD 3.38Å; P659-H661 VanDerWaalsContact C-N 3.26Å; P659-H661 PolarHBondContact O-N 3.18Å; P659-L662 WeakPolarHBondContact O-CB 3.39Å; P659-L662 PolarHBondContact O-N 3.34Å; P659-D663 PolarHBondContact O-N 3.16Å
660D90.6Very high87.6Confident73 Ų7377.1 Ų77.139%0.3938%0.38SS..Hα-helixtrans-65.2-29.2-179.6-178.742.5000112.4N658 R664N658-D660 PolarHBondContact O-N 3.45Å; N658-D660 WeakPolarHBondContact OD1-CB 3.32Å; N658-D660 PolarHBondContact OD1-N 2.7Å; N658-D660 VanDerWaalsContact OD1-N 3.08Å; D660-R664 WeakPolarHBondContact O-CG 3.41Å; D660-R664 PolarHBondContact O-N 3.43Å; D660-R664 IonicContact OD1-CZ 2.66Å; D660-R664 IonicContact OD1-NH1 2.89Å; D660-R664 PolarHBondContact OD1-NH1 3Å; D660-R664 IonicContact OD2-CZ 2.99Å; D660-R664 IonicContact OD2-NH1 3.59Å; D660-R664 PolarHBondContact OD2-NH1 2.86Å; D660-R664 IonicContact OD2-NH2 3.31Å
661H92.1Very high88.1Confident24 Ų2476.7 Ų76.711%0.11138%0.376CS..Hα-helixtrans-68.2-43.5171.9-63.1173.7000110.7M589 V592 V657 N658 P659 R664 M665M589-H661 WeakPolarHBondContact CE-NE2 3.45Å; V592-H661 HydrophobicContact CG2-CB 3.52Å; V657-H661 HydrophobicContact CG1-CB 4.38Å; N658-H661 HydrophobicContact CB-CB 4.45Å; N658-H661 WeakPolarHBondContact O-CB 3.44Å; N658-H661 PolarHBondContact O-N 3.05Å; P659-H661 VanDerWaalsContact C-N 3.26Å; P659-H661 PolarHBondContact O-N 3.18Å; H661-R664 PolarHBondContact O-N 3.36Å; H661-M665 VanDerWaalsContact O-CG 3.3Å; H661-M665 WeakPolarHBondContact O-CG 3.5Å; H661-M665 PolarHBondContact O-N 3.13Å; H661-M665 VanDerWaalsContact O-N 3.11Å
662L91.2Very high88.8Confident29 Ų2967.1 Ų67.115%0.15233%0.332CS..Hα-helixtrans-67-41179.4-58.7-180000111.8A648 V657 N658 P659 R664 M665 W666A648-L662 HydrophobicContact CB-CD1 4.42Å; A648-L662 HydrophobicContact CB-CD2 3.34Å; A648-L662 HydrophobicContact CB-CG 4.49Å; V657-L662 HydrophobicContact CB-CD1 4.43Å; V657-L662 HydrophobicContact CB-CD2 4.38Å; V657-L662 HydrophobicContact CB-CG 4.47Å; V657-L662 HydrophobicContact CG1-CD2 3.94Å; V657-L662 HydrophobicContact CG1-CG 4.14Å; N658-L662 PolarHBondContact O-N 2.8Å; P659-L662 WeakPolarHBondContact O-CB 3.39Å; P659-L662 PolarHBondContact O-N 3.34Å; L662-R664 VanDerWaalsContact C-N 3.35Å; L662-R664 PolarHBondContact O-N 2.99Å; L662-M665 PolarHBondContact O-N 3.45Å; L662-W666 WeakPolarHBondContact O-CB 3.21Å; L662-W666 PolarHBondContact O-N 3.24Å
663D93.5Very high89.4Confident95 Ų9567.8 Ų67.851%0.50834%0.344SS..Hα-helixtrans-61.8-43.2176.8-74.5-21.6000111.3P659 M665 W666 I667P659-D663 PolarHBondContact O-N 3.16Å; D663-M665 PolarHBondContact O-N 2.93Å; D663-W666 WeakPolarHBondContact O-CB 3.33Å; D663-W666 PolarHBondContact O-N 3.43Å; D663-I667 VanDerWaalsContact O-CG1 3.27Å; D663-I667 WeakPolarHBondContact O-CG1 3.44Å; D663-I667 PolarHBondContact O-N 2.95Å
664R93.3Very high89.9Confident122 Ų12271.2 Ų71.246%0.4636%0.363SS..Hα-helixtrans-61.1-42.5173.9-77.3-166.4175.4873112.9V592 D660 H661 L662 W666 I667 C668V592-R664 HydrophobicContact CG1-CB 3.94Å; D660-R664 WeakPolarHBondContact O-CG 3.41Å; D660-R664 PolarHBondContact O-N 3.43Å; D660-R664 IonicContact OD1-CZ 2.66Å; D660-R664 IonicContact OD1-NH1 2.89Å; D660-R664 PolarHBondContact OD1-NH1 3Å; D660-R664 IonicContact OD2-CZ 2.99Å; D660-R664 IonicContact OD2-NH1 3.59Å; D660-R664 PolarHBondContact OD2-NH1 2.86Å; D660-R664 IonicContact OD2-NH2 3.31Å; H661-R664 PolarHBondContact O-N 3.36Å; L662-R664 VanDerWaalsContact C-N 3.35Å; L662-R664 PolarHBondContact O-N 2.99Å; R664-W666 VanDerWaalsContact C-N 3.35Å; R664-I667 PolarHBondContact O-N 3.22Å; R664-C668 PolarHBondContact O-N 3.18Å; R664-C668 VanDerWaalsContact O-N 3.12Å; R664-C668 PolarHBondContact O-SG 3.3Å
665M94.9Very high90.7Very high0 Ų070.4 Ų70.40%035%0.347CS..Hα-helixtrans-65.2-40.1176.1-66.7174.871.100111.5Y588 V592 S595 I641 M644 V645 H661 L662 D663 C668 L669Y588-M665 HydrophobicContact CD1-SD 4.17Å; V592-M665 HydrophobicContact CG2-CG 4.1Å; V592-M665 HydrophobicContact CG2-SD 4.16Å; S595-M665 WeakPolarHBondContact OG-CG 3.36Å; I641-M665 HydrophobicContact CG2-CB 4.31Å; M644-M665 HydrophobicContact CB-CE 3.54Å; M644-M665 HydrophobicContact CE-CE 3.72Å; M644-M665 HydrophobicContact SD-CE 4.4Å; V645-M665 HydrophobicContact CG2-CB 3.83Å; V645-M665 HydrophobicContact CG2-CE 3.9Å; V645-M665 HydrophobicContact CG2-SD 4.45Å; H661-M665 VanDerWaalsContact O-CG 3.3Å; H661-M665 WeakPolarHBondContact O-CG 3.5Å; H661-M665 PolarHBondContact O-N 3.13Å; H661-M665 VanDerWaalsContact O-N 3.11Å; L662-M665 PolarHBondContact O-N 3.45Å; D663-M665 PolarHBondContact O-N 2.93Å; M665-C668 WeakPolarHBondContact O-CB 3.34Å; M665-C668 PolarHBondContact O-N 2.68Å; M665-L669 PolarHBondContact O-N 3.05Å
666W94.1Very high91.2Very high121 Ų12170.4 Ų70.446%0.45834%0.342SS..Hα-helixtrans-62.3-40.9174.4-102114.4000112.9L662 D663 R664 C668 L669 K670L662-W666 WeakPolarHBondContact O-CB 3.21Å; L662-W666 PolarHBondContact O-N 3.24Å; D663-W666 WeakPolarHBondContact O-CB 3.33Å; D663-W666 PolarHBondContact O-N 3.43Å; R664-W666 VanDerWaalsContact C-N 3.35Å; W666-C668 VanDerWaalsContact C-N 3.33Å; W666-L669 HydrophobicContact CE3-CB 4.48Å; W666-L669 HydrophobicContact CE3-CD2 3.93Å; W666-L669 HydrophobicContact CH2-CD2 4.19Å; W666-L669 HydrophobicContact CZ3-CD2 3.7Å; W666-L669 PolarHBondContact O-N 3.43Å; W666-K670 WeakPolarHBondContact O-CG 3.28Å; W666-K670 PolarHBondContact O-N 3.02Å
667I94.5Very high91.5Very high92 Ų9264.5 Ų64.547%0.47232%0.321SS..Hα-helixtrans-59.7-46.4174.1-71.1163.6000109.7D663 R664 L669 K670 I671D663-I667 VanDerWaalsContact O-CG1 3.27Å; D663-I667 WeakPolarHBondContact O-CG1 3.44Å; D663-I667 PolarHBondContact O-N 2.95Å; R664-I667 PolarHBondContact O-N 3.22Å; I667-L669 VanDerWaalsContact C-N 3.33Å; I667-L669 PolarHBondContact O-N 3.38Å; I667-K670 PolarHBondContact O-N 3.07Å; I667-I671 HydrophobicContact CG2-CD1 3.66Å; I667-I671 HydrophobicContact CG2-CG1 4.36Å; I667-I671 VanDerWaalsContact O-CG1 3.22Å; I667-I671 WeakPolarHBondContact O-CG1 3.44Å; I667-I671 PolarHBondContact O-N 3.38Å
668C94.8Very high91.7Very high6 Ų669.9 Ų69.94%0.04135%0.345CS..Hα-helixtrans-59.8-42.6176.7-62.90000112V599 I641 R664 M665 W666 I671 L672V599-C668 HydrophobicContact CG2-CB 3.71Å; I641-C668 HydrophobicContact CD1-CB 4.17Å; R664-C668 PolarHBondContact O-N 3.18Å; R664-C668 VanDerWaalsContact O-N 3.12Å; R664-C668 PolarHBondContact O-SG 3.3Å; M665-C668 WeakPolarHBondContact O-CB 3.34Å; M665-C668 PolarHBondContact O-N 2.68Å; W666-C668 VanDerWaalsContact C-N 3.33Å; C668-I671 PolarHBondContact O-N 3.14Å; C668-L672 WeakPolarHBondContact O-CG 3.34Å; C668-L672 PolarHBondContact O-N 3.37Å
669L94.3Very high91.8Very high21 Ų2167.8 Ų67.811%0.1134%0.335CS..Hα-helixtrans-62.3-43.5176.8-168.970.5000112M638 I641 A642 M665 W666 I667 L672 A673M638-L669 HydrophobicContact CB-CD1 3.75Å; M638-L669 HydrophobicContact CE-CD1 4.1Å; M638-L669 HydrophobicContact CE-CG 4.45Å; M638-L669 HydrophobicContact CG-CD1 3.88Å; I641-L669 HydrophobicContact CB-CD1 4.2Å; I641-L669 HydrophobicContact CG2-CB 4.14Å; I641-L669 HydrophobicContact CG2-CD1 4.24Å; A642-L669 HydrophobicContact CB-CD1 4.48Å; M665-L669 PolarHBondContact O-N 3.05Å; W666-L669 HydrophobicContact CE3-CB 4.48Å; W666-L669 HydrophobicContact CE3-CD2 3.93Å; W666-L669 HydrophobicContact CH2-CD2 4.19Å; W666-L669 HydrophobicContact CZ3-CD2 3.7Å; W666-L669 PolarHBondContact O-N 3.43Å; I667-L669 VanDerWaalsContact C-N 3.33Å; I667-L669 PolarHBondContact O-N 3.38Å; L669-L672 PolarHBondContact O-N 3.25Å; L669-A673 PolarHBondContact O-N 3Å; L669-A673 VanDerWaalsContact O-N 3.12Å
670K94.6Very high91.9Very high140 Ų14063.9 Ų63.961%0.60931%0.309SS*.Hα-helixtrans-63.4-40.4175.5-75.9-178.1178.5178.80111.9W666 I667 A673 D674W666-K670 WeakPolarHBondContact O-CG 3.28Å; W666-K670 PolarHBondContact O-N 3.02Å; I667-K670 PolarHBondContact O-N 3.07Å; K670-A673 PolarHBondContact O-N 3.5Å; K670-D674 VanDerWaalsContact O-CB 3.28Å; K670-D674 WeakPolarHBondContact O-CB 3.4Å; K670-D674 PolarHBondContact O-N 3.05Å
671I93.2Very high91.8Very high12 Ų1265.1 Ų65.16%0.06231%0.312CS..Hα-helixtrans-63.4-42.7178.2-68.4165.3000111V599 I667 C668 A673 D674 R675 V679 L680 F683V599-I671 HydrophobicContact CG1-CG2 3.8Å; I667-I671 HydrophobicContact CG2-CD1 3.66Å; I667-I671 HydrophobicContact CG2-CG1 4.36Å; I667-I671 VanDerWaalsContact O-CG1 3.22Å; I667-I671 WeakPolarHBondContact O-CG1 3.44Å; I667-I671 PolarHBondContact O-N 3.38Å; C668-I671 PolarHBondContact O-N 3.14Å; I671-A673 VanDerWaalsContact C-N 3.31Å; I671-A673 PolarHBondContact O-N 2.82Å; I671-D674 PolarHBondContact O-N 2.99Å; I671-R675 WeakPolarHBondContact O-CA 3.31Å; I671-R675 PolarHBondContact O-N 2.79Å; I671-V679 HydrophobicContact CD1-CG1 3.79Å; I671-V679 HydrophobicContact CG1-CG1 3.88Å; I671-V679 HydrophobicContact CG2-CG1 4.12Å; I671-L680 HydrophobicContact CG2-CD2 3.62Å; I671-L680 HydrophobicContact CG2-CG 4.33Å; I671-F683 HydrophobicContact CD1-CD2 4.17Å; I671-F683 HydrophobicContact CD1-CE1 4.41Å; I671-F683 HydrophobicContact CD1-CE2 3.34Å; I671-F683 HydrophobicContact CD1-CZ 3.48Å; I671-F683 VanDerWaalsContact CD1-CZ 3.48Å
672L93Very high91.5Very high0 Ų066 Ų660%032%0.324CS..Hα-helixtrans-66.5-31.2176.6-72.1170.7000113.3V599 F602 C637 M638 I641 C668 L669 R675V599-L672 HydrophobicContact CG2-CD1 4.41Å; V599-L672 HydrophobicContact CG2-CD2 4.39Å; V599-L672 HydrophobicContact CG2-CG 4.07Å; F602-L672 HydrophobicContact CB-CD2 3.57Å; F602-L672 HydrophobicContact CD1-CD2 3.74Å; F602-L672 HydrophobicContact CD2-CD2 4.41Å; F602-L672 HydrophobicContact CG-CD2 3.63Å; C637-L672 HydrophobicContact CB-CD1 3.72Å; C637-L672 HydrophobicContact CB-CD2 4.45Å; M638-L672 HydrophobicContact CG-CB 3.74Å; M638-L672 HydrophobicContact CG-CD1 4.07Å; M638-L672 HydrophobicContact SD-CB 4.26Å; I641-L672 HydrophobicContact CD1-CD1 3.64Å; C668-L672 WeakPolarHBondContact O-CG 3.34Å; C668-L672 PolarHBondContact O-N 3.37Å; L669-L672 PolarHBondContact O-N 3.25Å; L672-R675 WeakPolarHBondContact O-CG 3.31Å; L672-R675 PolarHBondContact O-NE 3.46Å
673A92.6Very high91.2Very high63 Ų6367.5 Ų67.552%0.52133%0.33SS..Hα-helixtrans-74.4-44.5176.600000112.2M638 L669 K670 I671M638-A673 HydrophobicContact CE-CB 3.85Å; M638-A673 HydrophobicContact SD-CB 4.43Å; L669-A673 PolarHBondContact O-N 3Å; L669-A673 VanDerWaalsContact O-N 3.12Å; K670-A673 PolarHBondContact O-N 3.5Å; I671-A673 VanDerWaalsContact C-N 3.31Å; I671-A673 PolarHBondContact O-N 2.82Å
674D91.8Very high90.8Very high93 Ų9364.1 Ų64.150%0.49731%0.311SS..Hα-helixtrans-81.5-33.2-175.4-169.923.1000112.8K670 I671 R676K670-D674 VanDerWaalsContact O-CB 3.28Å; K670-D674 WeakPolarHBondContact O-CB 3.4Å; K670-D674 PolarHBondContact O-N 3.05Å; I671-D674 PolarHBondContact O-N 2.99Å; D674-R676 VanDerWaalsContact C-N 3.26Å; D674-R676 PolarHBondContact O-N 3.29Å; D674-R676 WeakPolarHBondContact OD2-CD 3.25Å; D674-R676 WeakPolarHBondContact OD2-CG 3.42Å; D674-R676 IonicContact OD2-CZ 3.86Å; D674-R676 IonicContact OD2-NE 2.92Å; D674-R676 PolarHBondContact OD2-NE 3.18Å; D674-R676 IonicContact OD2-NH2 3.53Å
675R89.7Confident90.4Very high79 Ų7962.6 Ų62.630%0.29831%0.309SS..  trans5632.5175.2-53.2179.7-177.1174.46.2114.9F602 N631 A634 I671 L672 L680F602-R675 HydrophobicContact CE1-CG 4.1Å; F602-R675 HydrophobicContact CZ-CG 4.16Å; N631-R675 VanDerWaalsContact OD1-CZ 3.3Å; N631-R675 PolarHBondContact OD1-NH1 3.33Å; N631-R675 PolarHBondContact OD1-NH2 3.06Å; A634-R675 VanDerWaalsContact CB-NH2 3.34Å; I671-R675 WeakPolarHBondContact O-CA 3.31Å; I671-R675 PolarHBondContact O-N 2.79Å; L672-R675 WeakPolarHBondContact O-CG 3.31Å; L672-R675 PolarHBondContact O-NE 3.46Å; R675-L680 HydrophobicContact CB-CD1 4.46Å
676R90.1Very high89.9Confident131 Ų13166.3 Ų66.349%0.49433%0.332SS..  trans-60120.8175.2-78.9-173.5-74.6157.3-2.3110.8D674 E678 V679 L680D674-R676 VanDerWaalsContact C-N 3.26Å; D674-R676 PolarHBondContact O-N 3.29Å; D674-R676 WeakPolarHBondContact OD2-CD 3.25Å; D674-R676 WeakPolarHBondContact OD2-CG 3.42Å; D674-R676 IonicContact OD2-CZ 3.86Å; D674-R676 IonicContact OD2-NE 2.92Å; D674-R676 PolarHBondContact OD2-NE 3.18Å; D674-R676 IonicContact OD2-NH2 3.53Å; R676-E678 VanDerWaalsContact C-N 3.32Å; R676-E678 PolarHBondContact O-N 3.1Å; R676-V679 HydrophobicContact CB-CB 4.3Å; R676-V679 HydrophobicContact CB-CG2 3.97Å; R676-V679 PolarHBondContact O-N 3.3Å; R676-L680 WeakPolarHBondContact O-CG 3.3Å; R676-L680 PolarHBondContact O-N 3.44Å; R676-L680 VanDerWaalsContact O-N 3.1Å
677P85.4Confident89.2Confident73 Ų7362 Ų6247%0.47432%0.32SS..Hα-helixtrans-62.7-38.5-17324.2-32.4000112.1V679 L680 E681P677-V679 VanDerWaalsContact C-N 3.3Å; P677-V679 PolarHBondContact O-N 2.92Å; P677-L680 PolarHBondContact O-N 3.33Å; P677-E681 VanDerWaalsContact O-CB 3.27Å; P677-E681 WeakPolarHBondContact O-CB 3.37Å; P677-E681 PolarHBondContact O-N 3.48Å
678E88.5Confident88.6Confident126 Ų12659.9 Ų59.959%0.58931%0.306SS*.Hα-helixtrans-64.4-37.4-178.3-51.181.1-177.600111.4R676 A682R676-E678 VanDerWaalsContact C-N 3.32Å; R676-E678 PolarHBondContact O-N 3.1Å; E678-A682 VanDerWaalsContact O-CB 3.31Å; E678-A682 WeakPolarHBondContact O-CB 3.5Å; E678-A682 PolarHBondContact O-N 3.32Å
679V89.2Confident88.2Confident34 Ų3464 Ų6421%0.20633%0.328CS..Hα-helixtrans-74.4-41.7179.1-176.20000110.8I671 R676 P677 A682 F683I671-V679 HydrophobicContact CD1-CG1 3.79Å; I671-V679 HydrophobicContact CG1-CG1 3.88Å; I671-V679 HydrophobicContact CG2-CG1 4.12Å; R676-V679 HydrophobicContact CB-CB 4.3Å; R676-V679 HydrophobicContact CB-CG2 3.97Å; R676-V679 PolarHBondContact O-N 3.3Å; P677-V679 VanDerWaalsContact C-N 3.3Å; P677-V679 PolarHBondContact O-N 2.92Å; V679-A682 PolarHBondContact O-N 2.92Å; V679-F683 HydrophobicContact CG1-CD2 4.17Å; V679-F683 HydrophobicContact CG1-CE2 4.16Å; V679-F683 WeakPolarHBondContact O-CD2 3.37Å; V679-F683 PolarHBondContact O-N 3.47Å
680L88.5Confident87.8Confident8 Ų866.4 Ų66.44%0.04235%0.345CS..Hα-helixtrans-63.7-43.6177.6-69.1172.3000111.7V599 F602 Y603 I671 R675 R676 P677 F683 E684V599-L680 HydrophobicContact CG1-CD2 3.7Å; F602-L680 HydrophobicContact CD1-CD1 4.27Å; F602-L680 HydrophobicContact CD1-CD2 4.11Å; F602-L680 HydrophobicContact CE1-CD1 3.91Å; F602-L680 HydrophobicContact CE1-CD2 4.48Å; Y603-L680 HydrophobicContact CD2-CB 3.43Å; Y603-L680 VanDerWaalsContact CD2-CB 3.43Å; Y603-L680 HydrophobicContact CD2-CD1 4.25Å; Y603-L680 HydrophobicContact CD2-CG 4.43Å; Y603-L680 HydrophobicContact CE2-CB 4.08Å; Y603-L680 HydrophobicContact CG-CB 4Å; I671-L680 HydrophobicContact CG2-CD2 3.62Å; I671-L680 HydrophobicContact CG2-CG 4.33Å; R675-L680 HydrophobicContact CB-CD1 4.46Å; R676-L680 WeakPolarHBondContact O-CG 3.3Å; R676-L680 PolarHBondContact O-N 3.44Å; R676-L680 VanDerWaalsContact O-N 3.1Å; P677-L680 PolarHBondContact O-N 3.33Å; L680-F683 PolarHBondContact O-N 2.87Å; L680-E684 PolarHBondContact O-N 3.21Å
681E87.7Confident87.4Confident98 Ų9860.1 Ų60.146%0.45832%0.318SS..Hα-helixtrans-61.9-43.5175.5-173.5176.5179.200111.2Y603 P677 F683 E684 H685Y603-E681 HydrophobicContact CE2-CB 4.34Å; P677-E681 VanDerWaalsContact O-CB 3.27Å; P677-E681 WeakPolarHBondContact O-CB 3.37Å; P677-E681 PolarHBondContact O-N 3.48Å; E681-F683 VanDerWaalsContact C-N 3.33Å; E681-F683 PolarHBondContact O-N 3.11Å; E681-E684 PolarHBondContact O-N 3.1Å; E681-H685 PolarHBondContact O-CD2 3.22Å; E681-H685 PolarHBondContact O-N 3.41Å
682A86.7Confident87.1Confident44 Ų4462.3 Ų62.336%0.36433%0.332SS..Hα-helixtrans-60.8-39.6176.200000112.7E678 V679 E684 T686E678-A682 VanDerWaalsContact O-CB 3.31Å; E678-A682 WeakPolarHBondContact O-CB 3.5Å; E678-A682 PolarHBondContact O-N 3.32Å; V679-A682 PolarHBondContact O-N 2.92Å; A682-E684 VanDerWaalsContact C-N 3.28Å; A682-E684 PolarHBondContact O-N 2.81Å; A682-T686 WeakPolarHBondContact O-CB 3.48Å; A682-T686 PolarHBondContact O-N 3.43Å; A682-T686 PolarHBondContact O-OG1 3.11Å
683F85.2Confident86.8Confident59 Ų5969 Ų6926%0.25936%0.363SS..Hα-helixtrans-62.5-37.5176.6-97.4-109.3000112.3A596 V599 K600 I671 V679 L680 E681 S687A596-F683 HydrophobicContact CB-CE1 4.46Å; V599-F683 HydrophobicContact CB-CD1 4.25Å; V599-F683 HydrophobicContact CG1-CB 4.2Å; V599-F683 HydrophobicContact CG1-CD1 3.96Å; V599-F683 HydrophobicContact CG1-CG 4.03Å; K600-F683 WeakPolarHBondContact CE-O 3.13Å; I671-F683 HydrophobicContact CD1-CD2 4.17Å; I671-F683 HydrophobicContact CD1-CE1 4.41Å; I671-F683 HydrophobicContact CD1-CE2 3.34Å; I671-F683 HydrophobicContact CD1-CZ 3.48Å; I671-F683 VanDerWaalsContact CD1-CZ 3.48Å; V679-F683 HydrophobicContact CG1-CD2 4.17Å; V679-F683 HydrophobicContact CG1-CE2 4.16Å; V679-F683 WeakPolarHBondContact O-CD2 3.37Å; V679-F683 PolarHBondContact O-N 3.47Å; L680-F683 PolarHBondContact O-N 2.87Å; E681-F683 VanDerWaalsContact C-N 3.33Å; E681-F683 PolarHBondContact O-N 3.11Å; F683-S687 PolarHBondContact O-OG 3.4Å
684E83.9Confident86.5Confident25 Ų2569 Ų6912%0.11735%0.353CS..Hα-helixtrans-74.5-60.3-179.7179.359.5-166.600111.6K600 Y603 R604 L680 E681 A682 S687K600-E684 WeakPolarHBondContact CB-OE2 3.28Å; Y603-E684 HydrophobicContact CD1-CB 3.8Å; Y603-E684 HydrophobicContact CD1-CG 4Å; Y603-E684 HydrophobicContact CE1-CB 4.07Å; Y603-E684 HydrophobicContact CE1-CG 4.13Å; R604-E684 IonicContact CZ-OE1 3.05Å; R604-E684 IonicContact CZ-OE2 3.81Å; R604-E684 VanDerWaalsContact CZ-OE2 3.25Å; R604-E684 IonicContact NE-OE1 3.49Å; R604-E684 PolarHBondContact NE-OE1 2.88Å; R604-E684 IonicContact NE-OE2 3.5Å; R604-E684 PolarHBondContact NE-OE2 2.85Å; R604-E684 IonicContact NH2-OE1 3.97Å; R604-E684 PolarHBondContact NH2-OE1 3.31Å; R604-E684 IonicContact NH2-OE2 3.14Å; R604-E684 PolarHBondContact NH2-OE2 2.92Å; L680-E684 PolarHBondContact O-N 3.21Å; E681-E684 PolarHBondContact O-N 3.1Å; A682-E684 VanDerWaalsContact C-N 3.28Å; A682-E684 PolarHBondContact O-N 2.81Å; E684-S687 PolarHBondContact O-OG 2.81Å; E684-S687 VanDerWaalsContact O-OG 3.1Å
685H86.2Confident86.2Confident89 Ų8965 Ų6541%0.41233%0.332SS..Hα-helixtrans-70.6-48.9-169.9-75.6-79.1000113.3E681 S687 R688 D689E681-H685 PolarHBondContact O-CD2 3.22Å; E681-H685 PolarHBondContact O-N 3.41Å; H685-S687 PolarHBondContact O-N 3.43Å; H685-S687 VanDerWaalsContact O-N 3.08Å; H685-R688 PolarHBondContact O-N 2.8Å; H685-D689 VanDerWaalsContact O-CG 3.29Å; H685-D689 PolarHBondContact O-N 3.29Å
686T83.2Confident86Confident79 Ų7965 Ų6549%0.48534%0.341SS..Hα-helixtrans-55.1-39.7-173.8-47.30000111.8A682 C690A682-T686 WeakPolarHBondContact O-CB 3.48Å; A682-T686 PolarHBondContact O-N 3.43Å; A682-T686 PolarHBondContact O-OG1 3.11Å; T686-C690 WeakPolarHBondContact O-CB 3.37Å; T686-C690 PolarHBondContact O-N 3.29Å; T686-C690 PolarHBondContact O-SG 3.05Å
687S80.9Confident85.6Confident29 Ų2963.4 Ų63.420%0.20334%0.336CS..Hα-helixtrans-71.2-34.5-177.667.80000113.9E481 K600 F683 E684 H685 L691E481-S687 PolarHBondContact OE2-OG 3.12Å; K600-S687 VanDerWaalsContact CE-OG 3.29Å; K600-S687 WeakPolarHBondContact CE-OG 3.27Å; K600-S687 PolarHBondContact NZ-OG 2.93Å; F683-S687 PolarHBondContact O-OG 3.4Å; E684-S687 PolarHBondContact O-OG 2.81Å; E684-S687 VanDerWaalsContact O-OG 3.1Å; H685-S687 PolarHBondContact O-N 3.43Å; H685-S687 VanDerWaalsContact O-N 3.08Å; S687-L691 PolarHBondContact O-N 2.95Å
688R82Confident85.6Confident49 Ų4963 Ų6319%0.18533%0.327CS..Hα-helixtrans-73.6-42.1176.2-175.859.957.4133.321.4111.4E446 E481 Y482 H685 L691 T692E446-R688 WeakPolarHBondContact OE1-CD 3.46Å; E446-R688 IonicContact OE2-CZ 2.66Å; E446-R688 IonicContact OE2-NE 3.48Å; E446-R688 IonicContact OE2-NH1 3.1Å; E446-R688 PolarHBondContact OE2-NH1 3.04Å; E481-R688 VanDerWaalsContact CG-NH2 3.28Å; E481-R688 PolarHBondContact O-NH2 3.46Å; E481-R688 IonicContact OE1-CZ 2.81Å; E481-R688 IonicContact OE1-NE 3.09Å; E481-R688 PolarHBondContact OE1-NE 3.42Å; E481-R688 IonicContact OE1-NH2 3.72Å; E481-R688 PolarHBondContact OE1-NH2 3.42Å; Y482-R688 VanDerWaalsContact CZ-NH1 3.28Å; H685-R688 PolarHBondContact O-N 2.8Å; R688-L691 WeakPolarHBondContact O-CB 3.41Å; R688-L691 PolarHBondContact O-N 3.43Å; R688-T692 PolarHBondContact O-N 3.21Å; R688-T692 PolarHBondContact O-OG1 3.29Å
689D86.5Confident85.3Confident93 Ų9359.5 Ų59.550%0.49731%0.311SS..Hα-helixtrans-64.4-45.8-179.3-64-21.9000110.2H685 L691 T692 E693H685-D689 VanDerWaalsContact O-CG 3.29Å; H685-D689 PolarHBondContact O-N 3.29Å; D689-L691 VanDerWaalsContact C-N 3.32Å; D689-L691 PolarHBondContact O-N 2.91Å; D689-T692 WeakPolarHBondContact O-CB 3.43Å; D689-T692 PolarHBondContact O-N 3.39Å; D689-E693 PolarHBondContact O-N 2.86Å
690C85.7Confident84.8Confident70 Ų7060.1 Ų60.147%0.47332%0.317SS..Hα-helixtrans-61.6-36.9174.1-69.40000113.1T686 M694T686-C690 WeakPolarHBondContact O-CB 3.37Å; T686-C690 PolarHBondContact O-N 3.29Å; T686-C690 PolarHBondContact O-SG 3.05Å; C690-M694 VanDerWaalsContact O-CB 3.32Å; C690-M694 WeakPolarHBondContact O-CB 3.35Å; C690-M694 PolarHBondContact O-N 3.05Å
691L86.3Confident84.4Confident8 Ų863.4 Ų63.44%0.04233%0.332CS..Hα-helixtrans-63.4-46.9175.1177.471.4000110.6R442 E446 W477 Y482 S687 R688 D689 E693 M694 L695R442-L691 HydrophobicContact CG-CD1 3.98Å; R442-L691 HydrophobicContact CG-CD2 4.4Å; E446-L691 HydrophobicContact CG-CD2 4.38Å; W477-L691 HydrophobicContact CH2-CD1 4.05Å; W477-L691 HydrophobicContact CH2-CD2 3.8Å; W477-L691 HydrophobicContact CH2-CG 4.36Å; Y482-L691 VanDerWaalsContact OH-CD2 3.31Å; Y482-L691 WeakPolarHBondContact OH-CD2 3.27Å; S687-L691 PolarHBondContact O-N 2.95Å; R688-L691 WeakPolarHBondContact O-CB 3.41Å; R688-L691 PolarHBondContact O-N 3.43Å; D689-L691 VanDerWaalsContact C-N 3.32Å; D689-L691 PolarHBondContact O-N 2.91Å; L691-E693 VanDerWaalsContact C-N 3.34Å; L691-E693 PolarHBondContact O-N 3.5Å; L691-M694 HydrophobicContact CD1-CE 3.71Å; L691-M694 PolarHBondContact O-N 3.26Å; L691-L695 HydrophobicContact CD1-CD1 4.23Å; L691-L695 HydrophobicContact CD1-CG 4.3Å; L691-L695 HydrophobicContact CG-CD1 4.01Å; L691-L695 HydrophobicContact CG-CG 4.41Å; L691-L695 VanDerWaalsContact O-CG 3.31Å; L691-L695 WeakPolarHBondContact O-CG 3.42Å; L691-L695 PolarHBondContact O-N 3.28Å
692T87.1Confident83.9Confident58 Ų5862.1 Ų62.136%0.35632%0.323SS..Hα-helixtrans-59.2-47.7-179.9-55.70000110.4R688 D689 L695 T696R688-T692 PolarHBondContact O-N 3.21Å; R688-T692 PolarHBondContact O-OG1 3.29Å; D689-T692 WeakPolarHBondContact O-CB 3.43Å; D689-T692 PolarHBondContact O-N 3.39Å; T692-L695 PolarHBondContact O-N 3.24Å; T692-T696 WeakPolarHBondContact O-CG2 3.29Å; T692-T696 PolarHBondContact O-N 3Å; T692-T696 PolarHBondContact O-OG1 2.74Å
693E86.2Confident83.6Confident141 Ų14165.4 Ų65.466%0.65933%0.329SS*.Hα-helixtrans-62.3-42.2177.1-171.8178-168.600112.7D689 L691 L695 T696 Y697D689-E693 PolarHBondContact O-N 2.86Å; L691-E693 VanDerWaalsContact C-N 3.34Å; L691-E693 PolarHBondContact O-N 3.5Å; E693-L695 VanDerWaalsContact C-N 3.34Å; E693-L695 PolarHBondContact O-N 3.05Å; E693-T696 WeakPolarHBondContact CA-OG1 3.27Å; E693-T696 PolarHBondContact O-N 3.34Å; E693-T696 PolarHBondContact O-OG1 2.74Å; E693-Y697 WeakPolarHBondContact O-CB 3.4Å; E693-Y697 PolarHBondContact O-N 2.92Å
694M85.1Confident83.1Confident63 Ų6366.2 Ų66.231%0.3134%0.336SS..Hα-helixtrans-63.7-40.1176.1-179.9-166.372.100111.9C690 L691 Q698C690-M694 VanDerWaalsContact O-CB 3.32Å; C690-M694 WeakPolarHBondContact O-CB 3.35Å; C690-M694 PolarHBondContact O-N 3.05Å; L691-M694 HydrophobicContact CD1-CE 3.71Å; L691-M694 PolarHBondContact O-N 3.26Å; M694-Q698 WeakPolarHBondContact O-CG 3.37Å; M694-Q698 PolarHBondContact O-N 2.65Å
695L86.9Confident82.5Confident8 Ų869.9 Ų69.94%0.04236%0.356CS..Hα-helixtrans-71-37.7-180-70.4177.5000112.2E443 E446 L691 T692 E693 Y697 Q698 E699E443-L695 HydrophobicContact CB-CD2 4.06Å; E443-L695 HydrophobicContact CG-CD1 4.32Å; E443-L695 HydrophobicContact CG-CD2 3.82Å; E446-L695 HydrophobicContact CB-CD1 3.87Å; E446-L695 HydrophobicContact CG-CD1 3.87Å; L691-L695 HydrophobicContact CD1-CD1 4.23Å; L691-L695 HydrophobicContact CD1-CG 4.3Å; L691-L695 HydrophobicContact CG-CD1 4.01Å; L691-L695 HydrophobicContact CG-CG 4.41Å; L691-L695 VanDerWaalsContact O-CG 3.31Å; L691-L695 WeakPolarHBondContact O-CG 3.42Å; L691-L695 PolarHBondContact O-N 3.28Å; T692-L695 PolarHBondContact O-N 3.24Å; E693-L695 VanDerWaalsContact C-N 3.34Å; E693-L695 PolarHBondContact O-N 3.05Å; L695-Y697 VanDerWaalsContact C-N 3.34Å; L695-Q698 PolarHBondContact O-N 3.44Å; L695-E699 WeakPolarHBondContact O-CB 3.34Å; L695-E699 PolarHBondContact O-N 3.32Å
696T84.8Confident82Confident81 Ų8167.9 Ų67.950%0.49736%0.356SS..Hα-helixtrans-64.8-41174.755.20000111T692 E693 E699 S700T692-T696 WeakPolarHBondContact O-CG2 3.29Å; T692-T696 PolarHBondContact O-N 3Å; T692-T696 PolarHBondContact O-OG1 2.74Å; E693-T696 WeakPolarHBondContact CA-OG1 3.27Å; E693-T696 PolarHBondContact O-N 3.34Å; E693-T696 PolarHBondContact O-OG1 2.74Å; T696-E699 PolarHBondContact O-N 3.42Å; T696-S700 PolarHBondContact O-N 3.39Å
697Y82Confident81.5Confident97 Ų9770.5 Ų70.538%0.3836%0.36SS..Hα-helixtrans-60.6-50.5172.6-179.2-95.8000112.1E693 L695 E699 S700 E701E693-Y697 WeakPolarHBondContact O-CB 3.4Å; E693-Y697 PolarHBondContact O-N 2.92Å; L695-Y697 VanDerWaalsContact C-N 3.34Å; Y697-E699 VanDerWaalsContact C-N 3.28Å; Y697-E699 PolarHBondContact O-N 3.25Å; Y697-S700 WeakPolarHBondContact O-CB 3.37Å; Y697-S700 PolarHBondContact O-N 2.95Å; Y697-S700 VanDerWaalsContact O-N 3.07Å; Y697-S700 PolarHBondContact O-OG 3.31Å; Y697-E701 HydrophobicContact CD1-CG 4.43Å; Y697-E701 HydrophobicContact CE1-CG 3.93Å; Y697-E701 PolarHBondContact O-N 3.43Å; Y697-E701 VanDerWaalsContact O-N 3.08Å
698Q83.9Confident81.1Confident63 Ų6372 Ų7229%0.29438%0.375SS..Hα-helixtrans-61.1-36.3179.2-74.9176.95.200112.7M694 L695 E701 R702M694-Q698 WeakPolarHBondContact O-CG 3.37Å; M694-Q698 PolarHBondContact O-N 2.65Å; L695-Q698 PolarHBondContact O-N 3.44Å; Q698-E701 PolarHBondContact O-N 3.41Å; Q698-R702 WeakPolarHBondContact O-CG 3.49Å; Q698-R702 PolarHBondContact O-N 2.94Å
699E82.7Confident80.6Confident54 Ų5475 Ų7525%0.25239%0.386SS..Hα-helixtrans-65.5-40.6174.4-173.3178.4162.100112.1R447 L695 T696 Y697 E701 R702 K703R447-E699 IonicContact CZ-OE2 3.13Å; R447-E699 VanDerWaalsContact CZ-OE2 3.28Å; R447-E699 IonicContact NH1-OE2 2.72Å; R447-E699 PolarHBondContact NH1-OE2 3.45Å; R447-E699 IonicContact NH2-OE2 2.79Å; R447-E699 PolarHBondContact NH2-OE2 2.93Å; L695-E699 WeakPolarHBondContact O-CB 3.34Å; L695-E699 PolarHBondContact O-N 3.32Å; T696-E699 PolarHBondContact O-N 3.42Å; Y697-E699 VanDerWaalsContact C-N 3.28Å; Y697-E699 PolarHBondContact O-N 3.25Å; E699-E701 VanDerWaalsContact C-N 3.3Å; E699-E701 PolarHBondContact O-N 2.66Å; E699-R702 PolarHBondContact O-N 3.42Å; E699-K703 HydrophobicContact CG-CD 4.35Å; E699-K703 WeakPolarHBondContact O-CG 3.03Å; E699-K703 PolarHBondContact O-N 3.46Å; E699-K703 WeakPolarHBondContact OE1-CE 3.22Å; E699-K703 IonicContact OE1-NZ 3.89Å; E699-K703 PolarHBondContact OE1-NZ 3.46Å
700S79.9Confident79.9Confident47 Ų4773 Ų7333%0.32938%0.375SS..Hα-helixtrans-59.4-42.7174.981.50000111.6T696 Y697 K703 N704T696-S700 PolarHBondContact O-N 3.39Å; Y697-S700 WeakPolarHBondContact O-CB 3.37Å; Y697-S700 PolarHBondContact O-N 2.95Å; Y697-S700 VanDerWaalsContact O-N 3.07Å; Y697-S700 PolarHBondContact O-OG 3.31Å; S700-K703 PolarHBondContact O-N 2.97Å; S700-N704 PolarHBondContact O-N 3.07Å; S700-N704 PolarHBondContact O-ND2 3.4Å
701E78.5Confident79.2Confident77 Ų7774.6 Ų74.636%0.3638%0.376SS..Hα-helixtrans-66.2-44.7177.6-77.2-66.597.700112.1Y697 Q698 E699 K703 N704 N705Y697-E701 HydrophobicContact CD1-CG 4.43Å; Y697-E701 HydrophobicContact CE1-CG 3.93Å; Y697-E701 PolarHBondContact O-N 3.43Å; Y697-E701 VanDerWaalsContact O-N 3.08Å; Q698-E701 PolarHBondContact O-N 3.41Å; E699-E701 VanDerWaalsContact C-N 3.3Å; E699-E701 PolarHBondContact O-N 2.66Å; E701-K703 VanDerWaalsContact C-N 3.31Å; E701-K703 PolarHBondContact O-N 3.44Å; E701-N704 PolarHBondContact O-N 3.04Å; E701-N705 WeakPolarHBondContact O-CB 3.33Å; E701-N705 VanDerWaalsContact O-CG 3.29Å; E701-N705 PolarHBondContact O-N 3.16Å; E701-N705 PolarHBondContact O-ND2 3.07Å
702R78.7Confident78.2Confident71 Ų7176 Ų7627%0.26839%0.392SS..Hα-helixtrans-58.8-42.4174.2-73.8-174.2-172.7133.50.9111.5Y402 D403 E443 Q698 E699 N705 A706Y402-R702 PolarHBondContact OH-NH2 3.11Å; Y402-R702 VanDerWaalsContact OH-NH2 3.12Å; D403-R702 IonicContact OD1-NE 3.73Å; E443-R702 IonicContact OE1-NH1 3.88Å; E443-R702 PolarHBondContact OE1-NH1 3.47Å; E443-R702 IonicContact OE2-CZ 3.25Å; E443-R702 IonicContact OE2-NH1 2.74Å; E443-R702 PolarHBondContact OE2-NH1 3Å; E443-R702 IonicContact OE2-NH2 3.08Å; E443-R702 PolarHBondContact OE2-NH2 2.83Å; Q698-R702 WeakPolarHBondContact O-CG 3.49Å; Q698-R702 PolarHBondContact O-N 2.94Å; E699-R702 PolarHBondContact O-N 3.42Å; R702-N705 PolarHBondContact O-N 3.12Å; R702-A706 VanDerWaalsContact O-CB 3.32Å; R702-A706 WeakPolarHBondContact O-CB 3.42Å; R702-A706 PolarHBondContact O-N 3.01Å
703K78.8Confident77.3Confident113 Ų11374.4 Ų74.449%0.49138%0.381SS..Hα-helixtrans-65.1-40.2176.7-74.5174-175.8167.40111.9E699 S700 E701 A706 K707E699-K703 HydrophobicContact CG-CD 4.35Å; E699-K703 WeakPolarHBondContact O-CG 3.03Å; E699-K703 PolarHBondContact O-N 3.46Å; E699-K703 WeakPolarHBondContact OE1-CE 3.22Å; E699-K703 IonicContact OE1-NZ 3.89Å; E699-K703 PolarHBondContact OE1-NZ 3.46Å; S700-K703 PolarHBondContact O-N 2.97Å; E701-K703 VanDerWaalsContact C-N 3.31Å; E701-K703 PolarHBondContact O-N 3.44Å; K703-A706 PolarHBondContact O-N 2.94Å; K703-K707 VanDerWaalsContact O-CG 3.3Å; K703-K707 WeakPolarHBondContact O-CG 3.29Å; K703-K707 PolarHBondContact O-N 2.93Å
704N74.8Confident76.5Confident76 Ų7671.6 Ų71.641%0.40637%0.37SS..Hα-helixtrans-66.3-44.5177-69.2-21.1000111.5S700 E701 A706 K707 A708S700-N704 PolarHBondContact O-N 3.07Å; S700-N704 PolarHBondContact O-ND2 3.4Å; E701-N704 PolarHBondContact O-N 3.04Å; N704-A706 PolarHBondContact O-N 3.26Å; N704-K707 WeakPolarHBondContact O-CB 3.31Å; N704-K707 PolarHBondContact O-N 2.9Å; N704-A708 PolarHBondContact O-N 3.2Å
705N73.3Confident75.7Confident101 Ų10173 Ų7354%0.5438%0.376SS..Hα-helixtrans-63.6-40.5176.2-70.9-23.5000112E701 R702 A708 R709E701-N705 WeakPolarHBondContact O-CB 3.33Å; E701-N705 VanDerWaalsContact O-CG 3.29Å; E701-N705 PolarHBondContact O-N 3.16Å; E701-N705 PolarHBondContact O-ND2 3.07Å; R702-N705 PolarHBondContact O-N 3.12Å; N705-A708 PolarHBondContact O-N 3.01Å; N705-R709 WeakPolarHBondContact O-CB 3.29Å; N705-R709 PolarHBondContact O-N 3.47Å
706A73.9Confident74.8Confident48 Ų4875 Ų7540%0.39739%0.385SS..Hα-helixtrans-63.9-40.3174.500000112.1R702 K703 N704 N710R702-A706 VanDerWaalsContact O-CB 3.32Å; R702-A706 WeakPolarHBondContact O-CB 3.42Å; R702-A706 PolarHBondContact O-N 3.01Å; K703-A706 PolarHBondContact O-N 2.94Å; N704-A706 PolarHBondContact O-N 3.26Å; A706-N710 VanDerWaalsContact O-CB 3.29Å; A706-N710 WeakPolarHBondContact O-CB 3.37Å; A706-N710 PolarHBondContact O-N 2.86Å; A706-N710 PolarHBondContact O-ND2 3.41Å
707K73.6Confident74.1Confident133 Ų13376 Ų7658%0.57838%0.384SS*.Hα-helixtrans-63.9-44.6174.5-75.1173.1-177.51770111.8K703 N704 N710 Q711K703-K707 VanDerWaalsContact O-CG 3.3Å; K703-K707 WeakPolarHBondContact O-CG 3.29Å; K703-K707 PolarHBondContact O-N 2.93Å; N704-K707 WeakPolarHBondContact O-CB 3.31Å; N704-K707 PolarHBondContact O-N 2.9Å; K707-N710 CarbonylContact O-C 3.51Å; K707-N710 PolarHBondContact O-N 3.25Å; K707-Q711 WeakPolarHBondContact O-CA 3.34Å; K707-Q711 PolarHBondContact O-N 3.14Å
708A71.8Confident73.7Confident62 Ų6277.6 Ų77.651%0.51239%0.393SS..Hα-helixtrans-62.9-45.1177.400000111.7N704 N705 N710 Q711N704-A708 PolarHBondContact O-N 3.2Å; N705-A708 PolarHBondContact O-N 3.01Å; A708-N710 VanDerWaalsContact C-N 3.3Å; A708-N710 PolarHBondContact O-N 3.4Å; A708-Q711 VanDerWaalsContact O-CB 3.29Å; A708-Q711 WeakPolarHBondContact O-CB 3.49Å; A708-Q711 PolarHBondContact O-N 3.11Å
709R71.1Confident73Confident111 Ų11180.2 Ų80.242%0.41941%0.405SS..Hα-helixtrans-65.6-31.8178.3-173.1174.9175.1166.3-2.2113.1N339 D343 N705N339-R709 PolarHBondContact O-NH2 2.72Å; D343-R709 IonicContact OD1-CZ 3.19Å; D343-R709 IonicContact OD1-NE 2.84Å; D343-R709 PolarHBondContact OD1-NE 2.77Å; D343-R709 IonicContact OD1-NH1 2.84Å; D343-R709 IonicContact OD1-NH2 2.65Å; D343-R709 PolarHBondContact OD1-NH2 3Å; D343-R709 VanDerWaalsContact OD1-NH2 3.14Å; D343-R709 IonicContact OD2-CZ 3.64Å; D343-R709 IonicContact OD2-NE 3.48Å; D343-R709 PolarHBondContact OD2-NE 2.9Å; D343-R709 VanDerWaalsContact OD2-NE 3.1Å; D343-R709 IonicContact OD2-NH2 2.74Å; D343-R709 PolarHBondContact OD2-NH2 2.88Å; N705-R709 WeakPolarHBondContact O-CB 3.29Å; N705-R709 PolarHBondContact O-N 3.47Å
710N72.9Confident72.3Confident50 Ų5081.4 Ų81.427%0.26741%0.413SS..THydrogen-bonded Turntrans-95.76.5178.5-66.9-30.3000113.3A706 K707 A708 G712 L713 I714A706-N710 VanDerWaalsContact O-CB 3.29Å; A706-N710 WeakPolarHBondContact O-CB 3.37Å; A706-N710 PolarHBondContact O-N 2.86Å; A706-N710 PolarHBondContact O-ND2 3.41Å; K707-N710 CarbonylContact O-C 3.51Å; K707-N710 PolarHBondContact O-N 3.25Å; A708-N710 VanDerWaalsContact C-N 3.3Å; A708-N710 PolarHBondContact O-N 3.4Å; N710-G712 PolarHBondContact O-N 3.27Å; N710-L713 WeakPolarHBondContact O-CB 3.28Å; N710-L713 PolarHBondContact O-N 3.1Å; N710-L713 VanDerWaalsContact O-N 3.1Å; N710-I714 HydrophobicContact CB-CD1 4.05Å; N710-I714 HydrophobicContact CB-CG1 4.36Å; N710-I714 VanDerWaalsContact O-CG1 3.25Å; N710-I714 WeakPolarHBondContact O-CG1 3.46Å; N710-I714 PolarHBondContact O-N 2.88Å
711Q71.6Confident71.7Confident105 Ų10581.9 Ų81.949%0.49142%0.419SS..Hα-helixtrans-57.5-47.5-174.9-179.2173.7-2.600112K707 A708 L713 I714 E715K707-Q711 WeakPolarHBondContact O-CA 3.34Å; K707-Q711 PolarHBondContact O-N 3.14Å; A708-Q711 VanDerWaalsContact O-CB 3.29Å; A708-Q711 WeakPolarHBondContact O-CB 3.49Å; A708-Q711 PolarHBondContact O-N 3.11Å; Q711-L713 VanDerWaalsContact C-N 3.28Å; Q711-L713 PolarHBondContact O-N 3.07Å; Q711-I714 PolarHBondContact O-N 2.87Å; Q711-I714 VanDerWaalsContact O-N 3.15Å; Q711-E715 HydrophobicContact CG-CG 4.31Å; Q711-E715 VanDerWaalsContact CG-OE1 3.25Å; Q711-E715 WeakPolarHBondContact CG-OE1 3.26Å; Q711-E715 PolarHBondContact NE2-OE1 3.22Å; Q711-E715 WeakPolarHBondContact O-CB 3.5Å; Q711-E715 WeakPolarHBondContact O-CG 3.31Å; Q711-E715 PolarHBondContact O-N 3.01Å
712G64.7Low71.2Confident38 Ų3882.8 Ų82.839%0.39242%0.424SS..Hα-helixtrans-61.1-36178.300000113.3N710 H716N710-G712 PolarHBondContact O-N 3.27Å; G712-H716 WeakPolarHBondContact O-CB 3.38Å; G712-H716 PolarHBondContact O-N 3.43Å
713L67.6Low70.5Confident23 Ų2385.4 Ų85.412%0.1244%0.442CS..Hα-helixtrans-70.1-43175-175.781.8000111.3Q309 E312 N710 Q711 E715 H716 Q717Q309-L713 WeakPolarHBondContact O-CD1 3.46Å; E312-L713 HydrophobicContact CB-CD1 4.49Å; E312-L713 WeakPolarHBondContact OE2-CD2 3.25Å; N710-L713 WeakPolarHBondContact O-CB 3.28Å; N710-L713 PolarHBondContact O-N 3.1Å; N710-L713 VanDerWaalsContact O-N 3.1Å; Q711-L713 VanDerWaalsContact C-N 3.28Å; Q711-L713 PolarHBondContact O-N 3.07Å; L713-E715 VanDerWaalsContact C-N 3.35Å; L713-H716 PolarHBondContact O-N 3.33Å; L713-Q717 WeakPolarHBondContact O-CB 3.46Å; L713-Q717 VanDerWaalsContact O-CG 3.25Å; L713-Q717 WeakPolarHBondContact O-CG 3.38Å; L713-Q717 PolarHBondContact O-N 3.22Å
714I69.8Low70Confident83 Ų8386.1 Ų86.143%0.42645%0.451SS..Hα-helixtrans-63.8-42.7178.3-67.9163.7000110.1N710 Q711 Q717 K718N710-I714 HydrophobicContact CB-CD1 4.05Å; N710-I714 HydrophobicContact CB-CG1 4.36Å; N710-I714 VanDerWaalsContact O-CG1 3.25Å; N710-I714 WeakPolarHBondContact O-CG1 3.46Å; N710-I714 PolarHBondContact O-N 2.88Å; Q711-I714 PolarHBondContact O-N 2.87Å; Q711-I714 VanDerWaalsContact O-N 3.15Å; I714-Q717 PolarHBondContact O-N 2.71Å; I714-K718 VanDerWaalsContact O-CB 3.27Å; I714-K718 WeakPolarHBondContact O-CB 3.37Å; I714-K718 PolarHBondContact O-N 3.19Å
715E68.9Low69.8Low93 Ų9390 Ų9044%0.43546%0.46SS..Hα-helixtrans-62.5-45.6175.3-74.9172.9-174.100111.1Q711 L713 K718 Q719Q711-E715 HydrophobicContact CG-CG 4.31Å; Q711-E715 VanDerWaalsContact CG-OE1 3.25Å; Q711-E715 WeakPolarHBondContact CG-OE1 3.26Å; Q711-E715 PolarHBondContact NE2-OE1 3.22Å; Q711-E715 WeakPolarHBondContact O-CB 3.5Å; Q711-E715 WeakPolarHBondContact O-CG 3.31Å; Q711-E715 PolarHBondContact O-N 3.01Å; L713-E715 VanDerWaalsContact C-N 3.35Å; E715-K718 PolarHBondContact O-N 2.84Å; E715-Q719 WeakPolarHBondContact O-CG 3.42Å; E715-Q719 PolarHBondContact O-N 3.02Å
716H67.6Low69.5Low49 Ų4990.6 Ų90.623%0.22748%0.479CS..Hα-helixtrans-63.2-43.7176.4-175.357.4000112.5Y310 G712 L713 K718 Q719 L720Y310-H716 AromaticContact CD1-CE1 3.94Å; Y310-H716 AromaticContact CD1-NE2 3.85Å; G712-H716 WeakPolarHBondContact O-CB 3.38Å; G712-H716 PolarHBondContact O-N 3.43Å; L713-H716 PolarHBondContact O-N 3.33Å; H716-K718 VanDerWaalsContact C-N 3.32Å; H716-K718 PolarHBondContact O-N 2.84Å; H716-Q719 PolarHBondContact O-N 2.84Å; H716-L720 WeakPolarHBondContact NE2-CD1 3.41Å; H716-L720 PolarHBondContact O-N 2.65Å
717Q70.5Confident69.5Low101 Ų10194.4 Ų94.447%0.47249%0.493SS..Hα-helixtrans-63.7-38.2175.5-74.5176.45.200111.8L713 I714 L720 A721L713-Q717 WeakPolarHBondContact O-CB 3.46Å; L713-Q717 VanDerWaalsContact O-CG 3.25Å; L713-Q717 WeakPolarHBondContact O-CG 3.38Å; L713-Q717 PolarHBondContact O-N 3.22Å; I714-Q717 PolarHBondContact O-N 2.71Å; Q717-L720 PolarHBondContact O-N 2.89Å; Q717-A721 VanDerWaalsContact O-CB 3.29Å; Q717-A721 WeakPolarHBondContact O-CB 3.41Å; Q717-A721 PolarHBondContact O-N 3.16Å
718K72.8Confident69Low131 Ų13189.3 Ų89.357%0.5748%0.476SS*.Hα-helixtrans-65.1-43.9175.4-172.8-176.8175.7-168.10111.2I714 E715 H716 A721 E722I714-K718 VanDerWaalsContact O-CB 3.27Å; I714-K718 WeakPolarHBondContact O-CB 3.37Å; I714-K718 PolarHBondContact O-N 3.19Å; E715-K718 PolarHBondContact O-N 2.84Å; H716-K718 VanDerWaalsContact C-N 3.32Å; H716-K718 PolarHBondContact O-N 2.84Å; K718-A721 PolarHBondContact O-N 2.82Å; K718-E722 VanDerWaalsContact CE-OE1 3.22Å; K718-E722 WeakPolarHBondContact CE-OE1 3.26Å; K718-E722 WeakPolarHBondContact O-CB 3.33Å; K718-E722 WeakPolarHBondContact O-CG 3.48Å; K718-E722 PolarHBondContact O-N 3.37Å
719Q69.7Low68.6Low119 Ų11991.8 Ų91.856%0.55649%0.487SS*.Hα-helixtrans-60.4-45.8174.8-72.9170.93.100111.7E715 H716 A721 E722 L723E715-Q719 WeakPolarHBondContact O-CG 3.42Å; E715-Q719 PolarHBondContact O-N 3.02Å; H716-Q719 PolarHBondContact O-N 2.84Å; Q719-A721 VanDerWaalsContact C-N 3.33Å; Q719-A721 PolarHBondContact O-N 2.9Å; Q719-E722 PolarHBondContact O-N 3.34Å; Q719-L723 WeakPolarHBondContact O-CB 3.47Å; Q719-L723 PolarHBondContact O-N 3.06Å
720L67.4Low68.2Low78 Ų7892.8 Ų92.841%0.40850%0.499SS..Hα-helixtrans-62.8-39.5174.9-78167.8000112.2H716 Q717 L723 N724H716-L720 WeakPolarHBondContact NE2-CD1 3.41Å; H716-L720 PolarHBondContact O-N 2.65Å; Q717-L720 PolarHBondContact O-N 2.89Å; L720-L723 PolarHBondContact O-N 3.36Å; L720-N724 WeakPolarHBondContact O-CB 3.27Å; L720-N724 VanDerWaalsContact O-CG 3.28Å; L720-N724 PolarHBondContact O-N 3.34Å; L720-N724 VanDerWaalsContact O-N 3.09Å; L720-N724 PolarHBondContact O-ND2 3.04Å
721A67.8Low67.3Low57 Ų5796.9 Ų96.947%0.47151%0.514SS..Hα-helixtrans-65.8-44.7176.900000111.2Q717 K718 Q719 L723 N724 R725Q717-A721 VanDerWaalsContact O-CB 3.29Å; Q717-A721 WeakPolarHBondContact O-CB 3.41Å; Q717-A721 PolarHBondContact O-N 3.16Å; K718-A721 PolarHBondContact O-N 2.82Å; Q719-A721 VanDerWaalsContact C-N 3.33Å; Q719-A721 PolarHBondContact O-N 2.9Å; A721-L723 VanDerWaalsContact C-N 3.33Å; A721-L723 PolarHBondContact O-N 3.32Å; A721-N724 PolarHBondContact O-N 3.2Å; A721-R725 WeakPolarHBondContact O-CG 3.38Å; A721-R725 PolarHBondContact O-N 3.45Å
722E68.5Low66.5Low97 Ų9798 Ų9845%0.45352%0.518SS..Hα-helixtrans-60.9-40.7174.6-77.1176.1-177.100111.8K718 Q719 N724 R725 A728K718-E722 VanDerWaalsContact CE-OE1 3.22Å; K718-E722 WeakPolarHBondContact CE-OE1 3.26Å; K718-E722 WeakPolarHBondContact O-CB 3.33Å; K718-E722 WeakPolarHBondContact O-CG 3.48Å; K718-E722 PolarHBondContact O-N 3.37Å; Q719-E722 PolarHBondContact O-N 3.34Å; E722-N724 VanDerWaalsContact C-N 3.29Å; E722-N724 PolarHBondContact O-N 3.32Å; E722-R725 PolarHBondContact O-N 3.33Å; E722-A728 VanDerWaalsContact O-CB 3.27Å; E722-A728 WeakPolarHBondContact O-CB 3.18Å
723L63.7Low65.6Low125 Ų12599.2 Ų99.265%0.65452%0.52SS*.Hα-helixtrans-65.3-31.6176.8-151.6100000112.9Q719 L720 A721Q719-L723 WeakPolarHBondContact O-CB 3.47Å; Q719-L723 PolarHBondContact O-N 3.06Å; L720-L723 PolarHBondContact O-N 3.36Å; A721-L723 VanDerWaalsContact C-N 3.33Å; A721-L723 PolarHBondContact O-N 3.32Å
724N67.3Low64.5Low128 Ų128106.3 Ų106.368%0.68456%0.557SS**THydrogen-bonded Turntrans-91.32.1-177.8-72-45.3000114L720 A721 E722L720-N724 WeakPolarHBondContact O-CB 3.27Å; L720-N724 VanDerWaalsContact O-CG 3.28Å; L720-N724 PolarHBondContact O-N 3.34Å; L720-N724 VanDerWaalsContact O-N 3.09Å; L720-N724 PolarHBondContact O-ND2 3.04Å; A721-N724 PolarHBondContact O-N 3.2Å; E722-N724 VanDerWaalsContact C-N 3.29Å; E722-N724 PolarHBondContact O-N 3.32Å
725R72.1Confident63.4Low158 Ų158109.3 Ų109.360%0.59657%0.574SS**SBendtrans-68.7143.5174.5-73.1176.392.41313.7110.1A721 E722 D727 A728A721-R725 WeakPolarHBondContact O-CG 3.38Å; A721-R725 PolarHBondContact O-N 3.45Å; E722-R725 PolarHBondContact O-N 3.33Å; R725-D727 WeakPolarHBondContact CB-OD1 3.41Å; R725-D727 IonicContact NE-OD1 3.79Å; R725-D727 PolarHBondContact O-N 2.85Å; R725-A728 HydrophobicContact CB-CB 4.31Å; R725-A728 WeakPolarHBondContact O-CB 3.31Å; R725-A728 PolarHBondContact O-N 3.23Å
726A67.2Low62.2Low113 Ų113107.3 Ų107.393%0.93457%0.567SS**THydrogen-bonded Turntrans-62-28.1-178.500000113
727D73.3Confident60.9Low128 Ų128107.6 Ų107.668%0.68458%0.584SS**THydrogen-bonded Turntrans-92.94.8177.451.4-41.5000113.7R725R725-D727 WeakPolarHBondContact CB-OD1 3.41Å; R725-D727 IonicContact NE-OD1 3.79Å; R725-D727 PolarHBondContact O-N 2.85Å
728A62.2Low59.3Low27 Ų27111.2 Ų111.222%0.22360%0.601CS.*  trans-64.4132179.800000111E722 R725 I730E722-A728 VanDerWaalsContact O-CB 3.27Å; E722-A728 WeakPolarHBondContact O-CB 3.18Å; R725-A728 HydrophobicContact CB-CB 4.31Å; R725-A728 WeakPolarHBondContact O-CB 3.31Å; R725-A728 PolarHBondContact O-N 3.23Å; A728-I730 PolarHBondContact O-N 2.88Å
729P64.7Low57.7Low113 Ų113111.6 Ų111.673%0.73461%0.614SS**  trans-61.8123.8174.124.9-32000109.3K731P729-K731 PolarHBondContact O-N 3.4Å
730I62.3Low56.2Low133 Ų133112.6 Ų112.668%0.68262%0.619SS**  trans-66.9103.2172-60173.4000107.1A728 F732A728-I730 PolarHBondContact O-N 2.88Å; I730-F732 HydrophobicContact CG2-CE1 4.34Å; I730-F732 HydrophobicContact CG2-CE2 4.41Å; I730-F732 HydrophobicContact CG2-CZ 4.26Å; I730-F732 WeakPolarHBondContact O-CD2 3.41Å; I730-F732 PolarHBondContact O-N 2.83Å
731K53.8Low54.7Low135 Ų135112.3 Ų112.359%0.58761%0.614SS**  trans-70102.3170.2-71.1-170.5174.2-168.50108.1P729 S733 E740P729-K731 PolarHBondContact O-N 3.4Å; K731-S733 PolarHBondContact O-N 2.93Å; K731-E740 IonicContact NZ-OE2 2.7Å
732F54.8Low53.4Low130 Ų130113 Ų11357%0.5763%0.627SS**  trans-67.6102.3169.9-65.9-83.4000108.3I730 L734 L735 T736I730-F732 HydrophobicContact CG2-CE1 4.34Å; I730-F732 HydrophobicContact CG2-CE2 4.41Å; I730-F732 HydrophobicContact CG2-CZ 4.26Å; I730-F732 WeakPolarHBondContact O-CD2 3.41Å; I730-F732 PolarHBondContact O-N 2.83Å; F732-L734 PolarHBondContact O-N 3.32Å; F732-L735 HydrophobicContact CB-CB 4.08Å; F732-L735 HydrophobicContact CB-CD1 3.82Å; F732-L735 HydrophobicContact CB-CG 3.88Å; F732-L735 HydrophobicContact CD2-CD1 4.09Å; F732-L735 HydrophobicContact CG-CD1 4.12Å; F732-L735 PolarHBondContact O-N 3.18Å; F732-T736 PolarHBondContact O-N 3.18Å
733S46.3Very low52Low62 Ų62113.4 Ų113.443%0.43463%0.632SS.*THydrogen-bonded Turntrans-51.5-25.71771650000113.6K731 T736 F741K731-S733 PolarHBondContact O-N 2.93Å; S733-T736 WeakPolarHBondContact CA-OG1 3.42Å; S733-T736 PolarHBondContact O-OG1 3.09Å; S733-F741 VanDerWaalsContact OG-CE1 3.22Å; S733-F741 WeakPolarHBondContact OG-CE1 3.09Å; S733-F741 WeakPolarHBondContact OG-CZ 3.41Å
734L43.7Very low51Low173 Ų173111.2 Ų111.291%0.90662%0.624SS**THydrogen-bonded Turntrans-78.2-19.4174.8-76.1160.7000114.4F732F732-L734 PolarHBondContact O-N 3.32Å
735L46.3Very low50.1Low146 Ų146108.5 Ų108.576%0.76461%0.612SS**THydrogen-bonded Turntrans-98.2-19.3178.3-63.9178.4000112.5F732 G737F732-L735 HydrophobicContact CB-CB 4.08Å; F732-L735 HydrophobicContact CB-CD1 3.82Å; F732-L735 HydrophobicContact CB-CG 3.88Å; F732-L735 HydrophobicContact CD2-CD1 4.09Å; F732-L735 HydrophobicContact CG-CD1 4.12Å; F732-L735 PolarHBondContact O-N 3.18Å; L735-G737 PolarHBondContact O-N 3.22Å
736T44Very low49Very low50 Ų50103.1 Ų103.131%0.30760%0.595SS.*SBendtrans-77.7116.5171.845.70000109F732 S733F732-T736 PolarHBondContact O-N 3.18Å; S733-T736 WeakPolarHBondContact CA-OG1 3.42Å; S733-T736 PolarHBondContact O-OG1 3.09Å
737G39.6Very low48.4Very low55 Ų55101 Ų10157%0.56756%0.563SS**  trans-47145172.900000110.8L735 T739L735-G737 PolarHBondContact O-N 3.22Å; G737-T739 PolarHBondContact O-N 3.18Å
738Q37.6Very low47.3Very low178 Ų17898.3 Ų98.383%0.83255%0.545SS*.THydrogen-bonded Turntrans-54.910.8-164.5-70.9-179.1-20.300117.7
739T39.6Very low46.8Very low139 Ų139101.6 Ų101.685%0.85356%0.559SS**THydrogen-bonded Turntrans-95.7-16-171.89.90000115.6G737G737-T739 PolarHBondContact O-N 3.18Å
740E37.3Very low46.2Very low139 Ų13999.4 Ų99.465%0.6554%0.541SS*.  trans-95.14.3-178.4-81.7-162.2167.600115.4K731 G742K731-E740 IonicContact NZ-OE2 2.7Å; E740-G742 PolarHBondContact O-N 3.18Å
741F37.2Very low45.7Very low72 Ų7296.6 Ų96.632%0.31653%0.53SS..  trans-78.592.6176.7-74.2-80.7000111.2S733 D743 T744S733-F741 VanDerWaalsContact OG-CE1 3.22Å; S733-F741 WeakPolarHBondContact OG-CE1 3.09Å; S733-F741 WeakPolarHBondContact OG-CZ 3.41Å; F741-D743 PolarHBondContact O-N 3.32Å; F741-D743 VanDerWaalsContact O-N 3.12Å; F741-T744 HydrophobicContact CB-CG2 3.72Å; F741-T744 WeakPolarHBondContact CB-OG1 3.32Å; F741-T744 HydrophobicContact CD1-CG2 4.21Å; F741-T744 HydrophobicContact CG-CG2 3.94Å; F741-T744 PolarHBondContact O-N 3.49Å; F741-T744 VanDerWaalsContact O-N 3.11Å; F741-T744 PolarHBondContact O-OG1 2.85Å
742G39.8Very low45.4Very low71 Ų7194.7 Ų94.773%0.73253%0.526SS*.THydrogen-bonded Turntrans-56.5-19.1162.200000113.3E740E740-G742 PolarHBondContact O-N 3.18Å
743D39.8Very low45.1Very low106 Ų10690.3 Ų90.357%0.56751%0.511SS*.THydrogen-bonded Turntrans-87.4-11.3177.1-96.61.7000114.7L235 F741L235-D743 WeakPolarHBondContact CD2-O 3.43Å; F741-D743 PolarHBondContact O-N 3.32Å; F741-D743 VanDerWaalsContact O-N 3.12Å
744T43.1Very low45.2Very low79 Ų7992.1 Ų92.149%0.48551%0.513SS..THydrogen-bonded Turntrans-111-4.6-179.764.30000114.3F741 D746F741-T744 HydrophobicContact CB-CG2 3.72Å; F741-T744 WeakPolarHBondContact CB-OG1 3.32Å; F741-T744 HydrophobicContact CD1-CG2 4.21Å; F741-T744 HydrophobicContact CG-CG2 3.94Å; F741-T744 PolarHBondContact O-N 3.49Å; F741-T744 VanDerWaalsContact O-N 3.11Å; F741-T744 PolarHBondContact O-OG1 2.85Å; T744-D746 PolarHBondContact O-N 2.83Å
745V47.5Very low45.2Very low72 Ų7288 Ų8844%0.43650%0.504SS..SBendtrans-69.4117.7171.6-174.80000107.2Y231 R747 L750Y231-V745 PolarHBondContact OH-O 3.03Å; V745-R747 PolarHBondContact O-N 3.46Å; V745-L750 HydrophobicContact CG1-CB 3.83Å; V745-L750 HydrophobicContact CG1-CD1 4.44Å; V745-L750 HydrophobicContact CG1-CD2 4.23Å; V745-L750 HydrophobicContact CG1-CG 4.39Å
746D48.8Very low45.3Very low45 Ų4586.9 Ų86.924%0.24150%0.498CS..  trans-55.9104.2171-174.1-18000107.3Y231 T744 F748 D749 L750Y231-D746 WeakPolarHBondContact CE1-OD1 3.35Å; T744-D746 PolarHBondContact O-N 2.83Å; D746-F748 PolarHBondContact O-N 2.69Å; D746-F748 VanDerWaalsContact OD1-CB 3.29Å; D746-F748 WeakPolarHBondContact OD1-CB 3.31Å; D746-F748 PolarHBondContact OD1-N 2.62Å; D746-D749 HydrophobicContact CB-CB 3.97Å; D746-D749 WeakPolarHBondContact O-CA 3.48Å; D746-D749 PolarHBondContact O-N 3.48Å; D746-L750 PolarHBondContact O-N 3.38Å
747R54Low45.1Very low68 Ų6886 Ų8626%0.25750%0.499SS..Hα-helixtrans-63.5-25-175.4-133.5174.866.9-169.7-11.8110.7Y231 G265 T269 V745 T751Y231-R747 WeakPolarHBondContact OH-CB 3.24Å; Y231-R747 PolarHBondContact OH-N 3.41Å; G265-R747 PolarHBondContact O-NH2 3Å; T269-R747 VanDerWaalsContact OG1-CZ 3.27Å; T269-R747 PolarHBondContact OG1-NH1 3.09Å; V745-R747 PolarHBondContact O-N 3.46Å; R747-T751 VanDerWaalsContact O-CB 3.23Å; R747-T751 WeakPolarHBondContact O-CB 3.4Å; R747-T751 PolarHBondContact O-N 3.24Å; R747-T751 PolarHBondContact O-OG1 3.28Å
748F50.8Low45.2Very low71 Ų7187.1 Ų87.131%0.31150%0.503SS..Hα-helixtrans-64.6-45.2172.3-68.6-75.7000110.3E228 Y231 D746 T751 L752E228-F748 HydrophobicContact CB-CE2 4.5Å; E228-F748 HydrophobicContact CB-CZ 4.43Å; E228-F748 HydrophobicContact CG-CD2 4.31Å; E228-F748 HydrophobicContact CG-CE2 3.99Å; E228-F748 HydrophobicContact CG-CZ 4.21Å; Y231-F748 AromaticContact CD1-CD2 3.47Å; Y231-F748 HydrophobicContact CD1-CD2 3.47Å; Y231-F748 VanDerWaalsContact CD1-CD2 3.47Å; Y231-F748 AromaticContact CD1-CE2 3.36Å; Y231-F748 HydrophobicContact CD1-CE2 3.36Å; Y231-F748 AromaticContact CE1-CD2 3.75Å; Y231-F748 HydrophobicContact CE1-CD2 3.75Å; Y231-F748 HydrophobicContact CE1-CE2 4.01Å; Y231-F748 HydrophobicContact CG-CD2 4.35Å; Y231-F748 AromaticContact CG-CE2 3.81Å; Y231-F748 HydrophobicContact CG-CE2 3.81Å; D746-F748 PolarHBondContact O-N 2.69Å; D746-F748 VanDerWaalsContact OD1-CB 3.29Å; D746-F748 WeakPolarHBondContact OD1-CB 3.31Å; D746-F748 PolarHBondContact OD1-N 2.62Å; F748-T751 PolarHBondContact O-N 3.25Å; F748-L752 WeakPolarHBondContact O-CB 3.44Å; F748-L752 PolarHBondContact O-N 3.13Å
749D52.9Low45.1Very low96 Ų9680 Ų8051%0.51348%0.478SS..Hα-helixtrans-70-36.6179.3-154.125.3000111.9D746 S753D746-D749 HydrophobicContact CB-CB 3.97Å; D746-D749 WeakPolarHBondContact O-CA 3.48Å; D746-D749 PolarHBondContact O-N 3.48Å; D749-S753 WeakPolarHBondContact O-CB 3.12Å; D749-S753 PolarHBondContact O-N 2.73Å; D749-S753 PolarHBondContact O-OG 3.47Å
750L50.9Low44.9Very low68 Ų6876.8 Ų76.836%0.35647%0.472SS..Hα-helixtrans-66.1-44.5172.9-176.466.4000112.1V745 D746 L752 S753 Q754V745-L750 HydrophobicContact CG1-CB 3.83Å; V745-L750 HydrophobicContact CG1-CD1 4.44Å; V745-L750 HydrophobicContact CG1-CD2 4.23Å; V745-L750 HydrophobicContact CG1-CG 4.39Å; D746-L750 PolarHBondContact O-N 3.38Å; L750-L752 VanDerWaalsContact C-N 3.34Å; L750-S753 PolarHBondContact O-N 3.41Å; L750-Q754 WeakPolarHBondContact O-CB 3.27Å; L750-Q754 VanDerWaalsContact O-CG 3.27Å; L750-Q754 WeakPolarHBondContact O-CG 3.23Å; L750-Q754 PolarHBondContact O-N 2.94Å
751T52.1Low44.9Very low73 Ų7379.9 Ų79.945%0.44848%0.483SS..Hα-helixtrans-68.1-38.7179.2-48.80000110.1R747 F748 Q754 A755R747-T751 VanDerWaalsContact O-CB 3.23Å; R747-T751 WeakPolarHBondContact O-CB 3.4Å; R747-T751 PolarHBondContact O-N 3.24Å; R747-T751 PolarHBondContact O-OG1 3.28Å; F748-T751 PolarHBondContact O-N 3.25Å; T751-Q754 PolarHBondContact O-N 2.87Å; T751-A755 VanDerWaalsContact O-CB 3.29Å; T751-A755 WeakPolarHBondContact O-CB 3.37Å; T751-A755 PolarHBondContact O-N 3.47Å
752L47.6Very low44.8Very low96 Ų9679.5 Ų79.550%0.50350%0.499SS..Hα-helixtrans-64.5-43.4172.9-175.563.1000111F748 L750 Q754 A755 L756F748-L752 WeakPolarHBondContact O-CB 3.44Å; F748-L752 PolarHBondContact O-N 3.13Å; L750-L752 VanDerWaalsContact C-N 3.34Å; L752-Q754 VanDerWaalsContact C-N 3.33Å; L752-Q754 PolarHBondContact O-N 3.29Å; L752-A755 PolarHBondContact O-N 3.32Å; L752-L756 HydrophobicContact CD1-CD1 4.21Å; L752-L756 HydrophobicContact CD1-CG 4.38Å; L752-L756 HydrophobicContact CG-CD1 3.93Å; L752-L756 HydrophobicContact CG-CG 4.49Å; L752-L756 WeakPolarHBondContact O-CB 3.47Å; L752-L756 WeakPolarHBondContact O-CG 3.38Å; L752-L756 PolarHBondContact O-N 3.01Å
753S48.9Very low44.3Very low38 Ų3883.7 Ų83.727%0.26651%0.505SS..Hα-helixtrans-64.2-37.4175.8-65.20000112.2D749 L750 G757 A758 G759D749-S753 WeakPolarHBondContact O-CB 3.12Å; D749-S753 PolarHBondContact O-N 2.73Å; D749-S753 PolarHBondContact O-OG 3.47Å; L750-S753 PolarHBondContact O-N 3.41Å; S753-G757 PolarHBondContact O-N 2.98Å; S753-G757 VanDerWaalsContact O-N 3.17Å; S753-A758 PolarHBondContact O-N 3.35Å; S753-G759 PolarHBondContact O-N 2.93Å
754Q48.4Very low44Very low99 Ų9984.1 Ų84.146%0.46352%0.523SS..Hα-helixtrans-68-42.3172.8-75.3174.1-2.300111.5L750 T751 L752 L756 G757L750-Q754 WeakPolarHBondContact O-CB 3.27Å; L750-Q754 VanDerWaalsContact O-CG 3.27Å; L750-Q754 WeakPolarHBondContact O-CG 3.23Å; L750-Q754 PolarHBondContact O-N 2.94Å; T751-Q754 PolarHBondContact O-N 2.87Å; L752-Q754 VanDerWaalsContact C-N 3.33Å; L752-Q754 PolarHBondContact O-N 3.29Å; Q754-L756 VanDerWaalsContact C-N 3.3Å; Q754-L756 PolarHBondContact O-N 2.83Å; Q754-G757 PolarHBondContact O-N 3.43Å
755A42.2Very low43.4Very low86 Ų8683.5 Ų83.571%0.71153%0.532SS*.Hα-helixtrans-66-32.7176.500000112.5T751 L752 G757T751-A755 VanDerWaalsContact O-CB 3.29Å; T751-A755 WeakPolarHBondContact O-CB 3.37Å; T751-A755 PolarHBondContact O-N 3.47Å; L752-A755 PolarHBondContact O-N 3.32Å; A755-G757 PolarHBondContact O-N 2.85Å
756L49.1Very low42.7Very low123 Ų12387.4 Ų87.464%0.64455%0.551SS**THydrogen-bonded Turntrans-81.30.1172.5-66.5171.2000113L752 Q754 A758L752-L756 HydrophobicContact CD1-CD1 4.21Å; L752-L756 HydrophobicContact CD1-CG 4.38Å; L752-L756 HydrophobicContact CG-CD1 3.93Å; L752-L756 HydrophobicContact CG-CG 4.49Å; L752-L756 WeakPolarHBondContact O-CB 3.47Å; L752-L756 WeakPolarHBondContact O-CG 3.38Å; L752-L756 PolarHBondContact O-N 3.01Å; Q754-L756 VanDerWaalsContact C-N 3.3Å; Q754-L756 PolarHBondContact O-N 2.83Å; L756-A758 VanDerWaalsContact C-N 3.34Å; L756-A758 PolarHBondContact O-N 3.41Å
757G39.5Very low42Very low33 Ų3387.8 Ų87.834%0.3456%0.56SS.*THydrogen-bonded Turntrans79.34.6176.700000115.8S753 Q754 A755S753-G757 PolarHBondContact O-N 2.98Å; S753-G757 VanDerWaalsContact O-N 3.17Å; Q754-G757 PolarHBondContact O-N 3.43Å; A755-G757 PolarHBondContact O-N 2.85Å
758A41.8Very low41.3Very low78 Ų7894.5 Ų94.565%0.64559%0.587SS**  trans-80.3-15-179.200000114.1S753 L756S753-A758 PolarHBondContact O-N 3.35Å; L756-A758 VanDerWaalsContact C-N 3.34Å; L756-A758 PolarHBondContact O-N 3.41Å
759G36.1Very low40.8Very low29 Ų2994.1 Ų94.130%0.29960%0.597SS.*  trans-99.932.2-170.800000116.5S753 K761S753-G759 PolarHBondContact O-N 2.93Å; G759-K761 PolarHBondContact O-N 2.74Å
760G35.6Very low40.3Very low70 Ų7094.3 Ų94.372%0.72260%0.602SS**  trans-52.7128.3176.400000111.6G762G760-G762 PolarHBondContact O-N 2.66Å
761K37.1Very low40.3Very low205 Ų20594.3 Ų94.389%0.89161%0.607SS**  trans-6472.5176.5-72.1179.4174.5178.30111G759G759-K761 PolarHBondContact O-N 2.74Å
762G34.7Very low40.3Very low64 Ų6495.8 Ų95.866%0.6661%0.607SS**  trans-82120.4166.300000109G760 A764G760-G762 PolarHBondContact O-N 2.66Å; G762-A764 PolarHBondContact O-N 2.83Å
763N30.3Very low40.7Very low158 Ų15896.9 Ų96.985%0.84561%0.613SS**  trans-46.1125.1170.6-79.5-11000110.1G765N763-G765 PolarHBondContact O-N 3.31Å
764A32.9Very low41.4Very low116 Ų11699.3 Ų99.396%0.95963%0.631SS**THydrogen-bonded Turntrans-69.225.3-169.600000115.6G762G762-A764 PolarHBondContact O-N 2.83Å
765G30.8Very low42.5Very low65 Ų6597.7 Ų97.767%0.6762%0.622SS**THydrogen-bonded Turntrans-111.5-27.2-173.300000116.1N763N763-G765 PolarHBondContact O-N 3.31Å
766D32.2Very low44.3Very low155 Ų15595.9 Ų95.983%0.82960%0.602SS**SBendtrans-118.6109.1-168.6-77.4-28.3000113.4
767A33.4Very low46Very low52 Ų5293.4 Ų93.443%0.4359%0.587SS.*  trans54.569.7149.200000118.2A769 T770 S771A767-A769 PolarHBondContact O-N 3.28Å; A767-T770 PolarHBondContact O-N 2.99Å; A767-S771 PolarHBondContact O-N 3.46Å
768Y39.1Very low48.3Very low209 Ų20995.8 Ų95.882%0.8259%0.589SS**THydrogen-bonded Turntrans-56.1-9.9172.8-156.2-101.5000115.6
769A41.8Very low50.6Low64 Ų6492.5 Ų92.553%0.52956%0.561SS.*THydrogen-bonded Turntrans-115-40.3177.100000113.5A767 L773A767-A769 PolarHBondContact O-N 3.28Å; A769-L773 WeakPolarHBondContact O-CG 3.32Å; A769-L773 PolarHBondContact O-N 2.95Å
770T41.6Very low53.2Low100 Ų10091.4 Ų91.461%0.61355%0.548SS*.Hα-helixtrans-74.7-36.9-172.5-320000112.7A767 L773 S774A767-T770 PolarHBondContact O-N 2.99Å; T770-L773 PolarHBondContact O-N 3.18Å; T770-S774 PolarHBondContact O-N 3.34Å
771S52.3Low55.6Low67 Ų6789.5 Ų89.547%0.46953%0.529SS..Hα-helixtrans-71.3-30.1179.2169.40000112.9A767 S774A767-S771 PolarHBondContact O-N 3.46Å; S771-S774 PolarHBondContact O-OG 3.49Å
772K51.9Low57.8Low104 Ų10486.3 Ų86.345%0.45252%0.515SS..Hα-helixtrans-72.2-39.8175.6-70.4-168.6177.7-175.90111.2S774 K775 Y791K772-S774 VanDerWaalsContact C-N 3.3Å; K772-S774 PolarHBondContact O-N 3.07Å; K772-K775 PolarHBondContact O-N 3.38Å; K772-K775 VanDerWaalsContact O-N 3.16Å; K772-Y791 WeakPolarHBondContact O-CE2 3.24Å
773L55.5Low60.2Low119 Ų11989 Ų8962%0.62352%0.524SS*.Hα-helixtrans-66.1-30.2178.2-74.9165.7000112.8A769 T770 K775 V776A769-L773 WeakPolarHBondContact O-CG 3.32Å; A769-L773 PolarHBondContact O-N 2.95Å; T770-L773 PolarHBondContact O-N 3.18Å; L773-K775 PolarHBondContact O-N 3.04Å; L773-K775 VanDerWaalsContact O-N 3.15Å; L773-V776 WeakPolarHBondContact O-CB 3.32Å; L773-V776 PolarHBondContact O-N 3.33Å; L773-V776 VanDerWaalsContact O-N 3.07Å
774S64.1Low62.9Low90 Ų9084.1 Ų84.163%0.62950%0.498SS*.THydrogen-bonded Turntrans-66.6-13.1175.467.10000113.8T770 S771 K772T770-S774 PolarHBondContact O-N 3.34Å; S771-S774 PolarHBondContact O-OG 3.49Å; K772-S774 VanDerWaalsContact C-N 3.3Å; K772-S774 PolarHBondContact O-N 3.07Å
775K70.5Confident65.5Low64 Ų6481 Ų8128%0.27847%0.468SS..THydrogen-bonded Turntrans-94.62.6174.8-58.9-167.8177.7-161.80113.5K772 L773 Y791 V792K772-K775 PolarHBondContact O-N 3.38Å; K772-K775 VanDerWaalsContact O-N 3.16Å; L773-K775 PolarHBondContact O-N 3.04Å; L773-K775 VanDerWaalsContact O-N 3.15Å; K775-Y791 HydrophobicContact CB-CD2 4.32Å; K775-Y791 HydrophobicContact CB-CE2 3.94Å; K775-V792 PolarHBondContact O-N 3.48Å; K775-V792 VanDerWaalsContact O-N 3.16Å
776V81.1Confident68.2Low49 Ų4977.9 Ų77.930%0.29744%0.436SS..EExtended strand (participates in β ladder)trans-88.8121.1174.5-177.90000108.5L773 E789 A790 Y791L773-V776 WeakPolarHBondContact O-CB 3.32Å; L773-V776 PolarHBondContact O-N 3.33Å; L773-V776 VanDerWaalsContact O-N 3.07Å; V776-E789 HydrophobicContact CG1-CB 4.17Å; V776-A790 WeakPolarHBondContact CA-O 3.49Å; V776-Y791 HydrophobicContact CG2-CD2 3.87Å
777H83.5Confident71Confident71 Ų7172 Ų7233%0.32940%0.402SS..EExtended strand (participates in β ladder)trans-106.5123.2177.6-70.7-97.3000109.9L779 E789 A790 I882H777-L779 PolarHBondContact O-N 2.96Å; H777-E789 WeakPolarHBondContact O-CA 3.18Å; H777-A790 PolarHBondContact N-O 3.29Å; H777-A790 PolarHBondContact O-N 2.95Å; H777-I882 HydrophobicContact CB-CG1 4.34Å
778Q89Confident73.8Confident82 Ų8269.5 Ų69.538%0.38338%0.382SS..EExtended strand (participates in β ladder)trans-74.5121.1172.4-178.6172.13.400109.9T780 Y787Q778-T780 WeakPolarHBondContact CG-O 3.47Å; Q778-T780 PolarHBondContact NE2-O 3.35Å; Q778-Y787 HydrophobicContact CG-CE2 4.28Å
779L88.6Confident76.3Confident9 Ų962.5 Ų62.55%0.04736%0.356CS..  trans-94.8-36.1-177.6-67.2177.9000112.9H777 A788 A790 V803 L879 N880 I882H777-L779 PolarHBondContact O-N 2.96Å; L779-A788 HydrophobicContact CB-CB 4.11Å; L779-A788 WeakPolarHBondContact CB-O 3.32Å; L779-A788 HydrophobicContact CD1-CB 4.37Å; L779-A788 PolarHBondContact N-O 2.85Å; L779-A790 HydrophobicContact CD1-CB 3.73Å; L779-A790 HydrophobicContact CD2-CB 4.39Å; L779-A790 HydrophobicContact CG-CB 3.98Å; L779-V803 HydrophobicContact CD1-CG1 3.86Å; L779-V803 HydrophobicContact CD1-CG2 4.49Å; L779-L879 HydrophobicContact CB-CB 4.28Å; L779-L879 HydrophobicContact CB-CD2 3.87Å; L779-L879 HydrophobicContact CD1-CD1 4.17Å; L779-L879 HydrophobicContact CD1-CD2 4.41Å; L779-L879 HydrophobicContact CD2-CB 4.41Å; L779-N880 VanDerWaalsContact CD2-O 3.3Å; L779-N880 WeakPolarHBondContact CD2-O 3.28Å; L779-N880 WeakPolarHBondContact O-CB 3.46Å; L779-N880 PolarHBondContact O-N 3.02Å; L779-I882 HydrophobicContact CD2-CD1 3.89Å; L779-I882 HydrophobicContact CD2-CG1 3.82Å
780T90.5Very high78.5Confident7 Ų759.4 Ų59.44%0.04333%0.331CS..SBendtrans-125.7160.7177.465.10000111.8Q778 D784 V786 Y787 A788 I877 L879Q778-T780 WeakPolarHBondContact CG-O 3.47Å; Q778-T780 PolarHBondContact NE2-O 3.35Å; T780-D784 WeakPolarHBondContact CB-OD2 3.34Å; T780-V786 PolarHBondContact OG1-O 3.43Å; T780-Y787 VanDerWaalsContact OG1-CA 3.25Å; T780-Y787 WeakPolarHBondContact OG1-CA 3.49Å; T780-A788 HydrophobicContact CG2-CB 4.16Å; T780-A788 PolarHBondContact N-O 2.9Å; T780-A788 PolarHBondContact OG1-N 3.32Å; T780-I877 HydrophobicContact CG2-CG2 3.71Å; T780-L879 HydrophobicContact CG2-CD2 3.47Å; T780-L879 VanDerWaalsContact CG2-CD2 3.47Å
781G86.3Confident80.6Confident30 Ų3057.9 Ų57.931%0.30932%0.315SS..  trans-73.3156.2178.200000112.3S783 D784G781-S783 PolarHBondContact O-N 2.93Å; G781-S783 VanDerWaalsContact O-N 3.14Å; G781-D784 PolarHBondContact N-OD2 3.25Å; G781-D784 WeakPolarHBondContact O-CB 3.41Å; G781-D784 PolarHBondContact O-N 3.25Å; G781-D784 VanDerWaalsContact O-N 3.09Å
782F84.7Confident82Confident137 Ų13755.2 Ų55.260%0.60130%0.295SS*.THydrogen-bonded Turntrans-62.5-18.9174.2-65-72.5000113.4Y787 Q808F782-Y787 HydrophobicContact CD1-CD2 4.08Å; F782-Y787 AromaticContact CD1-CE2 3.65Å; F782-Y787 HydrophobicContact CD1-CE2 3.65Å; F782-Y787 HydrophobicContact CE1-CD2 4.4Å; F782-Y787 AromaticContact CE1-CE2 3.55Å; F782-Y787 HydrophobicContact CE1-CE2 3.55Å; F782-Y787 AromaticContact CE1-CZ 3.73Å; F782-Y787 HydrophobicContact CG-CE2 4.41Å; F782-Y787 HydrophobicContact CZ-CE2 4.24Å; F782-Q808 PolarHBondContact O-NE2 3.39Å; F782-Q808 PolarHBondContact O-OE1 3.01Å
783S84.4Confident83.3Confident121 Ų12153 Ų5385%0.84629%0.286SS*.THydrogen-bonded Turntrans-90.1-5.4178-56.10000113.6G781G781-S783 PolarHBondContact O-N 2.93Å; G781-S783 VanDerWaalsContact O-N 3.14Å
784D87.7Confident84.1Confident55 Ų5548.8 Ų48.829%0.29427%0.266SS..SBendtrans-77.5144.3-178.1-67.5-27.8000110.8T780 G781 V786 Q808 I877T780-D784 WeakPolarHBondContact CB-OD2 3.34Å; G781-D784 PolarHBondContact N-OD2 3.25Å; G781-D784 WeakPolarHBondContact O-CB 3.41Å; G781-D784 PolarHBondContact O-N 3.25Å; G781-D784 VanDerWaalsContact O-N 3.09Å; D784-V786 PolarHBondContact O-N 3.28Å; D784-V786 VanDerWaalsContact O-N 3.08Å; D784-Q808 PolarHBondContact O-NE2 3.09Å; D784-I877 HydrophobicContact CB-CD1 4.46Å
785P85.9Confident84.4Confident51 Ų5146.2 Ų46.233%0.33125%0.245SC..SBendtrans-54-31.6179.5-26.834.1000113.8Q808 T809 Y865P785-Q808 WeakPolarHBondContact O-CB 3.34Å; P785-Q808 PolarHBondContact O-N 3.37Å; P785-T809 HydrophobicContact CB-CG2 3.66Å; P785-Y865 WeakPolarHBondContact CB-OH 3.4Å
786V88.3Confident84.3Confident0 Ų048.7 Ų48.70%026%0.257CS..EExtended strand (participates in β ladder)trans-119.1115.9173.6-177.90000108.5T780 D784 V805 V806 L813 L816 I863 Y865 I877T780-V786 PolarHBondContact OG1-O 3.43Å; D784-V786 PolarHBondContact O-N 3.28Å; D784-V786 VanDerWaalsContact O-N 3.08Å; V786-V805 HydrophobicContact CG1-CG1 3.28Å; V786-V806 WeakPolarHBondContact CA-O 3.44Å; V786-L813 HydrophobicContact CG2-CD1 3.34Å; V786-L816 HydrophobicContact CG1-CD1 4.3Å; V786-L816 HydrophobicContact CG2-CD1 4.38Å; V786-I863 HydrophobicContact CG1-CD1 4.42Å; V786-I863 HydrophobicContact CG1-CG2 4.5Å; V786-Y865 HydrophobicContact CG2-CD1 3.87Å; V786-Y865 HydrophobicContact CG2-CE1 3.57Å; V786-I877 HydrophobicContact CB-CD1 3.89Å; V786-I877 HydrophobicContact CG2-CD1 4.23Å
787Y91.9Very high84Confident31 Ų3151.9 Ų51.912%0.12227%0.268CS..EExtended strand (participates in β ladder)trans-85.4133.2171.9178.2-105.4000109.8Q778 T780 F782 E789 V805 V806Q778-Y787 HydrophobicContact CG-CE2 4.28Å; T780-Y787 VanDerWaalsContact OG1-CA 3.25Å; T780-Y787 WeakPolarHBondContact OG1-CA 3.49Å; F782-Y787 HydrophobicContact CD1-CD2 4.08Å; F782-Y787 AromaticContact CD1-CE2 3.65Å; F782-Y787 HydrophobicContact CD1-CE2 3.65Å; F782-Y787 HydrophobicContact CE1-CD2 4.4Å; F782-Y787 AromaticContact CE1-CE2 3.55Å; F782-Y787 HydrophobicContact CE1-CE2 3.55Å; F782-Y787 AromaticContact CE1-CZ 3.73Å; F782-Y787 HydrophobicContact CG-CE2 4.41Å; F782-Y787 HydrophobicContact CZ-CE2 4.24Å; Y787-E789 HydrophobicContact CE1-CB 4.34Å; Y787-E789 HydrophobicContact CE1-CG 4.25Å; Y787-E789 PolarHBondContact OH-OE2 3.19Å; Y787-V805 CarbonylContact O-C 3.54Å; Y787-V805 WeakPolarHBondContact O-CA 3.43Å; Y787-V806 HydrophobicContact CD1-CB 4.4Å; Y787-V806 HydrophobicContact CD1-CG2 4.13Å; Y787-V806 PolarHBondContact N-O 3.13Å; Y787-V806 PolarHBondContact O-N 3.42Å
788A90.6Very high83.8Confident0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-136.1133.1177.900000111.7L779 T780 V803 L804 I863 L879L779-A788 HydrophobicContact CB-CB 4.11Å; L779-A788 WeakPolarHBondContact CB-O 3.32Å; L779-A788 HydrophobicContact CD1-CB 4.37Å; L779-A788 PolarHBondContact N-O 2.85Å; T780-A788 HydrophobicContact CG2-CB 4.16Å; T780-A788 PolarHBondContact N-O 2.9Å; T780-A788 PolarHBondContact OG1-N 3.32Å; A788-V803 HydrophobicContact CB-CG1 4.47Å; A788-L804 VanDerWaalsContact CA-O 3.23Å; A788-L804 WeakPolarHBondContact CA-O 3.18Å; A788-I863 HydrophobicContact CB-CD1 3.73Å; A788-L879 HydrophobicContact CB-CD2 4.44Å
789E91.4Very high83.4Confident61 Ų6147.9 Ų47.929%0.28525%0.251SS..EExtended strand (participates in β ladder)trans-128.8139.817161.9178.6-164.700109.7V776 H777 Y787 V803 L804V776-E789 HydrophobicContact CG1-CB 4.17Å; H777-E789 WeakPolarHBondContact O-CA 3.18Å; Y787-E789 HydrophobicContact CE1-CB 4.34Å; Y787-E789 HydrophobicContact CE1-CG 4.25Å; Y787-E789 PolarHBondContact OH-OE2 3.19Å; E789-V803 CarbonylContact O-C 3.28Å; E789-V803 WeakPolarHBondContact O-CA 3.4Å; E789-L804 HydrophobicContact CG-CB 3.79Å; E789-L804 HydrophobicContact CG-CD2 4.07Å; E789-L804 HydrophobicContact CG-CG 4.42Å; E789-L804 PolarHBondContact N-O 2.96Å; E789-L804 PolarHBondContact O-N 3.23Å; E789-L804 WeakPolarHBondContact OE1-CD2 3.28Å
790A88.2Confident83.2Confident0 Ų050.5 Ų50.50%027%0.265CS..EExtended strand (participates in β ladder)trans-114.6123.8-179.900000110.6V776 H777 L779 D802 V803 I882V776-A790 WeakPolarHBondContact CA-O 3.49Å; H777-A790 PolarHBondContact N-O 3.29Å; H777-A790 PolarHBondContact O-N 2.95Å; L779-A790 HydrophobicContact CD1-CB 3.73Å; L779-A790 HydrophobicContact CD2-CB 4.39Å; L779-A790 HydrophobicContact CG-CB 3.98Å; A790-D802 CarbonylContact C-O 3.54Å; A790-D802 WeakPolarHBondContact CA-O 3.45Å; A790-V803 HydrophobicContact CB-CG2 4.02Å; A790-I882 HydrophobicContact CB-CD1 3.89Å
791Y86.6Confident83Confident68 Ų6850.3 Ų50.327%0.26726%0.264SS..EExtended strand (participates in β ladder)trans-89116.3166-179.3-109.5000109.4K772 K775 V776 H793 D802K772-Y791 WeakPolarHBondContact O-CE2 3.24Å; K775-Y791 HydrophobicContact CB-CD2 4.32Å; K775-Y791 HydrophobicContact CB-CE2 3.94Å; V776-Y791 HydrophobicContact CG2-CD2 3.87Å; Y791-H793 HydrophobicContact CE1-CB 4.05Å; Y791-D802 PolarHBondContact N-O 3.28Å; Y791-D802 PolarHBondContact O-N 3.24Å
792V81.5Confident83.1Confident10 Ų1051.3 Ų51.36%0.06126%0.262CS..EExtended strand (participates in β ladder)trans-98.1112-178.1-174.40000109.2K775 V794 I799 L801 I882K775-V792 PolarHBondContact O-N 3.48Å; K775-V792 VanDerWaalsContact O-N 3.16Å; V792-V794 HydrophobicContact CG1-CG2 3.94Å; V792-I799 HydrophobicContact CG1-CG2 3.82Å; V792-L801 HydrophobicContact CG2-CD2 4.15Å; V792-L801 HydrophobicContact CG2-CG 4.4Å; V792-I882 HydrophobicContact CG2-CD1 4.09Å; V792-I882 HydrophobicContact CG2-CG2 3.95Å
793H79.3Confident83.4Confident57 Ų5744.9 Ų44.926%0.26423%0.234SC..EExtended strand (participates in β ladder)trans-109.2109.2173-168.3-69.7000109.7Y791 N795 L800Y791-H793 HydrophobicContact CE1-CB 4.05Å; H793-N795 PolarHBondContact CE1-OD1 3.22Å; H793-N795 PolarHBondContact ND1-OD1 3.39Å; H793-N795 VanDerWaalsContact ND1-OD1 3.07Å; H793-L800 HydrophobicContact CB-CB 4.27Å; H793-L800 PolarHBondContact N-O 3.37Å; H793-L800 PolarHBondContact O-N 3.22Å
794V71.6Confident83.7Confident32 Ų3241.3 Ų41.319%0.19421%0.205CC..EExtended strand (participates in β ladder)trans-97.1124177.8-165.10000111.3V792 I799 Y889V792-V794 HydrophobicContact CG1-CG2 3.94Å; V794-I799 HydrophobicContact CB-CG1 4.23Å; V794-I799 HydrophobicContact CG1-CD1 4.38Å; V794-I799 HydrophobicContact CG1-CG1 3.49Å; V794-I799 VanDerWaalsContact CG1-CG1 3.49Å; V794-I799 HydrophobicContact CG2-CG1 4.06Å; V794-I799 HydrophobicContact CG2-CG2 4.23Å; V794-Y889 WeakPolarHBondContact CB-OH 3.31Å; V794-Y889 HydrophobicContact CG1-CE1 4.32Å; V794-Y889 HydrophobicContact CG1-CE2 4.39Å; V794-Y889 WeakPolarHBondContact CG1-OH 3.27Å
795N71.4Confident83.8Confident36 Ų3638.7 Ų38.719%0.19319%0.191CC..  trans-100.2166.3165.5-61.1-28.5000109.3H793 F797 D798H793-N795 PolarHBondContact CE1-OD1 3.22Å; H793-N795 PolarHBondContact ND1-OD1 3.39Å; H793-N795 VanDerWaalsContact ND1-OD1 3.07Å; N795-F797 VanDerWaalsContact C-N 3.27Å; N795-F797 PolarHBondContact O-N 3.12Å; N795-F797 VanDerWaalsContact O-N 3.13Å; N795-D798 CarbonylContact C-O 3.55Å; N795-D798 WeakPolarHBondContact CA-O 3.34Å; N795-D798 VanDerWaalsContact CB-O 3.25Å; N795-D798 WeakPolarHBondContact CB-O 3.36Å; N795-D798 PolarHBondContact N-O 2.97Å; N795-D798 PolarHBondContact O-N 2.96Å
796Q68.8Low84.1Confident115 Ų11538 Ų3854%0.53719%0.186SC..SBendtrans-47.3-49-176.7-62.2-177.1-3.900112.3I960 F961Q796-I960 HydrophobicContact CB-CD1 4.01Å; Q796-I960 HydrophobicContact CG-CD1 3.8Å; Q796-F961 WeakPolarHBondContact O-CE1 3.48Å; Q796-F961 WeakPolarHBondContact O-CZ 3.47Å
797F72.8Confident84.2Confident117 Ų11738.1 Ų38.151%0.51319%0.186SC..SBendtrans-109.6-9.6-176.8-58.1-72.7000114.7N795 V851 F961N795-F797 VanDerWaalsContact C-N 3.27Å; N795-F797 PolarHBondContact O-N 3.12Å; N795-F797 VanDerWaalsContact O-N 3.13Å; F797-V851 PolarHBondContact O-N 3.15Å; F797-F961 HydrophobicContact CD1-CD1 4.34Å; F797-F961 HydrophobicContact CD1-CE1 4.01Å; F797-F961 AromaticContact CE1-CD1 3.88Å; F797-F961 HydrophobicContact CE1-CD1 3.88Å; F797-F961 AromaticContact CE1-CE1 3.99Å; F797-F961 HydrophobicContact CE1-CE1 3.99Å
798D79.5Confident84Confident67 Ų6740.9 Ų40.936%0.35820%0.2SC..EExtended strand (participates in β ladder)trans-138.6134.5-170.4-62.6-43.9000111N795 I849N795-D798 CarbonylContact C-O 3.55Å; N795-D798 WeakPolarHBondContact CA-O 3.34Å; N795-D798 VanDerWaalsContact CB-O 3.25Å; N795-D798 WeakPolarHBondContact CB-O 3.36Å; N795-D798 PolarHBondContact N-O 2.97Å; N795-D798 PolarHBondContact O-N 2.96Å; D798-I849 CarbonylContact C-O 3.41Å; D798-I849 WeakPolarHBondContact CA-O 3.41Å
799I81.5Confident83.8Confident1 Ų142.4 Ų42.41%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-103.9118.2171.6-59.8163.4000107.2V792 V794 L801 L826 I849 V851 I884V792-I799 HydrophobicContact CG1-CG2 3.82Å; V794-I799 HydrophobicContact CB-CG1 4.23Å; V794-I799 HydrophobicContact CG1-CD1 4.38Å; V794-I799 HydrophobicContact CG1-CG1 3.49Å; V794-I799 VanDerWaalsContact CG1-CG1 3.49Å; V794-I799 HydrophobicContact CG2-CG1 4.06Å; V794-I799 HydrophobicContact CG2-CG2 4.23Å; I799-L801 HydrophobicContact CG2-CD1 3.71Å; I799-L801 HydrophobicContact CG2-CG 4.38Å; I799-L826 HydrophobicContact CD1-CD1 4.5Å; I799-L826 HydrophobicContact CD1-CD2 4.14Å; I799-I849 HydrophobicContact CB-CB 4.24Å; I799-I849 PolarHBondContact N-O 2.69Å; I799-I849 PolarHBondContact O-N 3Å; I799-V851 HydrophobicContact CD1-CG2 3.49Å; I799-V851 VanDerWaalsContact CD1-CG2 3.49Å; I799-V851 HydrophobicContact CG1-CG2 3.6Å; I799-I884 HydrophobicContact CD1-CD1 3.42Å; I799-I884 VanDerWaalsContact CD1-CD1 3.42Å; I799-I884 HydrophobicContact CD1-CG1 4.23Å; I799-I884 HydrophobicContact CD1-CG2 4.25Å
800L85Confident83.5Confident65 Ų6547.7 Ų47.734%0.3423%0.232SC..EExtended strand (participates in β ladder)trans-96.3117.4173-55.3172.6000107.6H793 N848H793-L800 HydrophobicContact CB-CB 4.27Å; H793-L800 PolarHBondContact N-O 3.37Å; H793-L800 PolarHBondContact O-N 3.22Å; L800-N848 HydrophobicContact CD2-CB 4.35Å; L800-N848 WeakPolarHBondContact CD2-OD1 3.43Å
801L86.5Confident83.4Confident3 Ų352 Ų522%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-101121.9168.8-71.198.9000109.1V792 I799 V803 K846 A847 I849 I859 I882V792-L801 HydrophobicContact CG2-CD2 4.15Å; V792-L801 HydrophobicContact CG2-CG 4.4Å; I799-L801 HydrophobicContact CG2-CD1 3.71Å; I799-L801 HydrophobicContact CG2-CG 4.38Å; L801-V803 HydrophobicContact CB-CG2 4.37Å; L801-K846 CarbonylContact O-C 3.53Å; L801-K846 WeakPolarHBondContact O-CA 3.36Å; L801-A847 HydrophobicContact CB-CB 4.43Å; L801-A847 PolarHBondContact N-O 2.79Å; L801-A847 PolarHBondContact O-N 2.85Å; L801-I849 HydrophobicContact CD1-CD1 3.38Å; L801-I849 HydrophobicContact CD1-CG1 4Å; L801-I859 HydrophobicContact CD1-CD1 3.7Å; L801-I859 HydrophobicContact CD2-CD1 4.05Å; L801-I859 HydrophobicContact CG-CD1 4.46Å; L801-I882 HydrophobicContact CD2-CD1 3.37Å
802D88.2Confident83.3Confident51 Ų5150.5 Ų50.527%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-104.5105.1168.7-161.9-22.3000108.3A790 Y791 S844 K846A790-D802 CarbonylContact C-O 3.54Å; A790-D802 WeakPolarHBondContact CA-O 3.45Å; Y791-D802 PolarHBondContact N-O 3.28Å; Y791-D802 PolarHBondContact O-N 3.24Å; D802-S844 PolarHBondContact OD1-OG 3.3Å; D802-K846 WeakPolarHBondContact OD2-CE 3.43Å
803V89.3Confident83.5Confident1 Ų150 Ų501%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-99.3110.3-176.3-174.60000109L779 A788 E789 A790 L801 V805 L818 S844 I845L779-V803 HydrophobicContact CD1-CG1 3.86Å; L779-V803 HydrophobicContact CD1-CG2 4.49Å; A788-V803 HydrophobicContact CB-CG1 4.47Å; E789-V803 CarbonylContact O-C 3.28Å; E789-V803 WeakPolarHBondContact O-CA 3.4Å; A790-V803 HydrophobicContact CB-CG2 4.02Å; L801-V803 HydrophobicContact CB-CG2 4.37Å; V803-V805 HydrophobicContact CG1-CG2 3.97Å; V803-L818 HydrophobicContact CB-CD2 4.02Å; V803-L818 HydrophobicContact CG1-CD2 4.2Å; V803-L818 HydrophobicContact CG2-CD2 3.85Å; V803-S844 CarbonylContact O-C 3.51Å; V803-S844 WeakPolarHBondContact O-CA 3.47Å; V803-I845 HydrophobicContact CB-CB 4.47Å; V803-I845 PolarHBondContact N-O 3.08Å; V803-I845 PolarHBondContact O-N 3.2Å
804L90.9Very high83.7Confident47 Ų4750.7 Ų50.725%0.24625%0.253CS..EExtended strand (participates in β ladder)trans-81.1124.2169.3-179.170000108.9A788 E789 V806 F842A788-L804 VanDerWaalsContact CA-O 3.23Å; A788-L804 WeakPolarHBondContact CA-O 3.18Å; E789-L804 HydrophobicContact CG-CB 3.79Å; E789-L804 HydrophobicContact CG-CD2 4.07Å; E789-L804 HydrophobicContact CG-CG 4.42Å; E789-L804 PolarHBondContact N-O 2.96Å; E789-L804 PolarHBondContact O-N 3.23Å; E789-L804 WeakPolarHBondContact OE1-CD2 3.28Å; L804-V806 HydrophobicContact CD2-CG2 4.27Å; L804-V806 HydrophobicContact CG-CG2 4.15Å; L804-F842 HydrophobicContact CD1-CB 4.31Å; L804-F842 HydrophobicContact CD1-CD2 3.81Å; L804-F842 HydrophobicContact CD1-CG 4.43Å
805V90.7Very high84.3Confident0 Ų053.4 Ų53.40%027%0.266CS..EExtended strand (participates in β ladder)trans-117.4127.1177.9-176.50000108.8V786 Y787 V803 L816 I837 F842 A843 I845 I863V786-V805 HydrophobicContact CG1-CG1 3.28Å; Y787-V805 CarbonylContact O-C 3.54Å; Y787-V805 WeakPolarHBondContact O-CA 3.43Å; V803-V805 HydrophobicContact CG1-CG2 3.97Å; V805-L816 HydrophobicContact CG1-CD1 3.94Å; V805-L816 HydrophobicContact CG1-CD2 4.05Å; V805-I837 HydrophobicContact CB-CD1 4.32Å; V805-I837 HydrophobicContact CG1-CD1 4Å; V805-F842 CarbonylContact O-C 3.6Å; V805-F842 VanDerWaalsContact O-CA 3.22Å; V805-F842 WeakPolarHBondContact O-CA 3.42Å; V805-F842 WeakPolarHBondContact O-CB 3.5Å; V805-A843 PolarHBondContact N-O 3.02Å; V805-A843 PolarHBondContact O-N 3.42Å; V805-I845 HydrophobicContact CG2-CD1 3.98Å; V805-I863 HydrophobicContact CG2-CD1 4.28Å
806V91.1Very high85Confident37 Ų3751.7 Ų51.722%0.22426%0.257CS..EExtended strand (participates in β ladder)trans-123124.4-177.4-173.40000109.3V786 Y787 L804 Q808 F842V786-V806 WeakPolarHBondContact CA-O 3.44Å; Y787-V806 HydrophobicContact CD1-CB 4.4Å; Y787-V806 HydrophobicContact CD1-CG2 4.13Å; Y787-V806 PolarHBondContact N-O 3.13Å; Y787-V806 PolarHBondContact O-N 3.42Å; L804-V806 HydrophobicContact CD2-CG2 4.27Å; L804-V806 HydrophobicContact CG-CG2 4.15Å; V806-Q808 PolarHBondContact O-N 3.04Å; V806-F842 HydrophobicContact CB-CB 4.36Å; V806-F842 HydrophobicContact CG1-CB 4.39Å; V806-F842 HydrophobicContact CG2-CB 3.9Å
807N91.9Very high85.9Confident1 Ų148 Ų481%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-81.1108.2174177.713.6000109.9T809 D811 L813 I837 A838 Q840 D841N807-T809 VanDerWaalsContact C-N 3.3Å; N807-T809 WeakPolarHBondContact OD1-CB 3.32Å; N807-T809 PolarHBondContact OD1-N 2.83Å; N807-T809 PolarHBondContact OD1-OG1 3.18Å; N807-D811 PolarHBondContact ND2-O 3.18Å; N807-L813 HydrophobicContact CB-CD1 4.06Å; N807-L813 HydrophobicContact CB-CG 4.49Å; N807-L813 WeakPolarHBondContact OD1-CD1 3.37Å; N807-I837 HydrophobicContact CB-CB 4.39Å; N807-I837 HydrophobicContact CB-CG2 3.75Å; N807-A838 PolarHBondContact ND2-O 3.25Å; N807-Q840 WeakPolarHBondContact O-CA 3.49Å; N807-Q840 PolarHBondContact O-N 3.14Å; N807-D841 PolarHBondContact N-O 3.03Å
808Q86.6Confident86.6Confident89 Ų8942.5 Ų42.542%0.41622%0.218SC..  trans-83.7-6.6177.7-58.8-160.373.400113.1F782 D784 P785 V806F782-Q808 PolarHBondContact O-NE2 3.39Å; F782-Q808 PolarHBondContact O-OE1 3.01Å; D784-Q808 PolarHBondContact O-NE2 3.09Å; P785-Q808 WeakPolarHBondContact O-CB 3.34Å; P785-Q808 PolarHBondContact O-N 3.37Å; V806-Q808 PolarHBondContact O-N 3.04Å
809T86Confident87Confident32 Ų3244.1 Ų44.120%0.19622%0.224CC..SBendtrans-86165.3-177.377.40000112.9P785 N807 D811 Q840P785-T809 HydrophobicContact CB-CG2 3.66Å; N807-T809 VanDerWaalsContact C-N 3.3Å; N807-T809 WeakPolarHBondContact OD1-CB 3.32Å; N807-T809 PolarHBondContact OD1-N 2.83Å; N807-T809 PolarHBondContact OD1-OG1 3.18Å; T809-D811 VanDerWaalsContact C-N 3.3Å; T809-D811 PolarHBondContact OG1-N 3.43Å; T809-D811 PolarHBondContact OG1-O 3.37Å; T809-Q840 PolarHBondContact O-N 2.97Å
810K85.1Confident87.3Confident173 Ų17344.9 Ų44.975%0.75223%0.228SC*.SBendtrans-87.1-1.4173.5-67.3-176.3-179.1177.20113.1P839K810-P839 WeakPolarHBondContact O-CB 3.23Å; K810-P839 VanDerWaalsContact O-CG 3.25Å; K810-P839 WeakPolarHBondContact O-CG 3.33Å
811D86.1Confident87.4Confident89 Ų8944.6 Ų44.648%0.47623%0.231SC..SBendtrans-104.5154.9-177.9-61.4-54.8000110.6N807 T809 V867N807-D811 PolarHBondContact ND2-O 3.18Å; T809-D811 VanDerWaalsContact C-N 3.3Å; T809-D811 PolarHBondContact OG1-N 3.43Å; T809-D811 PolarHBondContact OG1-O 3.37Å; D811-V867 HydrophobicContact CB-CG1 3.8Å
812T84.6Confident87.4Confident37 Ų3746.2 Ų46.223%0.22724%0.241CC..  trans-79.7123.8174.7-52.90000109T836 R868T812-T836 HydrophobicContact CG2-CG2 3.86Å; T812-R868 PolarHBondContact O-N 3.47Å
813L85.4Confident87.1Confident0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-89.4120.6176.3-53.2-175.3000109V786 N807 L816 T836 I837 Y865 V867V786-L813 HydrophobicContact CG2-CD1 3.34Å; N807-L813 HydrophobicContact CB-CD1 4.06Å; N807-L813 HydrophobicContact CB-CG 4.49Å; N807-L813 WeakPolarHBondContact OD1-CD1 3.37Å; L813-L816 HydrophobicContact CB-CD1 4.49Å; L813-L816 HydrophobicContact CD1-CD1 4.15Å; L813-T836 CarbonylContact O-C 3.53Å; L813-T836 WeakPolarHBondContact O-CA 3.46Å; L813-I837 PolarHBondContact N-O 2.95Å; L813-I837 PolarHBondContact O-N 2.87Å; L813-Y865 HydrophobicContact CB-CD2 4.31Å; L813-Y865 HydrophobicContact CD1-CD2 4.12Å; L813-Y865 HydrophobicContact CD1-CE2 4.31Å; L813-Y865 HydrophobicContact CD1-CG 4.28Å; L813-Y865 HydrophobicContact CD2-CD2 3.61Å; L813-Y865 HydrophobicContact CD2-CE2 3.67Å; L813-Y865 HydrophobicContact CG-CD2 4.21Å; L813-V867 HydrophobicContact CD2-CG2 4.17Å
814Q84.2Confident86.4Confident71 Ų7150.2 Ų50.233%0.33227%0.271SS..EExtended strand (participates in β ladder)trans-104.5157.7177.6-61.5-172-20.900109.8L816 T836 D866Q814-L816 PolarHBondContact O-N 2.98Å; Q814-L816 VanDerWaalsContact O-N 3.07Å; Q814-T836 HydrophobicContact CG-CG2 4.11Å; Q814-D866 PolarHBondContact N-O 3.11Å; Q814-D866 PolarHBondContact O-N 2.91Å
815N83.6Confident85.6Confident89 Ų8952.1 Ų52.148%0.47628%0.281SS..EExtended strand (participates in β ladder)trans51.930.8179.2-60.8-25.9000114.4T817 D866N815-T817 PolarHBondContact O-N 2.9Å; N815-T817 PolarHBondContact O-OG1 3.43Å; N815-D866 PolarHBondContact ND2-OD2 3.2Å
816L87.2Confident85Confident0 Ų052.7 Ų52.70%028%0.284CS..EExtended strand (participates in β ladder)trans-65.4108.9178.6-171.2151.3000108.8V786 V805 L813 Q814 P834 L835 I837 I845 I863 S864V786-L816 HydrophobicContact CG1-CD1 4.3Å; V786-L816 HydrophobicContact CG2-CD1 4.38Å; V805-L816 HydrophobicContact CG1-CD1 3.94Å; V805-L816 HydrophobicContact CG1-CD2 4.05Å; L813-L816 HydrophobicContact CB-CD1 4.49Å; L813-L816 HydrophobicContact CD1-CD1 4.15Å; Q814-L816 PolarHBondContact O-N 2.98Å; Q814-L816 VanDerWaalsContact O-N 3.07Å; L816-P834 CarbonylContact O-C 3.58Å; L816-P834 WeakPolarHBondContact O-CA 3.44Å; L816-L835 WeakPolarHBondContact CB-O 3.32Å; L816-L835 PolarHBondContact N-O 3.39Å; L816-L835 PolarHBondContact O-N 3.48Å; L816-I837 HydrophobicContact CD1-CD1 3.88Å; L816-I837 HydrophobicContact CD1-CG1 4.41Å; L816-I845 HydrophobicContact CD2-CD1 4.37Å; L816-I863 HydrophobicContact CD1-CG2 4.28Å; L816-I863 HydrophobicContact CD2-CG2 3.98Å; L816-I863 HydrophobicContact CG-CG2 3.87Å; L816-S864 CarbonylContact C-O 3.46Å; L816-S864 WeakPolarHBondContact CA-O 3.25Å
817T87.4Confident84.6Confident37 Ų3759.4 Ų59.423%0.22731%0.306CS..EExtended strand (participates in β ladder)trans-120.4124.5-174.1-51.60000108.9N815 E819 I863 S864N815-T817 PolarHBondContact O-N 2.9Å; N815-T817 PolarHBondContact O-OG1 3.43Å; T817-E819 HydrophobicContact CG2-CG 4.21Å; T817-I863 WeakPolarHBondContact O-CA 3.49Å; T817-S864 PolarHBondContact N-O 3.44Å; T817-S864 PolarHBondContact O-N 3.11Å
818L88.3Confident84Confident2 Ų261.5 Ų61.51%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-89.6108.8172.2175.265.5000108.8V803 L820 P832 I845 I863 L879V803-L818 HydrophobicContact CB-CD2 4.02Å; V803-L818 HydrophobicContact CG1-CD2 4.2Å; V803-L818 HydrophobicContact CG2-CD2 3.85Å; L818-L820 HydrophobicContact CD1-CD2 3.95Å; L818-L820 HydrophobicContact CD1-CG 4.34Å; L818-L820 HydrophobicContact CD2-CD1 4.2Å; L818-L820 HydrophobicContact CD2-CD2 4.41Å; L818-L820 HydrophobicContact CD2-CG 4.21Å; L818-L820 HydrophobicContact CG-CD2 4.17Å; L818-L820 HydrophobicContact CG-CG 4.01Å; L818-P832 HydrophobicContact CB-CB 4.35Å; L818-P832 HydrophobicContact CB-CG 4.21Å; L818-P832 HydrophobicContact CD2-CG 4.28Å; L818-P832 HydrophobicContact CG-CG 4.38Å; L818-P832 WeakPolarHBondContact O-CG 2.77Å; L818-I845 HydrophobicContact CB-CD1 3.97Å; L818-I845 HydrophobicContact CD2-CB 4.34Å; L818-I845 HydrophobicContact CD2-CD1 4.37Å; L818-I845 HydrophobicContact CD2-CG2 3.96Å; L818-I863 HydrophobicContact CD1-CD1 4.36Å; L818-I863 HydrophobicContact CD1-CG1 3.74Å; L818-L879 HydrophobicContact CD1-CD1 3.49Å; L818-L879 VanDerWaalsContact CD1-CD1 3.49Å
819E87.3Confident83.5Confident102 Ų10262.1 Ų62.148%0.47733%0.326SS..EExtended strand (participates in β ladder)trans-98.9104.3175.8-62.6-165.9155.600109.8T817 G861 N862T817-E819 HydrophobicContact CG2-CG 4.21Å; E819-G861 CarbonylContact O-C 3.37Å; E819-G861 WeakPolarHBondContact O-CA 3.12Å; E819-N862 PolarHBondContact N-O 3.06Å; E819-N862 PolarHBondContact O-N 2.62Å; E819-N862 PolarHBondContact OE2-ND2 3.47Å
820L87.9Confident83Confident17 Ų1766.9 Ų66.99%0.08935%0.346CS..EExtended strand (participates in β ladder)trans-96138.8173.1-61.6176.2000110.4L818 L828 A847 I859 L879L818-L820 HydrophobicContact CD1-CD2 3.95Å; L818-L820 HydrophobicContact CD1-CG 4.34Å; L818-L820 HydrophobicContact CD2-CD1 4.2Å; L818-L820 HydrophobicContact CD2-CD2 4.41Å; L818-L820 HydrophobicContact CD2-CG 4.21Å; L818-L820 HydrophobicContact CG-CD2 4.17Å; L818-L820 HydrophobicContact CG-CG 4.01Å; L820-L828 HydrophobicContact CB-CD2 4.24Å; L820-L828 WeakPolarHBondContact O-CD2 3.4Å; L820-A847 HydrophobicContact CD1-CB 3.64Å; L820-I859 HydrophobicContact CD2-CG2 4.21Å; L820-L879 HydrophobicContact CD2-CD1 4.48Å
821S87.2Confident82.5Confident59 Ų5967.2 Ų67.241%0.41335%0.347SS..EExtended strand (participates in β ladder)trans-127.1148.5170.1-67.10000108.9F860S821-F860 CarbonylContact C-O 3.46Å; S821-F860 VanDerWaalsContact CB-CZ 3.49Å; S821-F860 PolarHBondContact N-O 2.64Å; S821-F860 PolarHBondContact O-N 2.88Å
822T85.6Confident82Confident36 Ų3663.9 Ų63.922%0.22133%0.331CS..EExtended strand (participates in β ladder)trans-121.3132.3-178.155.50000109.9L826 I849 I858 I859T822-L826 HydrophobicContact CG2-CB 4.12Å; T822-L826 PolarHBondContact OG1-O 3.16Å; T822-I849 HydrophobicContact CG2-CD1 3.97Å; T822-I849 HydrophobicContact CG2-CG2 4.32Å; T822-I858 CarbonylContact C-O 2.93Å; T822-I858 WeakPolarHBondContact CA-O 3.46Å; T822-I859 HydrophobicContact CG2-CG1 4.12Å; T822-I859 HydrophobicContact CG2-CG2 4.48Å
823L82.8Confident81.8Confident100 Ų10066 Ų6652%0.52435%0.347SS..EExtended strand (participates in β ladder)trans-100.6133.9169.3-166134.7000108.8G857 I858 F860L823-G857 WeakPolarHBondContact O-CA 3.06Å; L823-I858 HydrophobicContact CB-CB 4.14Å; L823-I858 HydrophobicContact CD2-CD1 4.32Å; L823-I858 PolarHBondContact N-O 3.36Å; L823-I858 PolarHBondContact O-N 2.81Å; L823-F860 HydrophobicContact CB-CD1 4.42Å; L823-F860 HydrophobicContact CB-CE1 3.91Å
824G73.8Confident81.8Confident36 Ų3669.9 Ų69.937%0.37137%0.372SS..SBendtrans95.2-172.6-171.100000112.5L826G824-L826 PolarHBondContact O-N 2.63Å
825D74Confident81.8Confident88 Ų8869 Ų6947%0.47137%0.37SS..SBendtrans-80.545.2-176.6-86-16000113.7S852 S853D825-S852 WeakPolarHBondContact O-CB 3.45Å; D825-S852 PolarHBondContact O-N 2.9Å; D825-S853 WeakPolarHBondContact OD2-CB 3.32Å
826L78.4Confident82Confident12 Ų1269.1 Ų69.16%0.06337%0.374CS..EExtended strand (participates in β ladder)trans-103.1135.2171.7-64.8-178.7000109.3I799 T822 G824 I849 V851 I859 I884I799-L826 HydrophobicContact CD1-CD1 4.5Å; I799-L826 HydrophobicContact CD1-CD2 4.14Å; T822-L826 HydrophobicContact CG2-CB 4.12Å; T822-L826 PolarHBondContact OG1-O 3.16Å; G824-L826 PolarHBondContact O-N 2.63Å; L826-I849 HydrophobicContact CB-CG2 3.87Å; L826-I849 HydrophobicContact CD1-CG2 4.42Å; L826-I849 HydrophobicContact CD2-CG2 4.41Å; L826-I849 HydrophobicContact CG-CG2 4.47Å; L826-V851 HydrophobicContact CD2-CB 4.24Å; L826-V851 HydrophobicContact CD2-CG1 4.19Å; L826-V851 HydrophobicContact CD2-CG2 3.96Å; L826-I859 HydrophobicContact CD1-CG1 4.24Å; L826-I884 HydrophobicContact CD1-CD1 3.63Å
827R82.4Confident82.1Confident178 Ų17869.4 Ų69.467%0.67238%0.375SS*.EExtended strand (participates in β ladder)trans-114.2115178.6-66.3-173.9-178.5-168.32.4110.4V829 K850R827-V829 PolarHBondContact O-N 3.41Å; R827-K850 PolarHBondContact N-O 2.77Å; R827-K850 PolarHBondContact O-N 2.75Å
828L79.9Confident82.1Confident45 Ų4569.6 Ų69.624%0.23638%0.381CS..EExtended strand (participates in β ladder)trans-70.4117.7168.9-176.666.6000109.3L820 K831 I849L820-L828 HydrophobicContact CB-CD2 4.24Å; L820-L828 WeakPolarHBondContact O-CD2 3.4Å; L828-K831 HydrophobicContact CD2-CG 4.36Å; L828-I849 HydrophobicContact CD1-CD1 4.39Å; L828-I849 HydrophobicContact CD1-CG1 3.72Å
829V76.1Confident82Confident102 Ų10272.1 Ų72.162%0.61840%0.397SS*.  trans-83.3-38.8-174.4-179.30000111.5R827 N848 K850R827-V829 PolarHBondContact O-N 3.41Å; V829-N848 PolarHBondContact N-O 2.84Å; V829-K850 HydrophobicContact CG2-CB 3.92Å
830E74.6Confident81.9Confident132 Ų13274.3 Ų74.362%0.61741%0.407SS*.  trans-135.4129.8-174.2-170.7170.1-172.200110.5
831K75Confident82Confident179 Ų17977 Ų7778%0.77842%0.422SS*.PPolyproline II helixtrans-83.2131.2174.2-72.1-169.9176.2-170.10109.4L828L828-K831 HydrophobicContact CD2-CG 4.36Å
832P75.9Confident82.1Confident19 Ų1980.6 Ų80.612%0.12343%0.43CS..PPolyproline II helixtrans-57.4138.5176.9-23.332.7000112.6L818 I845L818-P832 HydrophobicContact CB-CB 4.35Å; L818-P832 HydrophobicContact CB-CG 4.21Å; L818-P832 HydrophobicContact CD2-CG 4.28Å; L818-P832 HydrophobicContact CG-CG 4.38Å; L818-P832 WeakPolarHBondContact O-CG 2.77Å; P832-I845 HydrophobicContact CB-CG2 3.61Å; P832-I845 HydrophobicContact CG-CG2 3.92Å
833S81.3Confident82.3Confident83 Ų8380 Ų8058%0.5843%0.429SS*.PPolyproline II helixtrans-73.3146.6172.758.50000111.5
834P84.1Confident82.5Confident80 Ų8078.3 Ų78.352%0.51943%0.425SS..PPolyproline II helixtrans-63.1139176.626.1-34.2000111.6L816L816-P834 CarbonylContact O-C 3.58Å; L816-P834 WeakPolarHBondContact O-CA 3.44Å
835L86.1Confident83.2Confident53 Ų5377.1 Ų77.128%0.27741%0.41SS..EExtended strand (participates in β ladder)trans-114.1156.7179.4-65.3176.3000111.3L816 A843 I845L816-L835 WeakPolarHBondContact CB-O 3.32Å; L816-L835 PolarHBondContact N-O 3.39Å; L816-L835 PolarHBondContact O-N 3.48Å; L835-A843 HydrophobicContact CD1-CB 3.93Å; L835-I845 HydrophobicContact CD1-CD1 3.84Å; L835-I845 HydrophobicContact CD1-CG1 3.58Å
836T87.1Confident83.8Confident92 Ų9280.2 Ų80.256%0.56442%0.42SS*.EExtended strand (participates in β ladder)trans-117119.5167.9-630000108.1T812 L813 Q814T812-T836 HydrophobicContact CG2-CG2 3.86Å; L813-T836 CarbonylContact O-C 3.53Å; L813-T836 WeakPolarHBondContact O-CA 3.46Å; Q814-T836 HydrophobicContact CG-CG2 4.11Å
837I88.7Confident84Confident5 Ų579.7 Ų79.73%0.02642%0.417CS..EExtended strand (participates in β ladder)trans-112.4128.6-175.7-53.2-173.1000108.9V805 N807 L813 L816 D841 A843V805-I837 HydrophobicContact CB-CD1 4.32Å; V805-I837 HydrophobicContact CG1-CD1 4Å; N807-I837 HydrophobicContact CB-CB 4.39Å; N807-I837 HydrophobicContact CB-CG2 3.75Å; L813-I837 PolarHBondContact N-O 2.95Å; L813-I837 PolarHBondContact O-N 2.87Å; L816-I837 HydrophobicContact CD1-CD1 3.88Å; L816-I837 HydrophobicContact CD1-CG1 4.41Å; I837-D841 HydrophobicContact CG2-CB 3.88Å; I837-D841 VanDerWaalsContact CG2-O 3.29Å; I837-D841 WeakPolarHBondContact CG2-O 3.31Å; I837-A843 HydrophobicContact CD1-CB 3.86Å; I837-A843 HydrophobicContact CG1-CB 4.3Å
838A88.3Confident84.2Confident42 Ų4274.3 Ų74.335%0.34740%0.402SS..  trans-69.1164.417700000111.5N807 Q840 D841N807-A838 PolarHBondContact ND2-O 3.25Å; A838-Q840 PolarHBondContact O-N 3.42Å; A838-D841 HydrophobicContact CB-CB 3.89Å; A838-D841 WeakPolarHBondContact O-CB 3.43Å; A838-D841 PolarHBondContact O-N 3.15Å
839P86.1Confident84.4Confident54 Ų5472.2 Ų72.235%0.35139%0.391SS..THydrogen-bonded Turntrans-55.3131174.1-24.835.1000111.5K810 D841K810-P839 WeakPolarHBondContact O-CB 3.23Å; K810-P839 VanDerWaalsContact O-CG 3.25Å; K810-P839 WeakPolarHBondContact O-CG 3.33Å; P839-D841 PolarHBondContact O-N 2.95Å; P839-D841 VanDerWaalsContact O-N 3.16Å
840Q84.3Confident84.8Confident149 Ų14972.4 Ų72.470%0.69638%0.383SS*.THydrogen-bonded Turntrans59.618.4-179.7-56.4-174-23.400115.4N807 T809 A838N807-Q840 WeakPolarHBondContact O-CA 3.49Å; N807-Q840 PolarHBondContact O-N 3.14Å; T809-Q840 PolarHBondContact O-N 2.97Å; A838-Q840 PolarHBondContact O-N 3.42Å
841D90.6Very high84.9Confident74 Ų7467.1 Ų67.140%0.39636%0.36SS..  trans-99.8166.1177.6-158.67.6000111.1N807 I837 A838 P839N807-D841 PolarHBondContact N-O 3.03Å; I837-D841 HydrophobicContact CG2-CB 3.88Å; I837-D841 VanDerWaalsContact CG2-O 3.29Å; I837-D841 WeakPolarHBondContact CG2-O 3.31Å; A838-D841 HydrophobicContact CB-CB 3.89Å; A838-D841 WeakPolarHBondContact O-CB 3.43Å; A838-D841 PolarHBondContact O-N 3.15Å; P839-D841 PolarHBondContact O-N 2.95Å; P839-D841 VanDerWaalsContact O-N 3.16Å
842F89.5Confident84.7Confident134 Ų13461.8 Ų61.859%0.58835%0.345SS*.EExtended strand (participates in β ladder)trans-132.9154.8-17965.5-89.2000112.1L804 V805 V806L804-F842 HydrophobicContact CD1-CB 4.31Å; L804-F842 HydrophobicContact CD1-CD2 3.81Å; L804-F842 HydrophobicContact CD1-CG 4.43Å; V805-F842 CarbonylContact O-C 3.6Å; V805-F842 VanDerWaalsContact O-CA 3.22Å; V805-F842 WeakPolarHBondContact O-CA 3.42Å; V805-F842 WeakPolarHBondContact O-CB 3.5Å; V806-F842 HydrophobicContact CB-CB 4.36Å; V806-F842 HydrophobicContact CG1-CB 4.39Å; V806-F842 HydrophobicContact CG2-CB 3.9Å
843A88.9Confident84.3Confident24 Ų2462 Ų6220%0.19835%0.348CS..EExtended strand (participates in β ladder)trans-142.5147.917400000110.2V805 L835 I837V805-A843 PolarHBondContact N-O 3.02Å; V805-A843 PolarHBondContact O-N 3.42Å; L835-A843 HydrophobicContact CD1-CB 3.93Å; I837-A843 HydrophobicContact CD1-CB 3.86Å; I837-A843 HydrophobicContact CG1-CB 4.3Å
844S88.5Confident83.7Confident63 Ų6358.3 Ų58.344%0.44132%0.321SS..EExtended strand (participates in β ladder)trans-104.3134172.9144.20000109.6D802 V803D802-S844 PolarHBondContact OD1-OG 3.3Å; V803-S844 CarbonylContact O-C 3.51Å; V803-S844 WeakPolarHBondContact O-CA 3.47Å
845I87.2Confident83.1Confident11 Ų1157.5 Ų57.56%0.05631%0.31CS..EExtended strand (participates in β ladder)trans-117.4123.4179.9-58.6176.8000107.9V803 V805 L816 L818 P832 L835V803-I845 HydrophobicContact CB-CB 4.47Å; V803-I845 PolarHBondContact N-O 3.08Å; V803-I845 PolarHBondContact O-N 3.2Å; V805-I845 HydrophobicContact CG2-CD1 3.98Å; L816-I845 HydrophobicContact CD2-CD1 4.37Å; L818-I845 HydrophobicContact CB-CD1 3.97Å; L818-I845 HydrophobicContact CD2-CB 4.34Å; L818-I845 HydrophobicContact CD2-CD1 4.37Å; L818-I845 HydrophobicContact CD2-CG2 3.96Å; P832-I845 HydrophobicContact CB-CG2 3.61Å; P832-I845 HydrophobicContact CG-CG2 3.92Å; L835-I845 HydrophobicContact CD1-CD1 3.84Å; L835-I845 HydrophobicContact CD1-CG1 3.58Å
846K86.7Confident82.5Confident153 Ų15357.6 Ų57.667%0.66531%0.312SS*.EExtended strand (participates in β ladder)trans-99.4128.2176.6-63.2-176179.9-175.90110.4L801 D802L801-K846 CarbonylContact O-C 3.53Å; L801-K846 WeakPolarHBondContact O-CA 3.36Å; D802-K846 WeakPolarHBondContact OD2-CE 3.43Å
847A83.7Confident82.1Confident2 Ų253.3 Ų53.32%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-124129.5175.300000110.2L801 L820L801-A847 HydrophobicContact CB-CB 4.43Å; L801-A847 PolarHBondContact N-O 2.79Å; L801-A847 PolarHBondContact O-N 2.85Å; L820-A847 HydrophobicContact CD1-CB 3.64Å
848N85.9Confident81.9Confident64 Ų6455.3 Ų55.334%0.34230%0.296SS..EExtended strand (participates in β ladder)trans-105.4121.8-179.9-59.2-26.2000109.6L800 V829L800-N848 HydrophobicContact CD2-CB 4.35Å; L800-N848 WeakPolarHBondContact CD2-OD1 3.43Å; V829-N848 PolarHBondContact N-O 2.84Å
849I84.9Confident81.9Confident1 Ų153.4 Ų53.41%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-118.1124.7179.9-61.3178.1000108.4D798 I799 L801 T822 L826 L828 I859D798-I849 CarbonylContact C-O 3.41Å; D798-I849 WeakPolarHBondContact CA-O 3.41Å; I799-I849 HydrophobicContact CB-CB 4.24Å; I799-I849 PolarHBondContact N-O 2.69Å; I799-I849 PolarHBondContact O-N 3Å; L801-I849 HydrophobicContact CD1-CD1 3.38Å; L801-I849 HydrophobicContact CD1-CG1 4Å; T822-I849 HydrophobicContact CG2-CD1 3.97Å; T822-I849 HydrophobicContact CG2-CG2 4.32Å; L826-I849 HydrophobicContact CB-CG2 3.87Å; L826-I849 HydrophobicContact CD1-CG2 4.42Å; L826-I849 HydrophobicContact CD2-CG2 4.41Å; L826-I849 HydrophobicContact CG-CG2 4.47Å; L828-I849 HydrophobicContact CD1-CD1 4.39Å; L828-I849 HydrophobicContact CD1-CG1 3.72Å; I849-I859 HydrophobicContact CD1-CD1 3.43Å; I849-I859 VanDerWaalsContact CD1-CD1 3.43Å; I849-I859 HydrophobicContact CD1-CG1 3.87Å; I849-I859 HydrophobicContact CD1-CG2 4.18Å
850K84Confident82.1Confident107 Ų10754.5 Ų54.547%0.46528%0.279SS..EExtended strand (participates in β ladder)trans-89127.9178.3-171.5169.5-174.81730110.7R827 V829 S852R827-K850 PolarHBondContact N-O 2.77Å; R827-K850 PolarHBondContact O-N 2.75Å; V829-K850 HydrophobicContact CG2-CB 3.92Å; K850-S852 PolarHBondContact O-N 3.2Å
851V75.7Confident82.3Confident20 Ų2047.9 Ų47.912%0.12125%0.25CS..EExtended strand (participates in β ladder)trans-82.2114.1175.1-174.10000108.2F797 I799 L826 S853 F961F797-V851 PolarHBondContact O-N 3.15Å; I799-V851 HydrophobicContact CD1-CG2 3.49Å; I799-V851 VanDerWaalsContact CD1-CG2 3.49Å; I799-V851 HydrophobicContact CG1-CG2 3.6Å; L826-V851 HydrophobicContact CD2-CB 4.24Å; L826-V851 HydrophobicContact CD2-CG1 4.19Å; L826-V851 HydrophobicContact CD2-CG2 3.96Å; V851-S853 VanDerWaalsContact CG1-O 3.24Å; V851-S853 WeakPolarHBondContact CG1-O 3.28Å; V851-F961 HydrophobicContact CG1-CZ 4.42Å
852S70.8Confident82.3Confident67 Ų6746 Ų4647%0.46924%0.241SC..  trans-100.6-19.2179.2-53.40000112.9D825 K850D825-S852 WeakPolarHBondContact O-CB 3.45Å; D825-S852 PolarHBondContact O-N 2.9Å; K850-S852 PolarHBondContact O-N 3.2Å
853S68.9Low82.3Confident25 Ų2539.6 Ų39.618%0.17521%0.213CC..SBendtrans-145.5165.7-176.5-165.70000111.6D825 V851 E855D825-S853 WeakPolarHBondContact OD2-CB 3.32Å; V851-S853 VanDerWaalsContact CG1-O 3.24Å; V851-S853 WeakPolarHBondContact CG1-O 3.28Å; S853-E855 VanDerWaalsContact C-N 3.3Å; S853-E855 PolarHBondContact O-N 3.44Å; S853-E855 WeakPolarHBondContact OG-CG 3.41Å
854T68.1Low82.3Confident5 Ų539.9 Ų39.93%0.03121%0.213CC..SBendtrans-93.936.4178.656.80000112.6I886 F961 E963 M993T854-I886 VanDerWaalsContact O-CD1 3.25Å; T854-I886 WeakPolarHBondContact O-CD1 3.28Å; T854-F961 HydrophobicContact CG2-CD2 3.46Å; T854-F961 VanDerWaalsContact CG2-CD2 3.46Å; T854-F961 HydrophobicContact CG2-CE2 3.92Å; T854-F961 HydrophobicContact CG2-CG 4.18Å; T854-E963 WeakPolarHBondContact CG2-OE2 3.34Å; T854-E963 PolarHBondContact OG1-OE2 2.86Å; T854-M993 WeakPolarHBondContact OG1-CG 3.47Å
855E71.7Confident82.3Confident62 Ų6237.3 Ų37.329%0.2919%0.193SC..SBendtrans-101.9143.9176.2-39.7-161.4143.700111S853 G857 I886 G992S853-E855 VanDerWaalsContact C-N 3.3Å; S853-E855 PolarHBondContact O-N 3.44Å; S853-E855 WeakPolarHBondContact OG-CG 3.41Å; E855-G857 PolarHBondContact O-N 3.17Å; E855-I886 VanDerWaalsContact N-CD1 3.29Å; E855-I886 WeakPolarHBondContact O-CD1 3.17Å; E855-G992 WeakPolarHBondContact OE1-CA 3.42Å; E855-G992 PolarHBondContact OE1-N 3.28Å
856N73.8Confident82.3Confident56 Ų5638.6 Ų38.630%0.29920%0.2SC..PPolyproline II helixtrans-54117.5175-76.8-17.2000110.2T996N856-T996 WeakPolarHBondContact ND2-CG2 3.31Å; N856-T996 WeakPolarHBondContact OD1-CG2 3.34Å
857G77.5Confident81.9Confident2 Ų233 Ų332%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-98.9139.6179.400000110.9L823 E855 I884L823-G857 WeakPolarHBondContact O-CA 3.06Å; E855-G857 PolarHBondContact O-N 3.17Å; G857-I884 PolarHBondContact O-N 2.71Å
858I85.3Confident81.2Confident46 Ų4641 Ų4124%0.23621%0.209CC..EExtended strand (participates in β ladder)trans-111.9124.4171.3-50.2178.4000107.6T822 L823 D881T822-I858 CarbonylContact C-O 2.93Å; T822-I858 WeakPolarHBondContact CA-O 3.46Å; L823-I858 HydrophobicContact CB-CB 4.14Å; L823-I858 HydrophobicContact CD2-CD1 4.32Å; L823-I858 PolarHBondContact N-O 3.36Å; L823-I858 PolarHBondContact O-N 2.81Å; I858-D881 HydrophobicContact CG2-CB 3.81Å
859I87.6Confident80.3Confident2 Ų241.7 Ų41.71%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-101.6121.9170.8-54.8163.8000106.9L801 L820 T822 L826 I849 I882 I884L801-I859 HydrophobicContact CD1-CD1 3.7Å; L801-I859 HydrophobicContact CD2-CD1 4.05Å; L801-I859 HydrophobicContact CG-CD1 4.46Å; L820-I859 HydrophobicContact CD2-CG2 4.21Å; T822-I859 HydrophobicContact CG2-CG1 4.12Å; T822-I859 HydrophobicContact CG2-CG2 4.48Å; L826-I859 HydrophobicContact CD1-CG1 4.24Å; I849-I859 HydrophobicContact CD1-CD1 3.43Å; I849-I859 VanDerWaalsContact CD1-CD1 3.43Å; I849-I859 HydrophobicContact CD1-CG1 3.87Å; I849-I859 HydrophobicContact CD1-CG2 4.18Å; I859-I882 HydrophobicContact CB-CB 4.29Å; I859-I882 PolarHBondContact N-O 3.39Å; I859-I882 PolarHBondContact O-N 2.91Å; I859-I884 HydrophobicContact CD1-CD1 3.4Å; I859-I884 VanDerWaalsContact CD1-CD1 3.4Å; I859-I884 HydrophobicContact CD1-CG1 4.33Å; I859-I884 HydrophobicContact CG1-CD1 3.79Å
860F89.7Confident79.1Confident78 Ų7844.8 Ų44.834%0.34225%0.252SS..EExtended strand (participates in β ladder)trans-130.4158177.862.2-82.3000108.7S821 L823 D881S821-F860 CarbonylContact C-O 3.46Å; S821-F860 VanDerWaalsContact CB-CZ 3.49Å; S821-F860 PolarHBondContact N-O 2.64Å; S821-F860 PolarHBondContact O-N 2.88Å; L823-F860 HydrophobicContact CB-CD1 4.42Å; L823-F860 HydrophobicContact CB-CE1 3.91Å; F860-D881 WeakPolarHBondContact CB-OD1 3.3Å
861G88.8Confident77.9Confident9 Ų945.5 Ų45.59%0.09327%0.271CS..EExtended strand (participates in β ladder)trans-171.8-178.6-175.600000113.7E819 L879E819-G861 CarbonylContact O-C 3.37Å; E819-G861 WeakPolarHBondContact O-CA 3.12Å; G861-L879 WeakPolarHBondContact O-CB 3.41Å; G861-L879 PolarHBondContact O-N 2.96Å
862N90.7Very high77.4Confident35 Ų3548 Ų4819%0.18730%0.301CS..EExtended strand (participates in β ladder)trans-138.2155174.570.666.3000110.5E819 S864 I877E819-N862 PolarHBondContact N-O 3.06Å; E819-N862 PolarHBondContact O-N 2.62Å; E819-N862 PolarHBondContact OE2-ND2 3.47Å; N862-S864 PolarHBondContact OD1-OG 2.89Å; N862-S864 VanDerWaalsContact OD1-OG 3.04Å; N862-I877 CarbonylContact C-O 3.54Å; N862-I877 VanDerWaalsContact CA-O 3.27Å; N862-I877 WeakPolarHBondContact CA-O 3.3Å
863I90.2Very high77.2Confident0 Ų051.8 Ų51.80%031%0.311CS..EExtended strand (participates in β ladder)trans-109.4118.5167.5-66.5172.3000107.2V786 A788 V805 L816 T817 L818 Y865 C876 I877 L879V786-I863 HydrophobicContact CG1-CD1 4.42Å; V786-I863 HydrophobicContact CG1-CG2 4.5Å; A788-I863 HydrophobicContact CB-CD1 3.73Å; V805-I863 HydrophobicContact CG2-CD1 4.28Å; L816-I863 HydrophobicContact CD1-CG2 4.28Å; L816-I863 HydrophobicContact CD2-CG2 3.98Å; L816-I863 HydrophobicContact CG-CG2 3.87Å; T817-I863 WeakPolarHBondContact O-CA 3.49Å; L818-I863 HydrophobicContact CD1-CD1 4.36Å; L818-I863 HydrophobicContact CD1-CG1 3.74Å; I863-Y865 HydrophobicContact CG2-CD1 4.36Å; I863-C876 WeakPolarHBondContact O-CA 2.92Å; I863-I877 PolarHBondContact N-O 2.69Å; I863-I877 PolarHBondContact O-N 3.18Å; I863-L879 HydrophobicContact CD1-CD2 3.65Å; I863-L879 HydrophobicContact CG1-CD1 4.11Å; I863-L879 HydrophobicContact CG1-CD2 3.81Å; I863-L879 HydrophobicContact CG1-CG 4.29Å
864S89.2Confident77.6Confident29 Ų2955.3 Ų55.320%0.20333%0.332CS..EExtended strand (participates in β ladder)trans-110.2133.9176.7-63.70000109.9L816 T817 N862 T875L816-S864 CarbonylContact C-O 3.46Å; L816-S864 WeakPolarHBondContact CA-O 3.25Å; T817-S864 PolarHBondContact N-O 3.44Å; T817-S864 PolarHBondContact O-N 3.11Å; N862-S864 PolarHBondContact OD1-OG 2.89Å; N862-S864 VanDerWaalsContact OD1-OG 3.04Å; S864-T875 CarbonylContact C-O 3.48Å; S864-T875 WeakPolarHBondContact CA-O 3.15Å
865Y88.7Confident78.3Confident9 Ų957.8 Ų57.84%0.03535%0.347CS..EExtended strand (participates in β ladder)trans-149.7158.1-179.765.4-93.3000112.6P785 V786 L813 I863 V867 T875 I877P785-Y865 WeakPolarHBondContact CB-OH 3.4Å; V786-Y865 HydrophobicContact CG2-CD1 3.87Å; V786-Y865 HydrophobicContact CG2-CE1 3.57Å; L813-Y865 HydrophobicContact CB-CD2 4.31Å; L813-Y865 HydrophobicContact CD1-CD2 4.12Å; L813-Y865 HydrophobicContact CD1-CE2 4.31Å; L813-Y865 HydrophobicContact CD1-CG 4.28Å; L813-Y865 HydrophobicContact CD2-CD2 3.61Å; L813-Y865 HydrophobicContact CD2-CE2 3.67Å; L813-Y865 HydrophobicContact CG-CD2 4.21Å; I863-Y865 HydrophobicContact CG2-CD1 4.36Å; Y865-V867 HydrophobicContact CD2-CG2 4.24Å; Y865-V867 HydrophobicContact CE2-CG2 3.84Å; Y865-T875 HydrophobicContact CE1-CG2 4.19Å; Y865-T875 HydrophobicContact CE2-CG2 4.41Å; Y865-T875 PolarHBondContact N-O 2.77Å; Y865-T875 PolarHBondContact O-N 3.21Å; Y865-T875 WeakPolarHBondContact OH-CG2 3.44Å; Y865-I877 HydrophobicContact CE1-CD1 3.75Å; Y865-I877 HydrophobicContact CE1-CG1 4.17Å
866D86.3Confident78.9Confident38 Ų3858.2 Ų58.220%0.20336%0.356CS..EExtended strand (participates in β ladder)trans-108.8131.6176-66.3-35.4000110.6Q814 N815 T874Q814-D866 PolarHBondContact N-O 3.11Å; Q814-D866 PolarHBondContact O-N 2.91Å; N815-D866 PolarHBondContact ND2-OD2 3.2Å; D866-T874 WeakPolarHBondContact OD1-CA 3.48Å; D866-T874 WeakPolarHBondContact OD1-CG2 3.29Å
867V79.1Confident79.6Confident36 Ų3656.4 Ų56.422%0.21835%0.346CS..EExtended strand (participates in β ladder)trans-84.4128.9173.1-177.20000109.4D811 L813 Y865 G869 S870D811-V867 HydrophobicContact CB-CG1 3.8Å; L813-V867 HydrophobicContact CD2-CG2 4.17Å; Y865-V867 HydrophobicContact CD2-CG2 4.24Å; Y865-V867 HydrophobicContact CE2-CG2 3.84Å; V867-G869 PolarHBondContact O-N 2.84Å; V867-S870 PolarHBondContact O-N 3.44Å; V867-S870 VanDerWaalsContact O-N 3.08Å
868R68.5Low80.1Confident171 Ų17161.9 Ų61.965%0.64538%0.379SS*.THydrogen-bonded Turntrans-58.8112.1179.9-166.1-177.9-168.9-149.42.9111.2T812T812-R868 PolarHBondContact O-N 3.47Å
869G66.7Low80.3Confident77 Ų7760 Ų6079%0.79437%0.369SS*.THydrogen-bonded Turntrans110.1-14178.400000114.5V867V867-G869 PolarHBondContact O-N 2.84Å
870S59.9Low80.4Confident66 Ų6665 Ų6546%0.46240%0.396SS..  trans-78.9131170-75.80000110.5V867 G872V867-S870 PolarHBondContact O-N 3.44Å; V867-S870 VanDerWaalsContact O-N 3.08Å; S870-G872 PolarHBondContact O-N 3.19Å
871S59.8Low80.4Confident123 Ų12364.7 Ų64.786%0.8640%0.398SS*.SBendtrans-8181.8-178.1-56.40000110.2E873S871-E873 PolarHBondContact O-N 3.05Å
872G63.3Low80.2Confident72 Ų7264.4 Ų64.474%0.74239%0.394SS*.SBendtrans80.214.2167.500000116.9S870 T874S870-G872 PolarHBondContact O-N 3.19Å; G872-T874 PolarHBondContact O-N 2.64Å
873E67.6Low79.8Confident146 Ų14668.7 Ų68.768%0.68241%0.413SS*.  trans-89.294.4169.8-72.1-176.1172.100110.3S871 T875S871-E873 PolarHBondContact O-N 3.05Å; E873-T875 PolarHBondContact O-N 2.83Å
874T76.4Confident79.1Confident100 Ų10069.5 Ų69.561%0.61342%0.417SS*.EExtended strand (participates in β ladder)trans-70.2118.1166.949.10000108.9D866 G872D866-T874 WeakPolarHBondContact OD1-CA 3.48Å; D866-T874 WeakPolarHBondContact OD1-CG2 3.29Å; G872-T874 PolarHBondContact O-N 2.64Å
875T83.5Confident78.4Confident56 Ų5671 Ų7134%0.34442%0.422SS..EExtended strand (participates in β ladder)trans-88.8135.8173.5-54.90000109.2S864 Y865 E873S864-T875 CarbonylContact C-O 3.48Å; S864-T875 WeakPolarHBondContact CA-O 3.15Å; Y865-T875 HydrophobicContact CE1-CG2 4.19Å; Y865-T875 HydrophobicContact CE2-CG2 4.41Å; Y865-T875 PolarHBondContact N-O 2.77Å; Y865-T875 PolarHBondContact O-N 3.21Å; Y865-T875 WeakPolarHBondContact OH-CG2 3.44Å; E873-T875 PolarHBondContact O-N 2.83Å
876C84.9Confident77.5Confident71 Ų7170.9 Ų70.948%0.4842%0.423SS..EExtended strand (participates in β ladder)trans-122.8125.7-179.5-178.50000109.4I863I863-C876 WeakPolarHBondContact O-CA 2.92Å
877I87.5Confident76.5Confident19 Ų1969.6 Ų69.610%0.09742%0.416CS..EExtended strand (participates in β ladder)trans-108.1120.3173.7-60.1171.7000107.5T780 D784 V786 N862 I863 Y865T780-I877 HydrophobicContact CG2-CG2 3.71Å; D784-I877 HydrophobicContact CB-CD1 4.46Å; V786-I877 HydrophobicContact CB-CD1 3.89Å; V786-I877 HydrophobicContact CG2-CD1 4.23Å; N862-I877 CarbonylContact C-O 3.54Å; N862-I877 VanDerWaalsContact CA-O 3.27Å; N862-I877 WeakPolarHBondContact CA-O 3.3Å; I863-I877 PolarHBondContact N-O 2.69Å; I863-I877 PolarHBondContact O-N 3.18Å; Y865-I877 HydrophobicContact CE1-CD1 3.75Å; Y865-I877 HydrophobicContact CE1-CG1 4.17Å
878V88.8Confident75.9Confident116 Ų11674.6 Ų74.670%0.70344%0.437SS*.EExtended strand (participates in β ladder)trans-78.4127.2176-176.90000108.6
879L89.8Confident75.9Confident6 Ų667.7 Ų67.73%0.03141%0.41CS..PPolyproline II helixtrans-83152-179.3-56.5171.4000110.6L779 T780 A788 L818 L820 G861 I863L779-L879 HydrophobicContact CB-CB 4.28Å; L779-L879 HydrophobicContact CB-CD2 3.87Å; L779-L879 HydrophobicContact CD1-CD1 4.17Å; L779-L879 HydrophobicContact CD1-CD2 4.41Å; L779-L879 HydrophobicContact CD2-CB 4.41Å; T780-L879 HydrophobicContact CG2-CD2 3.47Å; T780-L879 VanDerWaalsContact CG2-CD2 3.47Å; A788-L879 HydrophobicContact CB-CD2 4.44Å; L818-L879 HydrophobicContact CD1-CD1 3.49Å; L818-L879 VanDerWaalsContact CD1-CD1 3.49Å; L820-L879 HydrophobicContact CD2-CD1 4.48Å; G861-L879 WeakPolarHBondContact O-CB 3.41Å; G861-L879 PolarHBondContact O-N 2.96Å; I863-L879 HydrophobicContact CD1-CD2 3.65Å; I863-L879 HydrophobicContact CG1-CD1 4.11Å; I863-L879 HydrophobicContact CG1-CD2 3.81Å; I863-L879 HydrophobicContact CG1-CG 4.29Å
880N89.9Confident76.4Confident108 Ų10864.2 Ų64.258%0.57837%0.374SS*.PPolyproline II helixtrans-67.8145168.6-166.727.5000111L779L779-N880 VanDerWaalsContact CD2-O 3.3Å; L779-N880 WeakPolarHBondContact CD2-O 3.28Å; L779-N880 WeakPolarHBondContact O-CB 3.46Å; L779-N880 PolarHBondContact O-N 3.02Å
881D88Confident77.2Confident71 Ų7166 Ų6638%0.3838%0.376SS..PPolyproline II helixtrans-73.1137.5-176.3-64.5-10.9000111.1I858 F860I858-D881 HydrophobicContact CG2-CB 3.81Å; F860-D881 WeakPolarHBondContact CB-OD1 3.3Å
882I85.4Confident78.1Confident4 Ų463.9 Ų63.92%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-96.8114.3170.5-58.1171.9000107.9H777 L779 A790 V792 L801 I859H777-I882 HydrophobicContact CB-CG1 4.34Å; L779-I882 HydrophobicContact CD2-CD1 3.89Å; L779-I882 HydrophobicContact CD2-CG1 3.82Å; A790-I882 HydrophobicContact CB-CD1 3.89Å; V792-I882 HydrophobicContact CG2-CD1 4.09Å; V792-I882 HydrophobicContact CG2-CG2 3.95Å; L801-I882 HydrophobicContact CD2-CD1 3.37Å; I859-I882 HydrophobicContact CB-CB 4.29Å; I859-I882 PolarHBondContact N-O 3.39Å; I859-I882 PolarHBondContact O-N 2.91Å
883H81.8Confident78.8Confident125 Ų12561.3 Ų61.358%0.57933%0.331SS*.EExtended strand (participates in β ladder)trans-88.6119.6171.7-63.2-38.4000110.4
884I76.6Confident79.2Confident17 Ų1758.4 Ų58.49%0.08732%0.324CS..EExtended strand (participates in β ladder)trans-93.2105.9173.5-63.1149.5000108.1I799 L826 G857 I859I799-I884 HydrophobicContact CD1-CD1 3.42Å; I799-I884 VanDerWaalsContact CD1-CD1 3.42Å; I799-I884 HydrophobicContact CD1-CG1 4.23Å; I799-I884 HydrophobicContact CD1-CG2 4.25Å; L826-I884 HydrophobicContact CD1-CD1 3.63Å; G857-I884 PolarHBondContact O-N 2.71Å; I859-I884 HydrophobicContact CD1-CD1 3.4Å; I859-I884 VanDerWaalsContact CD1-CD1 3.4Å; I859-I884 HydrophobicContact CD1-CG1 4.33Å; I859-I884 HydrophobicContact CG1-CD1 3.79Å
885D73.2Confident79.4Confident59 Ų5954.8 Ų54.832%0.31630%0.302SS..  trans-82.8118.8176-167.8-10.6000110M887 R1000D885-M887 PolarHBondContact O-N 2.92Å; D885-M887 WeakPolarHBondContact OD1-CB 3.47Å; D885-M887 WeakPolarHBondContact OD1-CG 3.32Å; D885-M887 PolarHBondContact OD1-N 2.87Å; D885-M887 VanDerWaalsContact OD1-N 3.08Å; D885-R1000 IonicContact OD2-CZ 2.72Å; D885-R1000 VanDerWaalsContact OD2-CZ 3.32Å; D885-R1000 IonicContact OD2-NH1 3.64Å; D885-R1000 PolarHBondContact OD2-NH1 3.22Å; D885-R1000 IonicContact OD2-NH2 3.68Å; D885-R1000 PolarHBondContact OD2-NH2 3.09Å
886I69.7Low78.8Confident8 Ų855 Ų554%0.04130%0.303CS..G310 helixtrans-75.5-7.3-178.9-74179000112.9T854 E855 E888 Y889 I890T854-I886 VanDerWaalsContact O-CD1 3.25Å; T854-I886 WeakPolarHBondContact O-CD1 3.28Å; E855-I886 VanDerWaalsContact N-CD1 3.29Å; E855-I886 WeakPolarHBondContact O-CD1 3.17Å; I886-E888 PolarHBondContact O-N 3.26Å; I886-Y889 HydrophobicContact CB-CD2 4.18Å; I886-Y889 HydrophobicContact CG1-CD2 4.15Å; I886-Y889 HydrophobicContact CG2-CD2 4.08Å; I886-Y889 WeakPolarHBondContact O-CA 3.36Å; I886-Y889 VanDerWaalsContact O-CB 3.31Å; I886-Y889 WeakPolarHBondContact O-CB 3.4Å; I886-Y889 PolarHBondContact O-N 2.74Å; I886-I890 HydrophobicContact CG2-CD1 4.45Å; I886-I890 HydrophobicContact CG2-CG1 4.41Å
887M66Low78.3Confident11 Ų1155.8 Ų55.85%0.05431%0.307CS..G310 helixtrans-56.4-27.3-179.7-73.1-55.5-46.300114.2D885 Y889 I890 T933 N934 M997 R1000D885-M887 PolarHBondContact O-N 2.92Å; D885-M887 WeakPolarHBondContact OD1-CB 3.47Å; D885-M887 WeakPolarHBondContact OD1-CG 3.32Å; D885-M887 PolarHBondContact OD1-N 2.87Å; D885-M887 VanDerWaalsContact OD1-N 3.08Å; M887-Y889 PolarHBondContact O-N 2.68Å; M887-I890 HydrophobicContact CE-CB 4.47Å; M887-I890 PolarHBondContact O-N 2.76Å; M887-I890 HydrophobicContact SD-CD1 4.05Å; M887-T933 VanDerWaalsContact CE-C 3.42Å; M887-T933 VanDerWaalsContact CE-O 3.28Å; M887-T933 WeakPolarHBondContact CE-O 3.43Å; M887-N934 HydrophobicContact CE-CB 4.35Å; M887-N934 PolarHBondContact O-ND2 2.82Å; M887-M997 HydrophobicContact SD-SD 3.79Å; M887-R1000 HydrophobicContact CG-CG 4.3Å; M887-R1000 HydrophobicContact SD-CG 4.1Å
888E66.2Low77.6Confident141 Ų14158.5 Ų58.566%0.65933%0.328SS*.G310 helixtrans-65.7-21.6173.8-65.4-168.3178.400113I886I886-E888 PolarHBondContact O-N 3.26Å
889Y69.5Low77.1Confident25 Ų2557.1 Ų57.110%0.09831%0.314CS..G310 helixtrans-89.6-10.8178.3-59.8-53.8000114.1V794 I886 M887 T959 I960 F961V794-Y889 WeakPolarHBondContact CB-OH 3.31Å; V794-Y889 HydrophobicContact CG1-CE1 4.32Å; V794-Y889 HydrophobicContact CG1-CE2 4.39Å; V794-Y889 WeakPolarHBondContact CG1-OH 3.27Å; I886-Y889 HydrophobicContact CB-CD2 4.18Å; I886-Y889 HydrophobicContact CG1-CD2 4.15Å; I886-Y889 HydrophobicContact CG2-CD2 4.08Å; I886-Y889 WeakPolarHBondContact O-CA 3.36Å; I886-Y889 VanDerWaalsContact O-CB 3.31Å; I886-Y889 WeakPolarHBondContact O-CB 3.4Å; I886-Y889 PolarHBondContact O-N 2.74Å; M887-Y889 PolarHBondContact O-N 2.68Å; Y889-T959 CarbonylContact O-C 3.56Å; Y889-T959 VanDerWaalsContact O-CA 3.25Å; Y889-T959 WeakPolarHBondContact O-CA 3.42Å; Y889-I960 HydrophobicContact CD1-CD1 3.27Å; Y889-I960 HydrophobicContact CD1-CG1 3.6Å; Y889-I960 HydrophobicContact CE1-CD1 3.94Å; Y889-I960 HydrophobicContact CG-CD1 4.1Å; Y889-I960 HydrophobicContact CG-CG1 4.02Å; Y889-I960 PolarHBondContact O-N 3.37Å; Y889-F961 HydrophobicContact CG-CE2 4.23Å
890I76.8Confident76.8Confident4 Ų457.6 Ų57.62%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-97.1111.9-176-57.3-176.6000108.6I886 M887 N934 A957 T959 M997I886-I890 HydrophobicContact CG2-CD1 4.45Å; I886-I890 HydrophobicContact CG2-CG1 4.41Å; M887-I890 HydrophobicContact CE-CB 4.47Å; M887-I890 PolarHBondContact O-N 2.76Å; M887-I890 HydrophobicContact SD-CD1 4.05Å; I890-N934 WeakPolarHBondContact O-CB 3.46Å; I890-N934 PolarHBondContact O-ND2 2.62Å; I890-A957 HydrophobicContact CG2-CB 3.56Å; I890-T959 HydrophobicContact CG1-CG2 4.32Å; I890-M997 HydrophobicContact CD1-CE 4.49Å; I890-M997 HydrophobicContact CD1-CG 4.33Å; I890-M997 HydrophobicContact CD1-SD 3.34Å; I890-M997 WeakPolarHBondContact CD1-SD 3.39Å
891M75.9Confident76.4Confident105 Ų10560.2 Ų60.252%0.51732%0.318SS..EExtended strand (participates in β ladder)trans-105142178.6-65.2-170.2-62.200111.1A893 A957 K958 I960M891-A893 PolarHBondContact O-N 3.18Å; M891-A957 WeakPolarHBondContact O-CA 3.45Å; M891-A957 WeakPolarHBondContact O-CB 3.43Å; M891-K958 PolarHBondContact N-O 2.93Å; M891-K958 PolarHBondContact O-N 3.48Å; M891-K958 VanDerWaalsContact O-O 3.11Å; M891-I960 HydrophobicContact CE-CG2 4.03Å
892P78.9Confident76Confident77 Ų7759.8 Ų59.850%0.531%0.313SS..EExtended strand (participates in β ladder)trans-61.4131.2173.623.7-31.3000110.2N934 R936P892-N934 WeakPolarHBondContact CA-O 3.33Å; P892-N934 VanDerWaalsContact CB-O 3.32Å; P892-N934 WeakPolarHBondContact CB-O 3.37Å; P892-R936 HydrophobicContact CB-CB 3.88Å
893A77.5Confident75.9Confident19 Ų1960.6 Ų60.616%0.15732%0.318CS..  trans-129.1164.3-179.100000110.9M891 Y956 K958M891-A893 PolarHBondContact O-N 3.18Å; A893-Y956 VanDerWaalsContact C-CD1 3.44Å; A893-Y956 HydrophobicContact CB-CD1 3.82Å; A893-Y956 HydrophobicContact CB-CE1 3.4Å; A893-Y956 VanDerWaalsContact O-CD1 3.28Å; A893-Y956 WeakPolarHBondContact O-CD1 3.48Å; A893-K958 HydrophobicContact CB-CB 3.71Å
894T78Confident76.2Confident85 Ų8556.8 Ų56.852%0.52130%0.298SS..  trans-119.6144.7173.851.10000110.4R936 L938T894-R936 VanDerWaalsContact CG2-NH1 3.31Å; T894-L938 HydrophobicContact CG2-CD2 4.45Å
895C78.9Confident76.5Confident24 Ų2460.8 Ų60.816%0.16233%0.328CS..  trans-143.4160.7170.565.10000109.7E899 M903 L938 Y956C895-E899 HydrophobicContact CB-CB 4.32Å; C895-M903 HydrophobicContact CB-CE 3.95Å; C895-L938 VanDerWaalsContact SG-CD1 3.59Å; C895-Y956 HydrophobicContact CB-CD1 4.01Å; C895-Y956 HydrophobicContact CB-CE1 3.72Å
896T72.5Confident77.1Confident59 Ų5963.2 Ų63.236%0.36234%0.337SS..  trans-71.4153.7176.362.70000110.8S898 E899 F900T896-S898 PolarHBondContact O-N 3.02Å; T896-S898 VanDerWaalsContact O-N 3.14Å; T896-S898 PolarHBondContact OG1-OG 3.06Å; T896-E899 WeakPolarHBondContact CB-OE2 3.48Å; T896-E899 PolarHBondContact N-OE2 2.72Å; T896-E899 PolarHBondContact O-N 2.96Å; T896-E899 VanDerWaalsContact O-N 3.13Å; T896-E899 WeakPolarHBondContact OG1-CB 3.38Å; T896-E899 WeakPolarHBondContact OG1-CG 3.42Å; T896-E899 PolarHBondContact OG1-N 3.13Å; T896-E899 PolarHBondContact OG1-OE2 3.3Å; T896-F900 PolarHBondContact O-N 3.1Å
897P73.8Confident77.9Confident88 Ų8863.8 Ų63.857%0.57134%0.339SS*.Hα-helixtrans-59-26.6175.6-26.435.1000114R901P897-R901 VanDerWaalsContact O-CG 3.28Å; P897-R901 WeakPolarHBondContact O-CG 3.44Å; P897-R901 PolarHBondContact O-N 2.84Å; P897-R901 PolarHBondContact O-NH1 3.33Å
898S72.5Confident78.6Confident77 Ų7771.3 Ų71.354%0.53837%0.374SS..Hα-helixtrans-71.1-47.6173.937.10000111.9T896 F900 R901 Q902T896-S898 PolarHBondContact O-N 3.02Å; T896-S898 VanDerWaalsContact O-N 3.14Å; T896-S898 PolarHBondContact OG1-OG 3.06Å; S898-F900 VanDerWaalsContact C-N 3.33Å; S898-R901 PolarHBondContact O-N 2.73Å; S898-Q902 WeakPolarHBondContact O-CB 3.49Å; S898-Q902 PolarHBondContact O-N 3.15Å
899E77.8Confident79.5Confident87 Ų8769.5 Ų69.541%0.40736%0.361SS..Hα-helixtrans-63.9-40.8176.2-70.1160.8159.700110.7C895 T896 R901 Q902 M903C895-E899 HydrophobicContact CB-CB 4.32Å; T896-E899 WeakPolarHBondContact CB-OE2 3.48Å; T896-E899 PolarHBondContact N-OE2 2.72Å; T896-E899 PolarHBondContact O-N 2.96Å; T896-E899 VanDerWaalsContact O-N 3.13Å; T896-E899 WeakPolarHBondContact OG1-CB 3.38Å; T896-E899 WeakPolarHBondContact OG1-CG 3.42Å; T896-E899 PolarHBondContact OG1-N 3.13Å; T896-E899 PolarHBondContact OG1-OE2 3.3Å; E899-R901 VanDerWaalsContact C-N 3.34Å; E899-R901 PolarHBondContact O-N 3.46Å; E899-Q902 PolarHBondContact O-N 2.87Å; E899-M903 HydrophobicContact CB-CE 4.23Å; E899-M903 WeakPolarHBondContact O-CB 3.23Å; E899-M903 VanDerWaalsContact O-CG 3.29Å; E899-M903 WeakPolarHBondContact O-CG 3.28Å; E899-M903 PolarHBondContact O-N 3.42Å
900F84Confident80.4Confident15 Ų1571.7 Ų71.77%0.06637%0.373CS..Hα-helixtrans-56.9-48174.7-174.1-84000111.2T896 S898 W904 L938 T954 L966T896-F900 PolarHBondContact O-N 3.1Å; S898-F900 VanDerWaalsContact C-N 3.33Å; F900-W904 HydrophobicContact CD1-CB 4.48Å; F900-W904 HydrophobicContact CE1-CB 4.38Å; F900-W904 HydrophobicContact CE1-CD2 4.19Å; F900-W904 AromaticContact CE1-CE3 3.74Å; F900-W904 HydrophobicContact CE1-CE3 3.74Å; F900-W904 HydrophobicContact CE1-CG 4.48Å; F900-W904 HydrophobicContact CE1-CZ3 4.45Å; F900-W904 AromaticContact CZ-CE3 3.64Å; F900-W904 HydrophobicContact CZ-CE3 3.64Å; F900-W904 HydrophobicContact CZ-CZ3 4.02Å; F900-W904 WeakPolarHBondContact O-CB 3.4Å; F900-W904 PolarHBondContact O-N 2.79Å; F900-L938 HydrophobicContact CD2-CD1 3.63Å; F900-L938 HydrophobicContact CE2-CD1 4.2Å; F900-L938 HydrophobicContact CG-CD1 4.42Å; F900-T954 HydrophobicContact CE1-CG2 3.89Å; F900-T954 HydrophobicContact CZ-CG2 3.97Å; F900-L966 HydrophobicContact CD2-CD2 3.4Å; F900-L966 HydrophobicContact CD2-CG 4.48Å; F900-L966 HydrophobicContact CE2-CB 3.9Å; F900-L966 HydrophobicContact CE2-CD2 3.42Å; F900-L966 VanDerWaalsContact CE2-CD2 3.42Å; F900-L966 HydrophobicContact CE2-CG 4.16Å; F900-L966 HydrophobicContact CG-CD2 4.26Å; F900-L966 HydrophobicContact CZ-CB 4.1Å; F900-L966 HydrophobicContact CZ-CD2 4.29Å
901R81.4Confident81Confident164 Ų16473.5 Ų73.562%0.61938%0.382SS*.Hα-helixtrans-64.9-42.2179-74.3-179.8-166.298.8-6.9112.1P897 S898 E899 W904 S905P897-R901 VanDerWaalsContact O-CG 3.28Å; P897-R901 WeakPolarHBondContact O-CG 3.44Å; P897-R901 PolarHBondContact O-N 2.84Å; P897-R901 PolarHBondContact O-NH1 3.33Å; S898-R901 PolarHBondContact O-N 2.73Å; E899-R901 VanDerWaalsContact C-N 3.34Å; E899-R901 PolarHBondContact O-N 3.46Å; R901-W904 PolarHBondContact O-N 3.14Å; R901-S905 WeakPolarHBondContact O-CB 3.48Å; R901-S905 PolarHBondContact O-N 3.07Å; R901-S905 PolarHBondContact O-OG 3.41Å
902Q79.5Confident81.7Confident61 Ų6173.1 Ų73.129%0.28538%0.378SS..Hα-helixtrans-59.8-55.2176-179.1-179.1-7.500110.4S898 E899 W904 S905 E906S898-Q902 WeakPolarHBondContact O-CB 3.49Å; S898-Q902 PolarHBondContact O-N 3.15Å; E899-Q902 PolarHBondContact O-N 2.87Å; Q902-W904 VanDerWaalsContact C-N 3.28Å; Q902-W904 PolarHBondContact O-N 3.25Å; Q902-S905 WeakPolarHBondContact O-CB 3.09Å; Q902-S905 PolarHBondContact O-N 3.31Å; Q902-S905 VanDerWaalsContact O-N 3.1Å; Q902-E906 HydrophobicContact CG-CG 4.44Å; Q902-E906 WeakPolarHBondContact CG-OE1 3.45Å; Q902-E906 PolarHBondContact NE2-OE1 3.43Å; Q902-E906 WeakPolarHBondContact O-CG 3.21Å; Q902-E906 PolarHBondContact O-N 3.18Å
903M83.9Confident82.2Confident22 Ų2270 Ų7011%0.10836%0.357CS..Hα-helixtrans-60.4-38.2178-68.4-173.4-71.200111.8C895 E899 S905 E906 F907 Y956 H964 L966C895-M903 HydrophobicContact CB-CE 3.95Å; E899-M903 HydrophobicContact CB-CE 4.23Å; E899-M903 WeakPolarHBondContact O-CB 3.23Å; E899-M903 VanDerWaalsContact O-CG 3.29Å; E899-M903 WeakPolarHBondContact O-CG 3.28Å; E899-M903 PolarHBondContact O-N 3.42Å; M903-S905 VanDerWaalsContact C-N 3.29Å; M903-S905 PolarHBondContact O-N 3.17Å; M903-E906 PolarHBondContact O-N 3.37Å; M903-F907 HydrophobicContact CB-CE1 3.87Å; M903-F907 HydrophobicContact CB-CE2 4.28Å; M903-F907 HydrophobicContact CB-CZ 3.7Å; M903-F907 HydrophobicContact CG-CE1 4.26Å; M903-F907 HydrophobicContact CG-CZ 4.1Å; M903-F907 WeakPolarHBondContact O-CB 3.43Å; M903-F907 WeakPolarHBondContact O-CD1 3.36Å; M903-F907 WeakPolarHBondContact O-CG 3.47Å; M903-F907 PolarHBondContact O-N 3.23Å; M903-F907 HydrophobicContact SD-CZ 4.13Å; M903-Y956 HydrophobicContact CE-CE2 4.2Å; M903-H964 HydrophobicContact SD-CB 4.28Å; M903-L966 HydrophobicContact CB-CD1 3.69Å; M903-L966 HydrophobicContact CE-CD2 4.05Å
904W88.3Confident82.8Confident45 Ų4572.5 Ų72.517%0.1737%0.37CS..Hα-helixtrans-63-37177.1-171.6-86.8000112.2F900 R901 Q902 L966 N968 R985 R987F900-W904 HydrophobicContact CD1-CB 4.48Å; F900-W904 HydrophobicContact CE1-CB 4.38Å; F900-W904 HydrophobicContact CE1-CD2 4.19Å; F900-W904 AromaticContact CE1-CE3 3.74Å; F900-W904 HydrophobicContact CE1-CE3 3.74Å; F900-W904 HydrophobicContact CE1-CG 4.48Å; F900-W904 HydrophobicContact CE1-CZ3 4.45Å; F900-W904 AromaticContact CZ-CE3 3.64Å; F900-W904 HydrophobicContact CZ-CE3 3.64Å; F900-W904 HydrophobicContact CZ-CZ3 4.02Å; F900-W904 WeakPolarHBondContact O-CB 3.4Å; F900-W904 PolarHBondContact O-N 2.79Å; R901-W904 PolarHBondContact O-N 3.14Å; Q902-W904 VanDerWaalsContact C-N 3.28Å; Q902-W904 PolarHBondContact O-N 3.25Å; W904-L966 HydrophobicContact CB-CD1 4.1Å; W904-L966 HydrophobicContact CE3-CB 3.64Å; W904-L966 HydrophobicContact CE3-CD1 4Å; W904-L966 HydrophobicContact CE3-CG 4.46Å; W904-L966 HydrophobicContact CZ3-CB 3.78Å; W904-N968 HydrophobicContact CH2-CB 3.53Å; W904-N968 HydrophobicContact CZ2-CB 4.09Å; W904-N968 HydrophobicContact CZ3-CB 4.07Å; W904-R985 HydrophobicContact CH2-CB 4.09Å; W904-R985 HydrophobicContact CZ2-CB 4.38Å; W904-R987 HydrophobicContact CE3-CB 4.32Å; W904-R987 HydrophobicContact CE3-CG 4.42Å; W904-R987 HydrophobicContact CH2-CB 4.47Å; W904-R987 HydrophobicContact CH2-CG 3.98Å; W904-R987 HydrophobicContact CZ2-CG 4.08Å; W904-R987 HydrophobicContact CZ3-CB 4.17Å; W904-R987 HydrophobicContact CZ3-CG 4.16Å; W904-R987 PolarHBondContact O-NH1 2.63Å
905S82.9Confident83.1Confident101 Ų10168.5 Ų68.571%0.70635%0.346SS*.Hα-helixtrans-74.8-35.1174.7-72.30000113R901 Q902 M903R901-S905 WeakPolarHBondContact O-CB 3.48Å; R901-S905 PolarHBondContact O-N 3.07Å; R901-S905 PolarHBondContact O-OG 3.41Å; Q902-S905 WeakPolarHBondContact O-CB 3.09Å; Q902-S905 PolarHBondContact O-N 3.31Å; Q902-S905 VanDerWaalsContact O-N 3.1Å; M903-S905 VanDerWaalsContact C-N 3.29Å; M903-S905 PolarHBondContact O-N 3.17Å
906E84.5Confident83.2Confident110 Ų11073.4 Ų73.451%0.51437%0.37SS..Hα-helixtrans-76.4-29.9-179.9-73.3172.8-174.200113.3Q902 M903 E908Q902-E906 HydrophobicContact CG-CG 4.44Å; Q902-E906 WeakPolarHBondContact CG-OE1 3.45Å; Q902-E906 PolarHBondContact NE2-OE1 3.43Å; Q902-E906 WeakPolarHBondContact O-CG 3.21Å; Q902-E906 PolarHBondContact O-N 3.18Å; M903-E906 PolarHBondContact O-N 3.37Å; E906-E908 PolarHBondContact O-N 3.16Å
907F86.6Confident83.5Confident19 Ų1971.1 Ų71.18%0.08336%0.356CS..  trans-74.5122.3-174.4-69.93.8000112M903 H964 L966 R987M903-F907 HydrophobicContact CB-CE1 3.87Å; M903-F907 HydrophobicContact CB-CE2 4.28Å; M903-F907 HydrophobicContact CB-CZ 3.7Å; M903-F907 HydrophobicContact CG-CE1 4.26Å; M903-F907 HydrophobicContact CG-CZ 4.1Å; M903-F907 WeakPolarHBondContact O-CB 3.43Å; M903-F907 WeakPolarHBondContact O-CD1 3.36Å; M903-F907 WeakPolarHBondContact O-CG 3.47Å; M903-F907 PolarHBondContact O-N 3.23Å; M903-F907 HydrophobicContact SD-CZ 4.13Å; F907-H964 HydrophobicContact CE2-CB 3.84Å; F907-H964 WeakPolarHBondContact CE2-O 3.48Å; F907-H964 HydrophobicContact CZ-CB 3.45Å; F907-H964 VanDerWaalsContact CZ-CB 3.45Å; F907-L966 HydrophobicContact CD2-CD1 3.59Å; F907-L966 HydrophobicContact CD2-CG 4.08Å; F907-L966 HydrophobicContact CE2-CD1 3.47Å; F907-L966 VanDerWaalsContact CE2-CD1 3.47Å; F907-L966 HydrophobicContact CE2-CG 3.68Å; F907-L966 HydrophobicContact CG-CD1 4.43Å; F907-L966 HydrophobicContact CZ-CD1 4.21Å; F907-R987 HydrophobicContact CB-CB 4.18Å; F907-R987 HydrophobicContact CD2-CB 4.31Å
908E82Confident83.7Confident169 Ų16974 Ų7479%0.7936%0.362SS*.  trans-77-34.4-174.1-61.2-177.716700113.2E906E906-E908 PolarHBondContact O-N 3.16Å
909W84.3Confident84Confident103 Ų10371.4 Ų71.439%0.3934%0.342SS..EExtended strand (participates in β ladder)trans-97.5124.6-172.7-64.293.6000112R987 A988 K989 Q991 A994W909-R987 WeakPolarHBondContact O-CA 3.38Å; W909-A988 PolarHBondContact N-O 3.35Å; W909-A988 PolarHBondContact O-N 2.92Å; W909-A988 VanDerWaalsContact O-N 3.16Å; W909-K989 VanDerWaalsContact CD1-O 3.3Å; W909-Q991 HydrophobicContact CD2-CB 3.55Å; W909-Q991 HydrophobicContact CD2-CG 3.94Å; W909-Q991 HydrophobicContact CE3-CB 3.73Å; W909-Q991 HydrophobicContact CE3-CG 3.54Å; W909-Q991 HydrophobicContact CG-CB 4.06Å; W909-Q991 HydrophobicContact CH2-CB 4.13Å; W909-Q991 HydrophobicContact CH2-CG 4.08Å; W909-Q991 VanDerWaalsContact CH2-OE1 3.24Å; W909-Q991 HydrophobicContact CZ2-CB 3.99Å; W909-Q991 HydrophobicContact CZ2-CG 4.46Å; W909-Q991 HydrophobicContact CZ3-CB 4.01Å; W909-Q991 HydrophobicContact CZ3-CG 3.61Å; W909-A994 HydrophobicContact CB-CB 4.26Å
910E88Confident84.1Confident72 Ų7272 Ų7234%0.33634%0.344SS..EExtended strand (participates in β ladder)trans-122.5133.2174.1-177.1179.1161.200110.8R985 I986 R987E910-R985 VanDerWaalsContact OE1-CD 3.28Å; E910-R985 WeakPolarHBondContact OE1-CD 3.44Å; E910-R985 WeakPolarHBondContact OE1-CG 3.48Å; E910-R985 IonicContact OE1-CZ 3.1Å; E910-R985 IonicContact OE1-NE 2.71Å; E910-R985 PolarHBondContact OE1-NE 2.97Å; E910-I986 CarbonylContact C-O 3.51Å; E910-I986 WeakPolarHBondContact CA-O 3.28Å; E910-R987 HydrophobicContact CB-CG 3.9Å; E910-R987 HydrophobicContact CG-CG 3.99Å; E910-R987 IonicContact OE2-CZ 3.4Å; E910-R987 VanDerWaalsContact OE2-CZ 3.31Å; E910-R987 IonicContact OE2-NE 2.66Å; E910-R987 PolarHBondContact OE2-NE 3.42Å; E910-R987 VanDerWaalsContact OE2-NE 3.08Å; E910-R987 IonicContact OE2-NH2 3.34Å; E910-R987 PolarHBondContact OE2-NH2 3.46Å
911N88.9Confident84Confident41 Ų4174.6 Ų74.622%0.21936%0.358CS..EExtended strand (participates in β ladder)trans-118.4124.2168.2-171.24.6000109.9I986 A994N911-I986 PolarHBondContact N-O 2.92Å; N911-I986 PolarHBondContact O-N 2.91Å; N911-A994 HydrophobicContact CB-CB 4.21Å; N911-A994 VanDerWaalsContact CB-O 3.28Å; N911-A994 WeakPolarHBondContact CB-O 3.42Å; N911-A994 PolarHBondContact ND2-O 3.32Å
912K91.8Very high84.1Confident98 Ų9867.3 Ų67.343%0.42633%0.331SS..EExtended strand (participates in β ladder)trans-106.7110.5179.9-175.1-176176.6-168.50109.8H983 R985K912-H983 VanDerWaalsContact CE-CD2 3.46Å; K912-H983 WeakPolarHBondContact CE-CD2 3.29Å; K912-H983 WeakPolarHBondContact CE-ND1 3.38Å; K912-H983 HydrophobicContact CG-CB 4.28Å; K912-H983 PolarHBondContact NZ-CD2 3.49Å; K912-H983 PolarHBondContact NZ-NE2 3.41Å; K912-R985 HydrophobicContact CB-CG 4.41Å; K912-R985 HydrophobicContact CG-CG 4.08Å
913V89.8Confident84.2Confident12 Ų1268 Ų687%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-100.8126.7178.4-173.30000109.6H983 V984 V1001V913-H983 CarbonylContact O-C 3.57Å; V913-H983 VanDerWaalsContact O-CA 3.31Å; V913-H983 WeakPolarHBondContact O-CA 3.29Å; V913-V984 HydrophobicContact CB-CB 4.5Å; V913-V984 PolarHBondContact N-O 3.47Å; V913-V984 PolarHBondContact O-N 3.39Å; V913-V1001 HydrophobicContact CB-CG1 4.33Å; V913-V1001 HydrophobicContact CG1-CG1 4.03Å
914T89.6Confident84.1Confident70 Ų7069.8 Ų69.843%0.42935%0.346SS..EExtended strand (participates in β ladder)trans-78.4138.3173-56.70000110.4N916 H983T914-N916 PolarHBondContact O-N 3.29Å; T914-H983 PolarHBondContact OG1-ND1 2.7Å
915V84.4Confident83.9Confident2 Ų267.8 Ų67.81%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-85.2111.4179.2178.80000109.4T917 Y925 L971 G982 V984 Q1005V915-T917 HydrophobicContact CG1-CG2 3.94Å; V915-Y925 HydrophobicContact CG1-CD2 4.15Å; V915-Y925 HydrophobicContact CG1-CE1 4.37Å; V915-Y925 HydrophobicContact CG1-CE2 3.42Å; V915-Y925 VanDerWaalsContact CG1-CE2 3.42Å; V915-Y925 HydrophobicContact CG2-CE1 4.37Å; V915-Y925 WeakPolarHBondContact CG2-OH 3.23Å; V915-L971 HydrophobicContact CB-CD2 4.24Å; V915-L971 HydrophobicContact CG1-CD2 4.07Å; V915-L971 HydrophobicContact CG2-CD2 3.77Å; V915-G982 PolarHBondContact N-O 2.96Å; V915-V984 HydrophobicContact CG2-CG2 3.73Å; V915-Q1005 VanDerWaalsContact CA-OE1 3.3Å
916N80.5Confident84Confident126 Ų12663.6 Ų63.667%0.67431%0.308SS*.EExtended strand (participates in β ladder)trans-121.692.6174.3-69.9-29000108.3T914 Q1005T914-N916 PolarHBondContact O-N 3.29Å; N916-Q1005 PolarHBondContact O-OE1 3.46Å
917T78.6Confident83.9Confident11 Ų1162 Ų627%0.06731%0.309CS..  trans-129.3164.2-177.5-175.40000111V915 I919 Y925 P979 V980V915-T917 HydrophobicContact CG1-CG2 3.94Å; T917-I919 HydrophobicContact CG2-CB 4.08Å; T917-I919 WeakPolarHBondContact OG1-CD1 3.38Å; T917-I919 VanDerWaalsContact OG1-CG1 3.32Å; T917-I919 WeakPolarHBondContact OG1-CG1 3.15Å; T917-I919 PolarHBondContact OG1-N 2.9Å; T917-Y925 HydrophobicContact CG2-CD2 3.87Å; T917-Y925 HydrophobicContact CG2-CE2 4.04Å; T917-P979 WeakPolarHBondContact O-CB 3.36Å; T917-V980 HydrophobicContact CG2-CB 4.22Å; T917-V980 WeakPolarHBondContact CG2-O 3.47Å
918Q78Confident83.7Confident149 Ų14963.8 Ų63.870%0.69632%0.317SS*.SBendtrans-97.46.3170-64-61.5-22.500112.5
919I79.8Confident83.9Confident23 Ų2356.3 Ų56.312%0.11828%0.283CS..  trans-82.2134.2-176.6-65.6166.6000109.9T917 D921 T924 Y925 P979 V980 W1008T917-I919 HydrophobicContact CG2-CB 4.08Å; T917-I919 WeakPolarHBondContact OG1-CD1 3.38Å; T917-I919 VanDerWaalsContact OG1-CG1 3.32Å; T917-I919 WeakPolarHBondContact OG1-CG1 3.15Å; T917-I919 PolarHBondContact OG1-N 2.9Å; I919-D921 WeakPolarHBondContact CG2-O 3.44Å; I919-T924 HydrophobicContact CG2-CG2 4.11Å; I919-Y925 HydrophobicContact CD1-CD2 4.44Å; I919-P979 WeakPolarHBondContact O-CA 3.36Å; I919-V980 WeakPolarHBondContact O-CG2 3.27Å; I919-V980 PolarHBondContact O-N 3.4Å; I919-W1008 HydrophobicContact CD1-CD2 3.33Å; I919-W1008 HydrophobicContact CD1-CE3 3.2Å; I919-W1008 HydrophobicContact CD1-CG 4.08Å; I919-W1008 HydrophobicContact CD1-CH2 3.01Å; I919-W1008 HydrophobicContact CD1-CZ2 3.16Å; I919-W1008 HydrophobicContact CD1-CZ3 3.06Å; I919-W1008 HydrophobicContact CG1-CD2 4.44Å; I919-W1008 HydrophobicContact CG1-CH2 4.43Å; I919-W1008 HydrophobicContact CG1-CZ2 4.35Å
920K79.8Confident83.8Confident100 Ų10053.2 Ų53.244%0.43528%0.275SS..  trans-96.1-12.1-178.7-59.2-177.5177.1-1750113.7K973 D977K920-K973 WeakPolarHBondContact O-CE 3.34Å; K920-K973 PolarHBondContact O-NZ 2.79Å; K920-D977 WeakPolarHBondContact CE-O 3.36Å; K920-D977 IonicContact NZ-OD1 3.9Å; K920-D977 PolarHBondContact NZ-OD1 3.48Å; K920-D977 IonicContact NZ-OD2 3.98Å
921D81.8Confident83.4Confident68 Ų6858.9 Ų58.936%0.36429%0.294SS..  trans-112.1129-176.8177.751.5000112.6I919 F923 T924 Y925I919-D921 WeakPolarHBondContact CG2-O 3.44Å; D921-F923 PolarHBondContact OD2-N 2.82Å; D921-T924 VanDerWaalsContact OD2-CB 3.28Å; D921-T924 WeakPolarHBondContact OD2-CB 3.49Å; D921-T924 PolarHBondContact OD2-N 2.83Å; D921-T924 PolarHBondContact OD2-OG1 3.26Å; D921-Y925 PolarHBondContact O-N 2.98Å
922L82.5Confident83Confident11 Ų1160.7 Ų60.76%0.05830%0.301CS..Hα-helixtrans-67.4-41-175.6-62.8169.3000111.6Y925 L926 C948 L951 L971 K973 V980L922-Y925 WeakPolarHBondContact O-CB 3.31Å; L922-Y925 PolarHBondContact O-N 3.24Å; L922-L926 PolarHBondContact O-N 3.47Å; L922-C948 WeakPolarHBondContact CD1-O 3.5Å; L922-L951 HydrophobicContact CB-CB 4.27Å; L922-L951 HydrophobicContact CB-CD2 3.85Å; L922-L951 HydrophobicContact CD1-CB 4.13Å; L922-L951 HydrophobicContact CD2-CB 4.47Å; L922-L971 HydrophobicContact CD2-CB 3.56Å; L922-L971 HydrophobicContact CD2-CD1 4.23Å; L922-K973 HydrophobicContact CD2-CB 4.5Å; L922-V980 HydrophobicContact CD2-CB 4.24Å; L922-V980 HydrophobicContact CD2-CG1 3.52Å; L922-V980 HydrophobicContact CD2-CG2 3.66Å; L922-V980 HydrophobicContact CG-CG2 4.24Å
923F81.3Confident82.5Confident77 Ų7756 Ų5634%0.33828%0.28SS..Hα-helixtrans-73.4-34.7-178.3-65-71.8000112.7D921 Y925 L926 S927 L944 L951D921-F923 PolarHBondContact OD2-N 2.82Å; F923-Y925 VanDerWaalsContact C-N 3.33Å; F923-L926 PolarHBondContact O-N 3.12Å; F923-S927 WeakPolarHBondContact O-CB 3.19Å; F923-S927 PolarHBondContact O-N 2.99Å; F923-S927 PolarHBondContact O-OG 3.19Å; F923-L944 HydrophobicContact CE1-CB 3.91Å; F923-L944 HydrophobicContact CE1-CD2 4.11Å; F923-L944 WeakPolarHBondContact CE1-O 3.36Å; F923-L944 WeakPolarHBondContact CZ-O 3.48Å; F923-L951 HydrophobicContact CE1-CD1 4.36Å; F923-L951 HydrophobicContact CE1-CD2 4.46Å
924T82.8Confident82Confident59 Ų5958.4 Ų58.436%0.36229%0.292SS..Hα-helixtrans-59.7-46.4171.1-61.50000109.8I919 D921 S927 Q928 W1008I919-T924 HydrophobicContact CG2-CG2 4.11Å; D921-T924 VanDerWaalsContact OD2-CB 3.28Å; D921-T924 WeakPolarHBondContact OD2-CB 3.49Å; D921-T924 PolarHBondContact OD2-N 2.83Å; D921-T924 PolarHBondContact OD2-OG1 3.26Å; T924-S927 PolarHBondContact O-N 3.07Å; T924-Q928 PolarHBondContact O-N 2.87Å; T924-W1008 HydrophobicContact CG2-CH2 4.41Å; T924-W1008 HydrophobicContact CG2-CZ2 3.84Å; T924-W1008 VanDerWaalsContact O-CH2 3.24Å; T924-W1008 WeakPolarHBondContact O-CH2 3.21Å
925Y85.1Confident81.7Confident3 Ų355.2 Ų55.21%0.01227%0.273CS..Hα-helixtrans-54.1-54.2173.2-169.4-85.9000112V915 T917 I919 D921 L922 F923 S927 Q928 I929 L969 L971 Q1005 W1008V915-Y925 HydrophobicContact CG1-CD2 4.15Å; V915-Y925 HydrophobicContact CG1-CE1 4.37Å; V915-Y925 HydrophobicContact CG1-CE2 3.42Å; V915-Y925 VanDerWaalsContact CG1-CE2 3.42Å; V915-Y925 HydrophobicContact CG2-CE1 4.37Å; V915-Y925 WeakPolarHBondContact CG2-OH 3.23Å; T917-Y925 HydrophobicContact CG2-CD2 3.87Å; T917-Y925 HydrophobicContact CG2-CE2 4.04Å; I919-Y925 HydrophobicContact CD1-CD2 4.44Å; D921-Y925 PolarHBondContact O-N 2.98Å; L922-Y925 WeakPolarHBondContact O-CB 3.31Å; L922-Y925 PolarHBondContact O-N 3.24Å; F923-Y925 VanDerWaalsContact C-N 3.33Å; Y925-S927 VanDerWaalsContact C-N 3.33Å; Y925-S927 PolarHBondContact O-N 3.48Å; Y925-Q928 PolarHBondContact O-N 3.22Å; Y925-I929 HydrophobicContact CD1-CG2 4.41Å; Y925-I929 HydrophobicContact CE1-CB 4.29Å; Y925-I929 HydrophobicContact CE1-CD1 3.85Å; Y925-I929 HydrophobicContact CE1-CG2 4.33Å; Y925-I929 PolarHBondContact O-N 3.48Å; Y925-L969 HydrophobicContact CD1-CD1 4.17Å; Y925-L969 HydrophobicContact CD1-CD2 4.37Å; Y925-L969 HydrophobicContact CE1-CD1 3.72Å; Y925-L971 HydrophobicContact CD1-CD1 3.52Å; Y925-L971 HydrophobicContact CD1-CD2 4.03Å; Y925-L971 HydrophobicContact CD1-CG 4.37Å; Y925-L971 HydrophobicContact CE1-CD1 4.3Å; Y925-L971 HydrophobicContact CE1-CD2 4.05Å; Y925-L971 HydrophobicContact CG-CD1 3.95Å; Y925-Q1005 HydrophobicContact CE2-CG 4.25Å; Y925-Q1005 PolarHBondContact OH-NE2 3.23Å; Y925-W1008 HydrophobicContact CD2-CZ3 4.01Å; Y925-W1008 HydrophobicContact CE2-CZ3 4.45Å
926L84.5Confident81.8Confident12 Ų1261.5 Ų61.56%0.06330%0.296CS..Hα-helixtrans-57-43.8179.9173.563.2000112.5L922 F923 Q928 I929 T930 L944 L951 V953 L955 L969L922-L926 PolarHBondContact O-N 3.47Å; F923-L926 PolarHBondContact O-N 3.12Å; L926-Q928 VanDerWaalsContact C-N 3.28Å; L926-Q928 PolarHBondContact O-N 3.38Å; L926-I929 HydrophobicContact CD1-CG2 4.46Å; L926-I929 VanDerWaalsContact O-CG2 3.25Å; L926-I929 WeakPolarHBondContact O-CG2 3.13Å; L926-T930 VanDerWaalsContact O-CB 3.29Å; L926-T930 WeakPolarHBondContact O-CB 3.38Å; L926-T930 PolarHBondContact O-N 2.97Å; L926-T930 PolarHBondContact O-OG1 3.22Å; L926-L944 HydrophobicContact CD2-CD1 4.3Å; L926-L944 HydrophobicContact CD2-CD2 3.99Å; L926-L951 HydrophobicContact CB-CD2 4.43Å; L926-L951 HydrophobicContact CD2-CD2 4.48Å; L926-V953 HydrophobicContact CD1-CB 4.34Å; L926-V953 HydrophobicContact CD1-CG1 3.88Å; L926-V953 HydrophobicContact CD1-CG2 4.46Å; L926-V953 HydrophobicContact CD2-CG1 4.49Å; L926-V953 HydrophobicContact CD2-CG2 4.18Å; L926-L955 HydrophobicContact CD1-CD2 4.09Å; L926-L969 HydrophobicContact CB-CD2 4.32Å; L926-L969 HydrophobicContact CD1-CD2 3.65Å
927S82.2Confident81.9Confident77 Ų7757.2 Ų57.254%0.53828%0.276SS..Hα-helixtrans-63.5-36.1-175.6-62.90000112F923 T924 Y925 R931F923-S927 WeakPolarHBondContact O-CB 3.19Å; F923-S927 PolarHBondContact O-N 2.99Å; F923-S927 PolarHBondContact O-OG 3.19Å; T924-S927 PolarHBondContact O-N 3.07Å; Y925-S927 VanDerWaalsContact C-N 3.33Å; Y925-S927 PolarHBondContact O-N 3.48Å; S927-R931 WeakPolarHBondContact O-CB 3.44Å; S927-R931 PolarHBondContact O-N 2.66Å
928Q82.9Confident81.9Confident57 Ų5758.7 Ų58.727%0.26628%0.283SS..Hα-helixtrans-89.9-31.1-177.2-63.8-12834.500113.9T924 Y925 L926 T930 R931 H932 W1008T924-Q928 PolarHBondContact O-N 2.87Å; Y925-Q928 PolarHBondContact O-N 3.22Å; L926-Q928 VanDerWaalsContact C-N 3.28Å; L926-Q928 PolarHBondContact O-N 3.38Å; Q928-T930 VanDerWaalsContact C-N 3.26Å; Q928-T930 PolarHBondContact O-N 3.29Å; Q928-R931 PolarHBondContact O-N 3.08Å; Q928-H932 WeakPolarHBondContact O-CB 3.47Å; Q928-H932 PolarHBondContact O-CD2 2.75Å; Q928-H932 VanDerWaalsContact O-CD2 3.29Å; Q928-H932 PolarHBondContact O-N 3.26Å; Q928-W1008 HydrophobicContact CB-CD2 4.39Å; Q928-W1008 HydrophobicContact CB-CE3 4.24Å; Q928-W1008 HydrophobicContact CB-CH2 3.11Å; Q928-W1008 HydrophobicContact CB-CZ2 3.3Å; Q928-W1008 HydrophobicContact CB-CZ3 3.62Å; Q928-W1008 HydrophobicContact CG-CH2 3.42Å; Q928-W1008 VanDerWaalsContact CG-CH2 3.42Å; Q928-W1008 HydrophobicContact CG-CZ2 3.03Å; Q928-W1008 HydrophobicContact CG-CZ3 4.34Å
929I85Confident81.9Confident11 Ų1152.8 Ų52.86%0.05626%0.257CS..Hα-helixtrans-60.7-43.7168.5-163.8160.1000109.5Y925 L926 R931 H932 T933 L955 L969 V984 V1001Y925-I929 HydrophobicContact CD1-CG2 4.41Å; Y925-I929 HydrophobicContact CE1-CB 4.29Å; Y925-I929 HydrophobicContact CE1-CD1 3.85Å; Y925-I929 HydrophobicContact CE1-CG2 4.33Å; Y925-I929 PolarHBondContact O-N 3.48Å; L926-I929 HydrophobicContact CD1-CG2 4.46Å; L926-I929 VanDerWaalsContact O-CG2 3.25Å; L926-I929 WeakPolarHBondContact O-CG2 3.13Å; I929-R931 PolarHBondContact O-N 3.14Å; I929-H932 PolarHBondContact O-N 2.93Å; I929-T933 HydrophobicContact CG1-CG2 3.96Å; I929-T933 VanDerWaalsContact O-CB 3.32Å; I929-T933 WeakPolarHBondContact O-CB 3.4Å; I929-T933 WeakPolarHBondContact O-CG2 3.44Å; I929-T933 PolarHBondContact O-N 3.17Å; I929-T933 PolarHBondContact O-OG1 3.48Å; I929-L955 HydrophobicContact CG2-CD1 4.49Å; I929-L969 HydrophobicContact CG2-CD2 4.16Å; I929-V984 HydrophobicContact CD1-CG1 4.34Å; I929-V984 HydrophobicContact CD1-CG2 3.96Å; I929-V1001 HydrophobicContact CD1-CB 4.5Å; I929-V1001 HydrophobicContact CD1-CG1 3.76Å; I929-V1001 HydrophobicContact CD1-CG2 3.94Å; I929-V1001 HydrophobicContact CG1-CG2 4.25Å
930T82.7Confident81.4Confident38 Ų3854.3 Ų54.323%0.23327%0.268CS..Hα-helixtrans-58.4-45.8174.1-55.80000111.2L926 Q928 N934 L935L926-T930 VanDerWaalsContact O-CB 3.29Å; L926-T930 WeakPolarHBondContact O-CB 3.38Å; L926-T930 PolarHBondContact O-N 2.97Å; L926-T930 PolarHBondContact O-OG1 3.22Å; Q928-T930 VanDerWaalsContact C-N 3.26Å; Q928-T930 PolarHBondContact O-N 3.29Å; T930-N934 PolarHBondContact O-N 2.78Å; T930-L935 WeakPolarHBondContact CG2-O 3.47Å
931R80.5Confident80.7Confident192 Ų19255.1 Ų55.173%0.72528%0.282SS*.Hα-helixtrans-64.6-39179.4-175.5179172.789.11.4113.6S927 Q928 I929S927-R931 WeakPolarHBondContact O-CB 3.44Å; S927-R931 PolarHBondContact O-N 2.66Å; Q928-R931 PolarHBondContact O-N 3.08Å; I929-R931 PolarHBondContact O-N 3.14Å
932H79.9Confident79.8Confident79 Ų7958.1 Ų58.137%0.36629%0.294SS..Hα-helixtrans-90-23.7-174.8-79.1-72.1000114.5Q928 I929 C1004Q928-H932 WeakPolarHBondContact O-CB 3.47Å; Q928-H932 PolarHBondContact O-CD2 2.75Å; Q928-H932 VanDerWaalsContact O-CD2 3.29Å; Q928-H932 PolarHBondContact O-N 3.26Å; I929-H932 PolarHBondContact O-N 2.93Å; H932-C1004 HydrophobicContact CB-CB 4.39Å
933T80.1Confident78.8Confident0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-100.7-2.5-179.262.40000113.4M887 I929 L935 M997 V1001M887-T933 VanDerWaalsContact CE-C 3.42Å; M887-T933 VanDerWaalsContact CE-O 3.28Å; M887-T933 WeakPolarHBondContact CE-O 3.43Å; I929-T933 HydrophobicContact CG1-CG2 3.96Å; I929-T933 VanDerWaalsContact O-CB 3.32Å; I929-T933 WeakPolarHBondContact O-CB 3.4Å; I929-T933 WeakPolarHBondContact O-CG2 3.44Å; I929-T933 PolarHBondContact O-N 3.17Å; I929-T933 PolarHBondContact O-OG1 3.48Å; T933-L935 PolarHBondContact O-N 3.47Å; T933-L935 WeakPolarHBondContact OG1-CB 3.37Å; T933-L935 WeakPolarHBondContact OG1-CD1 3.13Å; T933-L935 WeakPolarHBondContact OG1-CG 3.49Å; T933-L935 PolarHBondContact OG1-N 3.37Å; T933-M997 HydrophobicContact CG2-CE 4.46Å; T933-V1001 HydrophobicContact CG2-CG2 3.71Å
934N81.1Confident78Confident61 Ų6158.5 Ų58.533%0.32631%0.309SS..  trans52.817.4-173.1-64-25.7000113.9M887 I890 P892 T930M887-N934 HydrophobicContact CE-CB 4.35Å; M887-N934 PolarHBondContact O-ND2 2.82Å; I890-N934 WeakPolarHBondContact O-CB 3.46Å; I890-N934 PolarHBondContact O-ND2 2.62Å; P892-N934 WeakPolarHBondContact CA-O 3.33Å; P892-N934 VanDerWaalsContact CB-O 3.32Å; P892-N934 WeakPolarHBondContact CB-O 3.37Å; T930-N934 PolarHBondContact O-N 2.78Å
935L83Confident77Confident3 Ų360 Ų602%0.01632%0.323CS..PPolyproline II helixtrans-79.4132.1176-71.3169.4000109.2T930 T933 L955 A957 V965 A967 M997T930-L935 WeakPolarHBondContact CG2-O 3.47Å; T933-L935 PolarHBondContact O-N 3.47Å; T933-L935 WeakPolarHBondContact OG1-CB 3.37Å; T933-L935 WeakPolarHBondContact OG1-CD1 3.13Å; T933-L935 WeakPolarHBondContact OG1-CG 3.49Å; T933-L935 PolarHBondContact OG1-N 3.37Å; L935-L955 HydrophobicContact CB-CB 4.06Å; L935-L955 HydrophobicContact CB-CD1 4.38Å; L935-L955 HydrophobicContact CD1-CB 4.22Å; L935-L955 HydrophobicContact CD1-CD1 4.09Å; L935-A957 HydrophobicContact CD2-CB 3.6Å; L935-V965 HydrophobicContact CD2-CG1 4.29Å; L935-A967 HydrophobicContact CD1-CB 3.85Å; L935-M997 HydrophobicContact CD1-CE 4.03Å; L935-M997 HydrophobicContact CD2-CE 4.29Å; L935-M997 HydrophobicContact CG-CE 4.02Å
936R84.9Confident76Confident134 Ų13462.3 Ų62.351%0.50635%0.347SS..EExtended strand (participates in β ladder)trans-87.4135.7174.4-171.9167.7177.9169.6-0.9110.5P892 T894 L938 L955 Y956P892-R936 HydrophobicContact CB-CB 3.88Å; T894-R936 VanDerWaalsContact CG2-NH1 3.31Å; R936-L938 PolarHBondContact O-N 2.96Å; R936-L955 CarbonylContact O-C 3.56Å; R936-L955 VanDerWaalsContact O-CA 3.29Å; R936-L955 WeakPolarHBondContact O-CA 3.37Å; R936-Y956 PolarHBondContact N-O 2.91Å; R936-Y956 PolarHBondContact O-N 3.42Å
937C83Confident75.1Confident36 Ų3670 Ų7024%0.24339%0.388CS..EExtended strand (participates in β ladder)trans-71.7121.9170.1-174.40000110.8T939 V953 L955C937-T939 PolarHBondContact SG-O 3.04Å; C937-V953 HydrophobicContact CB-CG1 4.47Å; C937-V953 WeakPolarHBondContact SG-CG1 3.14Å; C937-L955 HydrophobicContact CB-CD2 3.96Å
938L78.7Confident74.5Confident42 Ų4270.3 Ų70.322%0.2239%0.389CS..  trans-93-21174.7-59.3-177000112.4T894 C895 F900 R936 T954 Y956T894-L938 HydrophobicContact CG2-CD2 4.45Å; C895-L938 VanDerWaalsContact SG-CD1 3.59Å; F900-L938 HydrophobicContact CD2-CD1 3.63Å; F900-L938 HydrophobicContact CE2-CD1 4.2Å; F900-L938 HydrophobicContact CG-CD1 4.42Å; R936-L938 PolarHBondContact O-N 2.96Å; L938-T954 PolarHBondContact N-O 3.19Å; L938-Y956 HydrophobicContact CD1-CG 4.39Å
939T77.7Confident74.4Confident26 Ų2672.1 Ų72.116%0.1640%0.401CS..SBendtrans-69.4126.4177.7-57.70000109.7C937 A943 L944 V953 T954C937-T939 PolarHBondContact SG-O 3.04Å; T939-A943 HydrophobicContact CG2-CB 3.99Å; T939-L944 HydrophobicContact CG2-CD2 4.47Å; T939-L944 HydrophobicContact CG2-CG 4.28Å; T939-V953 WeakPolarHBondContact OG1-CA 3.47Å; T939-T954 PolarHBondContact OG1-N 3.39Å; T939-T954 PolarHBondContact OG1-OG1 3.49Å
940P69.1Low74.3Confident54 Ų5478.8 Ų78.835%0.35143%0.426SS..  trans-64.3147.7-176.924.6-32.7000111.9E942 A943 L944P940-E942 PolarHBondContact O-N 2.93Å; P940-E942 VanDerWaalsContact O-N 3.15Å; P940-A943 HydrophobicContact CG-CB 3.98Å; P940-A943 PolarHBondContact O-N 3.43Å; P940-L944 PolarHBondContact O-N 3.08Å
941T65.2Low74.4Confident117 Ų11777.7 Ų77.772%0.71842%0.419SS*.THydrogen-bonded Turntrans-59.8-26.8-178.7-39.10000113.1L944 S945T941-L944 CarbonylContact O-C 3.52Å; T941-L944 WeakPolarHBondContact O-CA 3.33Å; T941-L944 WeakPolarHBondContact O-CB 3.01Å; T941-L944 PolarHBondContact O-N 3.44Å; T941-S945 PolarHBondContact O-N 3.35Å
942E62.8Low74.6Confident132 Ų13272.3 Ų72.362%0.61741%0.41SS*.THydrogen-bonded Turntrans-68.6-40.4175.5-66147.9-171.200111.8P940 L944 S945P940-E942 PolarHBondContact O-N 2.93Å; P940-E942 VanDerWaalsContact O-N 3.15Å; E942-L944 PolarHBondContact O-N 2.94Å; E942-S945 WeakPolarHBondContact O-CB 3.27Å; E942-S945 PolarHBondContact O-N 3.21Å; E942-S945 PolarHBondContact O-OG 3.39Å
943A62.4Low74.9Confident72 Ų7268.6 Ų68.660%0.59539%0.393SS*.THydrogen-bonded Turntrans-71.7-19.4173.300000112.3T939 P940 S945T939-A943 HydrophobicContact CG2-CB 3.99Å; P940-A943 HydrophobicContact CG-CB 3.98Å; P940-A943 PolarHBondContact O-N 3.43Å; A943-S945 VanDerWaalsContact C-N 3.32Å
944L64.7Low75.3Confident23 Ų2370.4 Ų70.412%0.1240%0.404CS..THydrogen-bonded Turntrans-84.8-6.7169.4-66.6167.8000111.7F923 L926 T939 P940 T941 E942 L951 V953F923-L944 HydrophobicContact CE1-CB 3.91Å; F923-L944 HydrophobicContact CE1-CD2 4.11Å; F923-L944 WeakPolarHBondContact CE1-O 3.36Å; F923-L944 WeakPolarHBondContact CZ-O 3.48Å; L926-L944 HydrophobicContact CD2-CD1 4.3Å; L926-L944 HydrophobicContact CD2-CD2 3.99Å; T939-L944 HydrophobicContact CG2-CD2 4.47Å; T939-L944 HydrophobicContact CG2-CG 4.28Å; P940-L944 PolarHBondContact O-N 3.08Å; T941-L944 CarbonylContact O-C 3.52Å; T941-L944 WeakPolarHBondContact O-CA 3.33Å; T941-L944 WeakPolarHBondContact O-CB 3.01Å; T941-L944 PolarHBondContact O-N 3.44Å; E942-L944 PolarHBondContact O-N 2.94Å; L944-L951 HydrophobicContact CD2-CD1 3.51Å; L944-V953 HydrophobicContact CD2-CG2 3.57Å
945S61.6Low75.8Confident92 Ų9267.5 Ų67.564%0.64339%0.388SS*.  trans-88.8128-179.875.90000110.7T941 E942 A943T941-S945 PolarHBondContact O-N 3.35Å; E942-S945 WeakPolarHBondContact O-CB 3.27Å; E942-S945 PolarHBondContact O-N 3.21Å; E942-S945 PolarHBondContact O-OG 3.39Å; A943-S945 VanDerWaalsContact C-N 3.32Å
946G63.4Low76.1Confident51 Ų5167.9 Ų67.953%0.52639%0.39SS..SBendtrans140.4155.4-178.400000112
947D66.2Low76.2Confident173 Ų17361.5 Ų61.593%0.92537%0.366SS*.  trans-94.594.6170.8-157.311.3000106.9
948C69.3Low76.1Confident83 Ų8363.7 Ų63.756%0.56137%0.371SS*.  trans-128.5139.7-177.5-740000109.5L922 Y950L922-C948 WeakPolarHBondContact CD1-O 3.5Å; C948-Y950 PolarHBondContact O-N 2.99Å
949D80.8Confident76.1Confident95 Ų9561.9 Ų61.951%0.50836%0.362SS..SBendtrans-72.8-6.9178.2-63.3-37.2000112.9E972 K973D949-E972 CarbonylContact O-C 3.52Å; D949-E972 WeakPolarHBondContact O-CA 3.3Å; D949-K973 PolarHBondContact O-N 3.17Å
950Y83.9Confident75.7Confident151 Ų15163.3 Ų63.359%0.59237%0.368SS*.EExtended strand (participates in β ladder)trans-128.9139.7-177.4-58-92000111.1C948 L971 E972C948-Y950 PolarHBondContact O-N 2.99Å; Y950-L971 CarbonylContact C-O 3.53Å; Y950-L971 WeakPolarHBondContact CA-O 3.47Å; Y950-E972 HydrophobicContact CD1-CB 3.83Å; Y950-E972 HydrophobicContact CD1-CG 3.8Å; Y950-E972 HydrophobicContact CE1-CB 3.89Å; Y950-E972 HydrophobicContact CE1-CG 3.37Å; Y950-E972 WeakPolarHBondContact CE1-OE1 3.27Å; Y950-E972 VanDerWaalsContact CZ-OE1 3.32Å; Y950-E972 PolarHBondContact OH-OE1 3.01Å
951L84.2Confident75.7Confident15 Ų1563.6 Ų63.68%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-133.1120.4177.7-179.262000110.6L922 F923 L926 L944 V953 C970 L971L922-L951 HydrophobicContact CB-CB 4.27Å; L922-L951 HydrophobicContact CB-CD2 3.85Å; L922-L951 HydrophobicContact CD1-CB 4.13Å; L922-L951 HydrophobicContact CD2-CB 4.47Å; F923-L951 HydrophobicContact CE1-CD1 4.36Å; F923-L951 HydrophobicContact CE1-CD2 4.46Å; L926-L951 HydrophobicContact CB-CD2 4.43Å; L926-L951 HydrophobicContact CD2-CD2 4.48Å; L944-L951 HydrophobicContact CD2-CD1 3.51Å; L951-V953 HydrophobicContact CD1-CG2 3.71Å; L951-V953 HydrophobicContact CD2-CG2 4.27Å; L951-V953 HydrophobicContact CG-CG2 3.78Å; L951-C970 CarbonylContact O-C 3.57Å; L951-C970 WeakPolarHBondContact O-CA 3.45Å; L951-L971 HydrophobicContact CB-CB 4.26Å; L951-L971 HydrophobicContact CD2-CD1 4.29Å; L951-L971 PolarHBondContact N-O 2.87Å; L951-L971 PolarHBondContact O-N 3.28Å
952C84.7Confident75.9Confident80 Ų8059.4 Ų59.454%0.54134%0.344SS..EExtended strand (participates in β ladder)trans-120.8117.4176.5-172.60000110L969C952-L969 CarbonylContact C-O 3.53Å; C952-L969 VanDerWaalsContact CA-O 3.28Å; C952-L969 WeakPolarHBondContact CA-O 3.49Å
953V86.2Confident76.7Confident0 Ų055.5 Ų55.50%033%0.326CS..EExtended strand (participates in β ladder)trans-132.2136.8-170.8179.20000111.5L926 C937 T939 L944 L951 L955 N968 L969L926-V953 HydrophobicContact CD1-CB 4.34Å; L926-V953 HydrophobicContact CD1-CG1 3.88Å; L926-V953 HydrophobicContact CD1-CG2 4.46Å; L926-V953 HydrophobicContact CD2-CG1 4.49Å; L926-V953 HydrophobicContact CD2-CG2 4.18Å; C937-V953 HydrophobicContact CB-CG1 4.47Å; C937-V953 WeakPolarHBondContact SG-CG1 3.14Å; T939-V953 WeakPolarHBondContact OG1-CA 3.47Å; L944-V953 HydrophobicContact CD2-CG2 3.57Å; L951-V953 HydrophobicContact CD1-CG2 3.71Å; L951-V953 HydrophobicContact CD2-CG2 4.27Å; L951-V953 HydrophobicContact CG-CG2 3.78Å; V953-L955 HydrophobicContact CG1-CD2 3.86Å; V953-L955 HydrophobicContact CG1-CG 4.33Å; V953-N968 WeakPolarHBondContact O-CA 3.15Å; V953-N968 PolarHBondContact O-OD1 3.29Å; V953-L969 HydrophobicContact CB-CB 4.27Å; V953-L969 HydrophobicContact CB-CD2 4.46Å; V953-L969 PolarHBondContact N-O 3.29Å; V953-L969 PolarHBondContact O-N 2.99Å
954T89.4Confident77.8Confident39 Ų3954.7 Ų54.724%0.23931%0.309CS..EExtended strand (participates in β ladder)trans-98.4131.2173.954.10000110.3F900 L938 T939F900-T954 HydrophobicContact CE1-CG2 3.89Å; F900-T954 HydrophobicContact CZ-CG2 3.97Å; L938-T954 PolarHBondContact N-O 3.19Å; T939-T954 PolarHBondContact OG1-N 3.39Å; T939-T954 PolarHBondContact OG1-OG1 3.49Å
955L89.6Confident78.9Confident0 Ų053.6 Ų53.60%030%0.303CS..EExtended strand (participates in β ladder)trans-126.5142.6-173-65-176.7000109.6L926 I929 L935 R936 C937 V953 A967 L969L926-L955 HydrophobicContact CD1-CD2 4.09Å; I929-L955 HydrophobicContact CG2-CD1 4.49Å; L935-L955 HydrophobicContact CB-CB 4.06Å; L935-L955 HydrophobicContact CB-CD1 4.38Å; L935-L955 HydrophobicContact CD1-CB 4.22Å; L935-L955 HydrophobicContact CD1-CD1 4.09Å; R936-L955 CarbonylContact O-C 3.56Å; R936-L955 VanDerWaalsContact O-CA 3.29Å; R936-L955 WeakPolarHBondContact O-CA 3.37Å; C937-L955 HydrophobicContact CB-CD2 3.96Å; V953-L955 HydrophobicContact CG1-CD2 3.86Å; V953-L955 HydrophobicContact CG1-CG 4.33Å; L955-A967 HydrophobicContact CB-CB 3.97Å; L955-A967 HydrophobicContact CD1-CB 4.45Å; L955-A967 PolarHBondContact N-O 3.24Å; L955-A967 PolarHBondContact O-N 3.42Å; L955-L969 HydrophobicContact CD1-CB 4.39Å
956Y90Very high80.3Confident10 Ų1049.2 Ų49.24%0.03927%0.273CS..EExtended strand (participates in β ladder)trans-147.7141.7-177.4174.3-122.4000113.3A893 C895 M903 R936 L938 H964 V965 L966A893-Y956 VanDerWaalsContact C-CD1 3.44Å; A893-Y956 HydrophobicContact CB-CD1 3.82Å; A893-Y956 HydrophobicContact CB-CE1 3.4Å; A893-Y956 VanDerWaalsContact O-CD1 3.28Å; A893-Y956 WeakPolarHBondContact O-CD1 3.48Å; C895-Y956 HydrophobicContact CB-CD1 4.01Å; C895-Y956 HydrophobicContact CB-CE1 3.72Å; M903-Y956 HydrophobicContact CE-CE2 4.2Å; R936-Y956 PolarHBondContact N-O 2.91Å; R936-Y956 PolarHBondContact O-N 3.42Å; L938-Y956 HydrophobicContact CD1-CG 4.39Å; Y956-H964 HydrophobicContact CE2-CB 4.2Å; Y956-H964 AromaticContact CE2-ND1 3.82Å; Y956-H964 AromaticContact CZ-ND1 3.71Å; Y956-H964 PolarHBondContact OH-CE1 2.89Å; Y956-H964 PolarHBondContact OH-ND1 3.46Å; Y956-V965 WeakPolarHBondContact CA-O 3.27Å; Y956-V965 VanDerWaalsContact CD2-O 3.25Å; Y956-V965 WeakPolarHBondContact CD2-O 3.48Å; Y956-L966 HydrophobicContact CD2-CD2 3.44Å; Y956-L966 VanDerWaalsContact CD2-CD2 3.44Å; Y956-L966 HydrophobicContact CD2-CG 4.48Å; Y956-L966 HydrophobicContact CE2-CD2 4Å; Y956-L966 HydrophobicContact CG-CD2 4.25Å
957A87Confident81.6Confident0 Ų046.8 Ų46.80%025%0.248CC..EExtended strand (participates in β ladder)trans-145163.8171.200000111.4I890 M891 L935 V965I890-A957 HydrophobicContact CG2-CB 3.56Å; M891-A957 WeakPolarHBondContact O-CA 3.45Å; M891-A957 WeakPolarHBondContact O-CB 3.43Å; L935-A957 HydrophobicContact CD2-CB 3.6Å; A957-V965 PolarHBondContact N-O 3.29Å; A957-V965 PolarHBondContact O-N 3.05Å
958K82.1Confident82.8Confident82 Ų8240.1 Ų40.136%0.35721%0.212SC..EExtended strand (participates in β ladder)trans-130.7138.3176.6-169.3171177.1166.90109.9M891 A893 G962 E963M891-K958 PolarHBondContact N-O 2.93Å; M891-K958 PolarHBondContact O-N 3.48Å; M891-K958 VanDerWaalsContact O-O 3.11Å; A893-K958 HydrophobicContact CB-CB 3.71Å; K958-G962 VanDerWaalsContact CE-O 3.29Å; K958-G962 WeakPolarHBondContact CE-O 3.49Å; K958-E963 CarbonylContact C-O 3.54Å; K958-E963 VanDerWaalsContact CA-O 3.29Å; K958-E963 WeakPolarHBondContact CA-O 3.31Å; K958-E963 WeakPolarHBondContact CG-O 3.16Å
959T76.9Confident83.8Confident4 Ų436.2 Ų36.23%0.02519%0.186CC..EExtended strand (participates in β ladder)trans-76.8160174.270.30000110.9Y889 I890 F961 G962 E963 M993Y889-T959 CarbonylContact O-C 3.56Å; Y889-T959 VanDerWaalsContact O-CA 3.25Å; Y889-T959 WeakPolarHBondContact O-CA 3.42Å; I890-T959 HydrophobicContact CG1-CG2 4.32Å; T959-F961 PolarHBondContact O-N 3.38Å; T959-F961 WeakPolarHBondContact OG1-CB 3.23Å; T959-F961 PolarHBondContact OG1-N 3.26Å; T959-G962 PolarHBondContact O-N 3.43Å; T959-G962 PolarHBondContact OG1-N 3.3Å; T959-E963 HydrophobicContact CG2-CB 4.11Å; T959-E963 PolarHBondContact N-O 3.41Å; T959-E963 WeakPolarHBondContact OG1-CB 3.44Å; T959-E963 PolarHBondContact OG1-N 2.66Å; T959-M993 HydrophobicContact CG2-CE 3.14Å; T959-M993 HydrophobicContact CG2-SD 4.15Å
960I70Confident84.2Confident57 Ų5734 Ų3429%0.29218%0.178SC..THydrogen-bonded Turntrans-59.4-23.9168.657.8147.9000112.9Q796 Y889 M891 G962Q796-I960 HydrophobicContact CB-CD1 4.01Å; Q796-I960 HydrophobicContact CG-CD1 3.8Å; Y889-I960 HydrophobicContact CD1-CD1 3.27Å; Y889-I960 HydrophobicContact CD1-CG1 3.6Å; Y889-I960 HydrophobicContact CE1-CD1 3.94Å; Y889-I960 HydrophobicContact CG-CD1 4.1Å; Y889-I960 HydrophobicContact CG-CG1 4.02Å; Y889-I960 PolarHBondContact O-N 3.37Å; M891-I960 HydrophobicContact CE-CG2 4.03Å; I960-G962 PolarHBondContact O-N 3.05Å
961F68.5Low84.4Confident59 Ų5927.1 Ų27.126%0.25915%0.151SC..THydrogen-bonded Turntrans-77.4-6.4175.5-55.9-75.2000113Q796 F797 V851 T854 Y889 T959Q796-F961 WeakPolarHBondContact O-CE1 3.48Å; Q796-F961 WeakPolarHBondContact O-CZ 3.47Å; F797-F961 HydrophobicContact CD1-CD1 4.34Å; F797-F961 HydrophobicContact CD1-CE1 4.01Å; F797-F961 AromaticContact CE1-CD1 3.88Å; F797-F961 HydrophobicContact CE1-CD1 3.88Å; F797-F961 AromaticContact CE1-CE1 3.99Å; F797-F961 HydrophobicContact CE1-CE1 3.99Å; V851-F961 HydrophobicContact CG1-CZ 4.42Å; T854-F961 HydrophobicContact CG2-CD2 3.46Å; T854-F961 VanDerWaalsContact CG2-CD2 3.46Å; T854-F961 HydrophobicContact CG2-CE2 3.92Å; T854-F961 HydrophobicContact CG2-CG 4.18Å; Y889-F961 HydrophobicContact CG-CE2 4.23Å; T959-F961 PolarHBondContact O-N 3.38Å; T959-F961 WeakPolarHBondContact OG1-CB 3.23Å; T959-F961 PolarHBondContact OG1-N 3.26Å
962G70.1Confident84.6Confident29 Ų2929.9 Ų29.930%0.29916%0.163SC..SBendtrans89.37.5179.800000114.6K958 T959 I960K958-G962 VanDerWaalsContact CE-O 3.29Å; K958-G962 WeakPolarHBondContact CE-O 3.49Å; T959-G962 PolarHBondContact O-N 3.43Å; T959-G962 PolarHBondContact OG1-N 3.3Å; I960-G962 PolarHBondContact O-N 3.05Å
963E79Confident84.5Confident51 Ų5128.4 Ų28.424%0.23815%0.148CC..  trans-83148.7178.1-60.7-172.2139.800111.9T854 K958 T959 M993T854-E963 WeakPolarHBondContact CG2-OE2 3.34Å; T854-E963 PolarHBondContact OG1-OE2 2.86Å; K958-E963 CarbonylContact C-O 3.54Å; K958-E963 VanDerWaalsContact CA-O 3.29Å; K958-E963 WeakPolarHBondContact CA-O 3.31Å; K958-E963 WeakPolarHBondContact CG-O 3.16Å; T959-E963 HydrophobicContact CG2-CB 4.11Å; T959-E963 PolarHBondContact N-O 3.41Å; T959-E963 WeakPolarHBondContact OG1-CB 3.44Å; T959-E963 PolarHBondContact OG1-N 2.66Å; E963-M993 HydrophobicContact CB-SD 3.83Å
964H85.9Confident83.9Confident54 Ų5431.6 Ų31.625%0.2517%0.174CC..EExtended strand (participates in β ladder)trans-107.2133.9-169.3-63.7-84000110.8M903 F907 Y956M903-H964 HydrophobicContact SD-CB 4.28Å; F907-H964 HydrophobicContact CE2-CB 3.84Å; F907-H964 WeakPolarHBondContact CE2-O 3.48Å; F907-H964 HydrophobicContact CZ-CB 3.45Å; F907-H964 VanDerWaalsContact CZ-CB 3.45Å; Y956-H964 HydrophobicContact CE2-CB 4.2Å; Y956-H964 AromaticContact CE2-ND1 3.82Å; Y956-H964 AromaticContact CZ-ND1 3.71Å; Y956-H964 PolarHBondContact OH-CE1 2.89Å; Y956-H964 PolarHBondContact OH-ND1 3.46Å
965V88.2Confident83.3Confident0 Ų035.5 Ų35.50%019%0.189CC..EExtended strand (participates in β ladder)trans-123.3121.7175.7-174.60000109.4L935 Y956 A957 I986 M993 M997L935-V965 HydrophobicContact CD2-CG1 4.29Å; Y956-V965 WeakPolarHBondContact CA-O 3.27Å; Y956-V965 VanDerWaalsContact CD2-O 3.25Å; Y956-V965 WeakPolarHBondContact CD2-O 3.48Å; A957-V965 PolarHBondContact N-O 3.29Å; A957-V965 PolarHBondContact O-N 3.05Å; V965-I986 HydrophobicContact CG1-CG2 3.93Å; V965-M993 HydrophobicContact CG2-CE 3.09Å; V965-M993 HydrophobicContact CG2-SD 4.25Å; V965-M997 HydrophobicContact CG1-CE 4.45Å; V965-M997 HydrophobicContact CG1-CG 4.08Å
966L91.4Very high82.2Confident0 Ų039.6 Ų39.60%022%0.223CC..EExtended strand (participates in β ladder)trans-110141.6176.6-53.6165.9000108.8F900 M903 W904 F907 Y956 I986 R987F900-L966 HydrophobicContact CD2-CD2 3.4Å; F900-L966 HydrophobicContact CD2-CG 4.48Å; F900-L966 HydrophobicContact CE2-CB 3.9Å; F900-L966 HydrophobicContact CE2-CD2 3.42Å; F900-L966 VanDerWaalsContact CE2-CD2 3.42Å; F900-L966 HydrophobicContact CE2-CG 4.16Å; F900-L966 HydrophobicContact CG-CD2 4.26Å; F900-L966 HydrophobicContact CZ-CB 4.1Å; F900-L966 HydrophobicContact CZ-CD2 4.29Å; M903-L966 HydrophobicContact CB-CD1 3.69Å; M903-L966 HydrophobicContact CE-CD2 4.05Å; W904-L966 HydrophobicContact CB-CD1 4.1Å; W904-L966 HydrophobicContact CE3-CB 3.64Å; W904-L966 HydrophobicContact CE3-CD1 4Å; W904-L966 HydrophobicContact CE3-CG 4.46Å; W904-L966 HydrophobicContact CZ3-CB 3.78Å; F907-L966 HydrophobicContact CD2-CD1 3.59Å; F907-L966 HydrophobicContact CD2-CG 4.08Å; F907-L966 HydrophobicContact CE2-CD1 3.47Å; F907-L966 VanDerWaalsContact CE2-CD1 3.47Å; F907-L966 HydrophobicContact CE2-CG 3.68Å; F907-L966 HydrophobicContact CG-CD1 4.43Å; F907-L966 HydrophobicContact CZ-CD1 4.21Å; Y956-L966 HydrophobicContact CD2-CD2 3.44Å; Y956-L966 VanDerWaalsContact CD2-CD2 3.44Å; Y956-L966 HydrophobicContact CD2-CG 4.48Å; Y956-L966 HydrophobicContact CE2-CD2 4Å; Y956-L966 HydrophobicContact CG-CD2 4.25Å; L966-I986 CarbonylContact O-C 3.59Å; L966-I986 WeakPolarHBondContact O-CA 3.43Å; L966-R987 PolarHBondContact N-O 3.08Å; L966-R987 PolarHBondContact O-N 2.87Å
967A90.5Very high81.3Confident0 Ų044.7 Ų44.70%025%0.251CS..EExtended strand (participates in β ladder)trans-136.1145.616900000111.4L935 L955 R985 I986L935-A967 HydrophobicContact CD1-CB 3.85Å; L955-A967 HydrophobicContact CB-CB 3.97Å; L955-A967 HydrophobicContact CD1-CB 4.45Å; L955-A967 PolarHBondContact N-O 3.24Å; L955-A967 PolarHBondContact O-N 3.42Å; A967-R985 CarbonylContact C-O 3.56Å; A967-R985 WeakPolarHBondContact CA-O 3.45Å; A967-I986 HydrophobicContact CB-CG1 4.03Å
968N91.3Very high80.9Confident34 Ų3449 Ų4918%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-121.5118.2173.9-173.1-16.1000108W904 V953 V984 R985W904-N968 HydrophobicContact CH2-CB 3.53Å; W904-N968 HydrophobicContact CZ2-CB 4.09Å; W904-N968 HydrophobicContact CZ3-CB 4.07Å; V953-N968 WeakPolarHBondContact O-CA 3.15Å; V953-N968 PolarHBondContact O-OD1 3.29Å; N968-V984 WeakPolarHBondContact O-CA 3.35Å; N968-R985 HydrophobicContact CB-CB 4.44Å; N968-R985 PolarHBondContact N-O 3.27Å; N968-R985 PolarHBondContact O-N 2.93Å
969L90.4Very high80.8Confident0 Ų047.1 Ų47.10%027%0.267CS..EExtended strand (participates in β ladder)trans-102.8112.5-177.4172.965000108.7Y925 L926 I929 C952 V953 L955 L971 V984Y925-L969 HydrophobicContact CD1-CD1 4.17Å; Y925-L969 HydrophobicContact CD1-CD2 4.37Å; Y925-L969 HydrophobicContact CE1-CD1 3.72Å; L926-L969 HydrophobicContact CB-CD2 4.32Å; L926-L969 HydrophobicContact CD1-CD2 3.65Å; I929-L969 HydrophobicContact CG2-CD2 4.16Å; C952-L969 CarbonylContact C-O 3.53Å; C952-L969 VanDerWaalsContact CA-O 3.28Å; C952-L969 WeakPolarHBondContact CA-O 3.49Å; V953-L969 HydrophobicContact CB-CB 4.27Å; V953-L969 HydrophobicContact CB-CD2 4.46Å; V953-L969 PolarHBondContact N-O 3.29Å; V953-L969 PolarHBondContact O-N 2.99Å; L955-L969 HydrophobicContact CD1-CB 4.39Å; L969-L971 HydrophobicContact CD1-CD1 4.09Å; L969-L971 HydrophobicContact CD1-CD2 3.65Å; L969-L971 HydrophobicContact CD1-CG 3.73Å; L969-L971 HydrophobicContact CD2-CD1 4.11Å; L969-L971 HydrophobicContact CD2-CG 4.46Å; L969-L971 HydrophobicContact CG-CD1 4.14Å; L969-L971 HydrophobicContact CG-CD2 4.41Å; L969-L971 HydrophobicContact CG-CG 3.94Å; L969-V984 HydrophobicContact CD1-CG2 3.61Å
970C89.9Confident81.1Confident50 Ų5047 Ų4734%0.33827%0.267SS..EExtended strand (participates in β ladder)trans-113.5114.6173.7-61.20000109.3L951 G982 H983L951-C970 CarbonylContact O-C 3.57Å; L951-C970 WeakPolarHBondContact O-CA 3.45Å; C970-G982 CarbonylContact O-C 3.59Å; C970-G982 VanDerWaalsContact O-CA 3.25Å; C970-G982 WeakPolarHBondContact O-CA 3.27Å; C970-H983 PolarHBondContact N-O 3.4Å; C970-H983 PolarHBondContact O-N 3.01Å
971L88.1Confident81.8Confident5 Ų547.1 Ų47.13%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-119.5147.5179-57.4176.6000110.5V915 L922 Y925 Y950 L951 L969 V980 T981V915-L971 HydrophobicContact CB-CD2 4.24Å; V915-L971 HydrophobicContact CG1-CD2 4.07Å; V915-L971 HydrophobicContact CG2-CD2 3.77Å; L922-L971 HydrophobicContact CD2-CB 3.56Å; L922-L971 HydrophobicContact CD2-CD1 4.23Å; Y925-L971 HydrophobicContact CD1-CD1 3.52Å; Y925-L971 HydrophobicContact CD1-CD2 4.03Å; Y925-L971 HydrophobicContact CD1-CG 4.37Å; Y925-L971 HydrophobicContact CE1-CD1 4.3Å; Y925-L971 HydrophobicContact CE1-CD2 4.05Å; Y925-L971 HydrophobicContact CG-CD1 3.95Å; Y950-L971 CarbonylContact C-O 3.53Å; Y950-L971 WeakPolarHBondContact CA-O 3.47Å; L951-L971 HydrophobicContact CB-CB 4.26Å; L951-L971 HydrophobicContact CD2-CD1 4.29Å; L951-L971 PolarHBondContact N-O 2.87Å; L951-L971 PolarHBondContact O-N 3.28Å; L969-L971 HydrophobicContact CD1-CD1 4.09Å; L969-L971 HydrophobicContact CD1-CD2 3.65Å; L969-L971 HydrophobicContact CD1-CG 3.73Å; L969-L971 HydrophobicContact CD2-CD1 4.11Å; L969-L971 HydrophobicContact CD2-CG 4.46Å; L969-L971 HydrophobicContact CG-CD1 4.14Å; L969-L971 HydrophobicContact CG-CD2 4.41Å; L969-L971 HydrophobicContact CG-CG 3.94Å; L971-V980 HydrophobicContact CB-CG1 3.8Å; L971-V980 HydrophobicContact CD1-CG1 4.12Å; L971-V980 HydrophobicContact CD2-CG1 3.85Å; L971-V980 HydrophobicContact CG-CG1 4.14Å; L971-T981 CarbonylContact C-O 3.52Å; L971-T981 WeakPolarHBondContact CA-O 3.35Å
972E86.7Confident82.7Confident73 Ų7344.9 Ų44.934%0.34126%0.264SS..EExtended strand (participates in β ladder)trans-137.5138177.9171.9173-160.600109.4D949 Y950 T981D949-E972 CarbonylContact O-C 3.52Å; D949-E972 WeakPolarHBondContact O-CA 3.3Å; Y950-E972 HydrophobicContact CD1-CB 3.83Å; Y950-E972 HydrophobicContact CD1-CG 3.8Å; Y950-E972 HydrophobicContact CE1-CB 3.89Å; Y950-E972 HydrophobicContact CE1-CG 3.37Å; Y950-E972 WeakPolarHBondContact CE1-OE1 3.27Å; Y950-E972 VanDerWaalsContact CZ-OE1 3.32Å; Y950-E972 PolarHBondContact OH-OE1 3.01Å; E972-T981 PolarHBondContact N-O 3.18Å; E972-T981 PolarHBondContact O-N 3.42Å; E972-T981 VanDerWaalsContact O-O 3.07Å; E972-T981 PolarHBondContact O-OG1 2.98Å
973K82.4Confident83.7Confident50 Ų5046.8 Ų46.822%0.21727%0.265CS..  trans-110.3100.7172.5-172.8177.6-174.8-178.50108.4K920 L922 D949 E975 A976K920-K973 WeakPolarHBondContact O-CE 3.34Å; K920-K973 PolarHBondContact O-NZ 2.79Å; L922-K973 HydrophobicContact CD2-CB 4.5Å; D949-K973 PolarHBondContact O-N 3.17Å; K973-E975 WeakPolarHBondContact CE-O 3.48Å; K973-E975 WeakPolarHBondContact CG-O 3.48Å; K973-A976 WeakPolarHBondContact CE-O 3.42Å; K973-A976 PolarHBondContact NZ-O 3.07Å
974A75.4Confident84.3Confident66 Ų6644.4 Ų44.455%0.54525%0.254SS..SBendtrans-67.4-38.1-176.900000113.2
975E75.1Confident84.6Confident122 Ų12247 Ų4757%0.5726%0.262SS*.SBendtrans-144.7157.3178.4-64.7-179.8159.900110.7K973 D977 Q978K973-E975 WeakPolarHBondContact CE-O 3.48Å; K973-E975 WeakPolarHBondContact CG-O 3.48Å; E975-D977 PolarHBondContact O-N 3.09Å; E975-Q978 HydrophobicContact CB-CB 4.32Å; E975-Q978 HydrophobicContact CB-CG 4.11Å; E975-Q978 PolarHBondContact O-N 3.14Å; E975-Q978 PolarHBondContact OE2-NE2 2.96Å; E975-Q978 VanDerWaalsContact OE2-NE2 3.09Å
976A68.3Low84.8Confident85 Ų8547 Ų4770%0.70226%0.262SS*.THydrogen-bonded Turntrans-54.9-32.1-173.100000114.7K973K973-A976 WeakPolarHBondContact CE-O 3.42Å; K973-A976 PolarHBondContact NZ-O 3.07Å
977D71.1Confident84.8Confident117 Ų11749.7 Ų49.763%0.62627%0.272SS*.THydrogen-bonded Turntrans-110.5-1-173.9-152.428000114.1K920 E975K920-D977 WeakPolarHBondContact CE-O 3.36Å; K920-D977 IonicContact NZ-OD1 3.9Å; K920-D977 PolarHBondContact NZ-OD1 3.48Å; K920-D977 IonicContact NZ-OD2 3.98Å; E975-D977 PolarHBondContact O-N 3.09Å
978Q77.6Confident84.7Confident90 Ų9049.7 Ų49.742%0.42127%0.272SS..SBendtrans-84.9151.3177.2-74.7-149.322.900112.2E975E975-Q978 HydrophobicContact CB-CB 4.32Å; E975-Q978 HydrophobicContact CB-CG 4.11Å; E975-Q978 PolarHBondContact O-N 3.14Å; E975-Q978 PolarHBondContact OE2-NE2 2.96Å; E975-Q978 VanDerWaalsContact OE2-NE2 3.09Å
979P79.9Confident84.4Confident43 Ų4355.3 Ų55.328%0.27929%0.294SS..PPolyproline II helixtrans-62.2150.6173.726-33.1000111.1T917 I919 T981T917-P979 WeakPolarHBondContact O-CB 3.36Å; I919-P979 WeakPolarHBondContact O-CA 3.36Å; P979-T981 PolarHBondContact O-N 3.15Å
980V82.7Confident84Confident2 Ų257 Ų571%0.01231%0.305CS..PPolyproline II helixtrans-61.8133.1174.4173.50000109.7T917 I919 L922 L971T917-V980 HydrophobicContact CG2-CB 4.22Å; T917-V980 WeakPolarHBondContact CG2-O 3.47Å; I919-V980 WeakPolarHBondContact O-CG2 3.27Å; I919-V980 PolarHBondContact O-N 3.4Å; L922-V980 HydrophobicContact CD2-CB 4.24Å; L922-V980 HydrophobicContact CD2-CG1 3.52Å; L922-V980 HydrophobicContact CD2-CG2 3.66Å; L922-V980 HydrophobicContact CG-CG2 4.24Å; L971-V980 HydrophobicContact CB-CG1 3.8Å; L971-V980 HydrophobicContact CD1-CG1 4.12Å; L971-V980 HydrophobicContact CD2-CG1 3.85Å; L971-V980 HydrophobicContact CG-CG1 4.14Å
981T84.4Confident83.6Confident59 Ų5959.3 Ų59.336%0.36231%0.311SS..EExtended strand (participates in β ladder)trans-116161.4174.9640000109.9L971 E972 P979L971-T981 CarbonylContact C-O 3.52Å; L971-T981 WeakPolarHBondContact CA-O 3.35Å; E972-T981 PolarHBondContact N-O 3.18Å; E972-T981 PolarHBondContact O-N 3.42Å; E972-T981 VanDerWaalsContact O-O 3.07Å; E972-T981 PolarHBondContact O-OG1 2.98Å; P979-T981 PolarHBondContact O-N 3.15Å
982G87.6Confident83.1Confident13 Ų1359.4 Ų59.413%0.13431%0.313CS..EExtended strand (participates in β ladder)trans153.6-162.2177.400000113.8V915 C970V915-G982 PolarHBondContact N-O 2.96Å; C970-G982 CarbonylContact O-C 3.59Å; C970-G982 VanDerWaalsContact O-CA 3.25Å; C970-G982 WeakPolarHBondContact O-CA 3.27Å
983H91.2Very high82.8Confident68 Ų6856.1 Ų56.132%0.31530%0.297SS..EExtended strand (participates in β ladder)trans-142.3141.2-179.5-55.5-70.9000112K912 V913 T914 C970K912-H983 VanDerWaalsContact CE-CD2 3.46Å; K912-H983 WeakPolarHBondContact CE-CD2 3.29Å; K912-H983 WeakPolarHBondContact CE-ND1 3.38Å; K912-H983 HydrophobicContact CG-CB 4.28Å; K912-H983 PolarHBondContact NZ-CD2 3.49Å; K912-H983 PolarHBondContact NZ-NE2 3.41Å; V913-H983 CarbonylContact O-C 3.57Å; V913-H983 VanDerWaalsContact O-CA 3.31Å; V913-H983 WeakPolarHBondContact O-CA 3.29Å; T914-H983 PolarHBondContact OG1-ND1 2.7Å; C970-H983 PolarHBondContact N-O 3.4Å; C970-H983 PolarHBondContact O-N 3.01Å
984V91.4Very high82.9Confident1 Ų153.9 Ų53.91%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-105.2119.8168.4-165.70000107.9V913 V915 I929 N968 L969 I986 V1001V913-V984 HydrophobicContact CB-CB 4.5Å; V913-V984 PolarHBondContact N-O 3.47Å; V913-V984 PolarHBondContact O-N 3.39Å; V915-V984 HydrophobicContact CG2-CG2 3.73Å; I929-V984 HydrophobicContact CD1-CG1 4.34Å; I929-V984 HydrophobicContact CD1-CG2 3.96Å; N968-V984 WeakPolarHBondContact O-CA 3.35Å; L969-V984 HydrophobicContact CD1-CG2 3.61Å; V984-I986 HydrophobicContact CG1-CG1 4.09Å; V984-V1001 HydrophobicContact CB-CG1 4.28Å; V984-V1001 HydrophobicContact CG2-CG1 3.98Å
985R93.5Very high83.3Confident110 Ų11053.3 Ų53.342%0.41528%0.278SS..EExtended strand (participates in β ladder)trans-102.4120.2174.3-74177.5145.31554.3109W904 E910 K912 A967 N968W904-R985 HydrophobicContact CH2-CB 4.09Å; W904-R985 HydrophobicContact CZ2-CB 4.38Å; E910-R985 VanDerWaalsContact OE1-CD 3.28Å; E910-R985 WeakPolarHBondContact OE1-CD 3.44Å; E910-R985 WeakPolarHBondContact OE1-CG 3.48Å; E910-R985 IonicContact OE1-CZ 3.1Å; E910-R985 IonicContact OE1-NE 2.71Å; E910-R985 PolarHBondContact OE1-NE 2.97Å; K912-R985 HydrophobicContact CB-CG 4.41Å; K912-R985 HydrophobicContact CG-CG 4.08Å; A967-R985 CarbonylContact C-O 3.56Å; A967-R985 WeakPolarHBondContact CA-O 3.45Å; N968-R985 HydrophobicContact CB-CB 4.44Å; N968-R985 PolarHBondContact N-O 3.27Å; N968-R985 PolarHBondContact O-N 2.93Å
986I92.1Very high83.6Confident0 Ų047.9 Ų47.90%025%0.253CS..EExtended strand (participates in β ladder)trans-113.4129.6-179.6-53.3175.8000107.9E910 N911 V965 L966 A967 V984 M997 V1001E910-I986 CarbonylContact C-O 3.51Å; E910-I986 WeakPolarHBondContact CA-O 3.28Å; N911-I986 PolarHBondContact N-O 2.92Å; N911-I986 PolarHBondContact O-N 2.91Å; V965-I986 HydrophobicContact CG1-CG2 3.93Å; L966-I986 CarbonylContact O-C 3.59Å; L966-I986 WeakPolarHBondContact O-CA 3.43Å; A967-I986 HydrophobicContact CB-CG1 4.03Å; V984-I986 HydrophobicContact CG1-CG1 4.09Å; I986-M997 HydrophobicContact CD1-CB 3.86Å; I986-M997 HydrophobicContact CG2-CB 3.92Å; I986-V1001 HydrophobicContact CD1-CG2 3.95Å
987R92Very high84.4Confident56 Ų5643.9 Ų43.921%0.21122%0.22CC..EExtended strand (participates in β ladder)trans-121.9138.2175.6-70.8-166.2174.1-160-8.3111.3W904 F907 W909 E910 L966W904-R987 HydrophobicContact CE3-CB 4.32Å; W904-R987 HydrophobicContact CE3-CG 4.42Å; W904-R987 HydrophobicContact CH2-CB 4.47Å; W904-R987 HydrophobicContact CH2-CG 3.98Å; W904-R987 HydrophobicContact CZ2-CG 4.08Å; W904-R987 HydrophobicContact CZ3-CB 4.17Å; W904-R987 HydrophobicContact CZ3-CG 4.16Å; W904-R987 PolarHBondContact O-NH1 2.63Å; F907-R987 HydrophobicContact CB-CB 4.18Å; F907-R987 HydrophobicContact CD2-CB 4.31Å; W909-R987 WeakPolarHBondContact O-CA 3.38Å; E910-R987 HydrophobicContact CB-CG 3.9Å; E910-R987 HydrophobicContact CG-CG 3.99Å; E910-R987 IonicContact OE2-CZ 3.4Å; E910-R987 VanDerWaalsContact OE2-CZ 3.31Å; E910-R987 IonicContact OE2-NE 2.66Å; E910-R987 PolarHBondContact OE2-NE 3.42Å; E910-R987 VanDerWaalsContact OE2-NE 3.08Å; E910-R987 IonicContact OE2-NH2 3.34Å; E910-R987 PolarHBondContact OE2-NH2 3.46Å; L966-R987 PolarHBondContact N-O 3.08Å; L966-R987 PolarHBondContact O-N 2.87Å
988A88Confident85Confident0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-146.8166.2176.900000110.2W909 M993 A994W909-A988 PolarHBondContact N-O 3.35Å; W909-A988 PolarHBondContact O-N 2.92Å; W909-A988 VanDerWaalsContact O-N 3.16Å; A988-M993 HydrophobicContact CB-CB 3.73Å; A988-A994 HydrophobicContact CB-CB 4.23Å
989K84.1Confident85.3Confident152 Ų15239.1 Ų39.166%0.66119%0.194SC*.SBendtrans-72.2-32.4176.4-170.5173.8-178.3176.80112.6W909W909-K989 VanDerWaalsContact CD1-O 3.3Å
990T81.8Confident85.3Confident35 Ų3541 Ų4122%0.21520%0.196CC..SBendtrans-110.6141-179.352.10000110.6G992 M993 A994T990-G992 PolarHBondContact O-N 2.85Å; T990-M993 PolarHBondContact O-N 2.62Å; T990-M993 WeakPolarHBondContact OG1-CG 3.49Å; T990-A994 PolarHBondContact O-N 2.98Å
991Q82.9Confident85.4Confident99 Ų9941 Ų4146%0.46320%0.196SC..Hα-helixtrans-58.2-47.6-179.7-175.4179.3-2.500111.5W909 M993 A994 V995W909-Q991 HydrophobicContact CD2-CB 3.55Å; W909-Q991 HydrophobicContact CD2-CG 3.94Å; W909-Q991 HydrophobicContact CE3-CB 3.73Å; W909-Q991 HydrophobicContact CE3-CG 3.54Å; W909-Q991 HydrophobicContact CG-CB 4.06Å; W909-Q991 HydrophobicContact CH2-CB 4.13Å; W909-Q991 HydrophobicContact CH2-CG 4.08Å; W909-Q991 VanDerWaalsContact CH2-OE1 3.24Å; W909-Q991 HydrophobicContact CZ2-CB 3.99Å; W909-Q991 HydrophobicContact CZ2-CG 4.46Å; W909-Q991 HydrophobicContact CZ3-CB 4.01Å; W909-Q991 HydrophobicContact CZ3-CG 3.61Å; Q991-M993 VanDerWaalsContact C-N 3.25Å; Q991-M993 PolarHBondContact O-N 3.5Å; Q991-A994 PolarHBondContact O-N 3.14Å; Q991-A994 VanDerWaalsContact O-N 3.12Å; Q991-V995 HydrophobicContact CG-CG2 4.2Å; Q991-V995 WeakPolarHBondContact O-CG2 3.35Å; Q991-V995 PolarHBondContact O-N 3.29Å
992G77.6Confident85.4Confident7 Ų740.7 Ų40.77%0.07220%0.196CC..Hα-helixtrans-58.3-35.2-176.900000113.7E855 T990 T996E855-G992 WeakPolarHBondContact OE1-CA 3.42Å; E855-G992 PolarHBondContact OE1-N 3.28Å; T990-G992 PolarHBondContact O-N 2.85Å; G992-T996 WeakPolarHBondContact O-CB 3.3Å; G992-T996 PolarHBondContact O-N 3.4Å; G992-T996 PolarHBondContact O-OG1 3.38Å
993M80.8Confident85.1Confident4 Ų442.9 Ų42.92%0.0221%0.209CC..Hα-helixtrans-67-46.8174.5-74-166.683.800112.9T854 T959 E963 V965 A988 T990 Q991 V995 T996 M997T854-M993 WeakPolarHBondContact OG1-CG 3.47Å; T959-M993 HydrophobicContact CG2-CE 3.14Å; T959-M993 HydrophobicContact CG2-SD 4.15Å; E963-M993 HydrophobicContact CB-SD 3.83Å; V965-M993 HydrophobicContact CG2-CE 3.09Å; V965-M993 HydrophobicContact CG2-SD 4.25Å; A988-M993 HydrophobicContact CB-CB 3.73Å; T990-M993 PolarHBondContact O-N 2.62Å; T990-M993 WeakPolarHBondContact OG1-CG 3.49Å; Q991-M993 VanDerWaalsContact C-N 3.25Å; Q991-M993 PolarHBondContact O-N 3.5Å; M993-V995 VanDerWaalsContact C-N 3.27Å; M993-V995 PolarHBondContact O-N 2.97Å; M993-T996 PolarHBondContact O-N 3.38Å; M993-M997 VanDerWaalsContact O-CB 3.31Å; M993-M997 WeakPolarHBondContact O-CB 3.31Å; M993-M997 VanDerWaalsContact O-CG 3.26Å; M993-M997 WeakPolarHBondContact O-CG 3.22Å; M993-M997 PolarHBondContact O-N 2.9Å
994A83.7Confident84.4Confident3 Ų340.8 Ų40.83%0.02520%0.202CC..Hα-helixtrans-62.8-38179.800000111.2W909 N911 A988 T990 Q991 G998W909-A994 HydrophobicContact CB-CB 4.26Å; N911-A994 HydrophobicContact CB-CB 4.21Å; N911-A994 VanDerWaalsContact CB-O 3.28Å; N911-A994 WeakPolarHBondContact CB-O 3.42Å; N911-A994 PolarHBondContact ND2-O 3.32Å; A988-A994 HydrophobicContact CB-CB 4.23Å; T990-A994 PolarHBondContact O-N 2.98Å; Q991-A994 PolarHBondContact O-N 3.14Å; Q991-A994 VanDerWaalsContact O-N 3.12Å; A994-G998 PolarHBondContact O-N 3.1Å
995V84.5Confident83.7Confident53 Ų5341.7 Ų41.732%0.32121%0.206SC..Hα-helixtrans-69-53.6175.6177.10000111Q991 M993 M997 G998 E999Q991-V995 HydrophobicContact CG-CG2 4.2Å; Q991-V995 WeakPolarHBondContact O-CG2 3.35Å; Q991-V995 PolarHBondContact O-N 3.29Å; M993-V995 VanDerWaalsContact C-N 3.27Å; M993-V995 PolarHBondContact O-N 2.97Å; V995-M997 VanDerWaalsContact C-N 3.32Å; V995-M997 PolarHBondContact O-N 3.27Å; V995-G998 CarbonylContact O-C 3.59Å; V995-G998 WeakPolarHBondContact O-CA 3.49Å; V995-G998 PolarHBondContact O-N 3.27Å; V995-E999 HydrophobicContact CG1-CG 4.27Å; V995-E999 PolarHBondContact O-N 3.49Å
996T80.4Confident82.7Confident9 Ų944.5 Ų44.56%0.05522%0.221CC..Hα-helixtrans-54-47.3-179.7-65.90000111.8N856 G992 M993 G998 E999 R1000N856-T996 WeakPolarHBondContact ND2-CG2 3.31Å; N856-T996 WeakPolarHBondContact OD1-CG2 3.34Å; G992-T996 WeakPolarHBondContact O-CB 3.3Å; G992-T996 PolarHBondContact O-N 3.4Å; G992-T996 PolarHBondContact O-OG1 3.38Å; M993-T996 PolarHBondContact O-N 3.38Å; T996-G998 VanDerWaalsContact C-N 3.34Å; T996-G998 PolarHBondContact O-N 3.45Å; T996-E999 PolarHBondContact O-N 2.92Å; T996-R1000 WeakPolarHBondContact O-CB 3.42Å; T996-R1000 PolarHBondContact O-N 3.37Å
997M84.5Confident81.3Confident0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-66.1-37.1178.2-71.2-62.2-65.900112.1M887 I890 T933 L935 V965 I986 M993 V995 R1000 V1001M887-M997 HydrophobicContact SD-SD 3.79Å; I890-M997 HydrophobicContact CD1-CE 4.49Å; I890-M997 HydrophobicContact CD1-CG 4.33Å; I890-M997 HydrophobicContact CD1-SD 3.34Å; I890-M997 WeakPolarHBondContact CD1-SD 3.39Å; T933-M997 HydrophobicContact CG2-CE 4.46Å; L935-M997 HydrophobicContact CD1-CE 4.03Å; L935-M997 HydrophobicContact CD2-CE 4.29Å; L935-M997 HydrophobicContact CG-CE 4.02Å; V965-M997 HydrophobicContact CG1-CE 4.45Å; V965-M997 HydrophobicContact CG1-CG 4.08Å; I986-M997 HydrophobicContact CD1-CB 3.86Å; I986-M997 HydrophobicContact CG2-CB 3.92Å; M993-M997 VanDerWaalsContact O-CB 3.31Å; M993-M997 WeakPolarHBondContact O-CB 3.31Å; M993-M997 VanDerWaalsContact O-CG 3.26Å; M993-M997 WeakPolarHBondContact O-CG 3.22Å; M993-M997 PolarHBondContact O-N 2.9Å; V995-M997 VanDerWaalsContact C-N 3.32Å; V995-M997 PolarHBondContact O-N 3.27Å; M997-R1000 PolarHBondContact O-N 3.06Å; M997-V1001 WeakPolarHBondContact O-CG2 3.39Å; M997-V1001 PolarHBondContact O-N 3.12Å
998G84.6Confident80.1Confident2 Ų250.4 Ų50.42%0.02125%0.254CS..Hα-helixtrans-70.6-39.8177.300000113.3A994 V995 T996 R1000 V1001 S1002A994-G998 PolarHBondContact O-N 3.1Å; V995-G998 CarbonylContact O-C 3.59Å; V995-G998 WeakPolarHBondContact O-CA 3.49Å; V995-G998 PolarHBondContact O-N 3.27Å; T996-G998 VanDerWaalsContact C-N 3.34Å; T996-G998 PolarHBondContact O-N 3.45Å; G998-R1000 VanDerWaalsContact C-N 3.29Å; G998-R1000 PolarHBondContact O-N 3.41Å; G998-V1001 PolarHBondContact O-N 3.32Å; G998-S1002 WeakPolarHBondContact O-CB 3.31Å; G998-S1002 PolarHBondContact O-N 2.82Å
999E83.4Confident78.5Confident106 Ų10655.2 Ų55.250%0.49529%0.285SS..Hα-helixtrans-62.3-38.6172.7-73-178.3172.600111.5V995 T996 S1002 S1003V995-E999 HydrophobicContact CG1-CG 4.27Å; V995-E999 PolarHBondContact O-N 3.49Å; T996-E999 PolarHBondContact O-N 2.92Å; E999-S1002 PolarHBondContact O-N 3Å; E999-S1003 WeakPolarHBondContact O-CB 3.11Å; E999-S1003 PolarHBondContact O-N 2.92Å; E999-S1003 PolarHBondContact O-OG 3.42Å
1000R80.5Confident76.8Confident82 Ų8252.2 Ų52.231%0.30928%0.279SS..Hα-helixtrans-64.2-47.8174.4-170.360.3169.4-149.1-7.7111.3D885 M887 T996 M997 G998 S1002 S1003 C1004D885-R1000 IonicContact OD2-CZ 2.72Å; D885-R1000 VanDerWaalsContact OD2-CZ 3.32Å; D885-R1000 IonicContact OD2-NH1 3.64Å; D885-R1000 PolarHBondContact OD2-NH1 3.22Å; D885-R1000 IonicContact OD2-NH2 3.68Å; D885-R1000 PolarHBondContact OD2-NH2 3.09Å; M887-R1000 HydrophobicContact CG-CG 4.3Å; M887-R1000 HydrophobicContact SD-CG 4.1Å; T996-R1000 WeakPolarHBondContact O-CB 3.42Å; T996-R1000 PolarHBondContact O-N 3.37Å; M997-R1000 PolarHBondContact O-N 3.06Å; G998-R1000 VanDerWaalsContact C-N 3.29Å; G998-R1000 PolarHBondContact O-N 3.41Å; R1000-S1002 VanDerWaalsContact C-N 3.26Å; R1000-S1002 PolarHBondContact O-N 2.96Å; R1000-S1003 PolarHBondContact O-N 3.46Å; R1000-C1004 WeakPolarHBondContact O-CB 3.28Å; R1000-C1004 PolarHBondContact O-N 3.07Å; R1000-C1004 PolarHBondContact O-SG 2.94Å
1001V83.9Confident74.8Confident3 Ų358 Ų582%0.01831%0.309CS..Hα-helixtrans-58-39.6175.2169.40000111.3V913 I929 T933 V984 I986 M997 G998 Q1005V913-V1001 HydrophobicContact CB-CG1 4.33Å; V913-V1001 HydrophobicContact CG1-CG1 4.03Å; I929-V1001 HydrophobicContact CD1-CB 4.5Å; I929-V1001 HydrophobicContact CD1-CG1 3.76Å; I929-V1001 HydrophobicContact CD1-CG2 3.94Å; I929-V1001 HydrophobicContact CG1-CG2 4.25Å; T933-V1001 HydrophobicContact CG2-CG2 3.71Å; V984-V1001 HydrophobicContact CB-CG1 4.28Å; V984-V1001 HydrophobicContact CG2-CG1 3.98Å; I986-V1001 HydrophobicContact CD1-CG2 3.95Å; M997-V1001 WeakPolarHBondContact O-CG2 3.39Å; M997-V1001 PolarHBondContact O-N 3.12Å; G998-V1001 PolarHBondContact O-N 3.32Å; V1001-Q1005 VanDerWaalsContact O-CG 3.26Å; V1001-Q1005 WeakPolarHBondContact O-CG 3.45Å; V1001-Q1005 PolarHBondContact O-N 3.36Å; V1001-Q1005 PolarHBondContact O-NE2 3.13Å
1002S84.9Confident72.4Confident52 Ų5258.8 Ų58.836%0.36432%0.316SS..Hα-helixtrans-67.9-41.6175.9-172.10000112.6G998 E999 R1000 Q1005G998-S1002 WeakPolarHBondContact O-CB 3.31Å; G998-S1002 PolarHBondContact O-N 2.82Å; E999-S1002 PolarHBondContact O-N 3Å; R1000-S1002 VanDerWaalsContact C-N 3.26Å; R1000-S1002 PolarHBondContact O-N 2.96Å; S1002-Q1005 PolarHBondContact O-N 3.35Å
1003S80.8Confident70.2Confident58 Ų5863.9 Ų63.941%0.40635%0.351SS..Hα-helixtrans-69.7-41.1179.8-60.80000112.4E999 R1000 Q1005 K1006 N1007E999-S1003 WeakPolarHBondContact O-CB 3.11Å; E999-S1003 PolarHBondContact O-N 2.92Å; E999-S1003 PolarHBondContact O-OG 3.42Å; R1000-S1003 PolarHBondContact O-N 3.46Å; S1003-Q1005 PolarHBondContact O-N 3.33Å; S1003-K1006 PolarHBondContact O-N 2.99Å; S1003-K1006 VanDerWaalsContact O-N 3.15Å; S1003-N1007 PolarHBondContact O-N 3.03Å
1004C77.6Confident67.7Low24 Ų2471.3 Ų71.316%0.16239%0.386CS..Hα-helixtrans-62.1-32.8177.2-680000112.4H932 R1000 K1006 N1007H932-C1004 HydrophobicContact CB-CB 4.39Å; R1000-C1004 WeakPolarHBondContact O-CB 3.28Å; R1000-C1004 PolarHBondContact O-N 3.07Å; R1000-C1004 PolarHBondContact O-SG 2.94Å; C1004-K1006 VanDerWaalsContact C-N 3.3Å; C1004-K1006 PolarHBondContact O-N 3.2Å; C1004-N1007 PolarHBondContact O-N 3.37Å
1005Q77Confident64.9Low21 Ų2177 Ų7710%0.09842%0.42CS..Hα-helixtrans-66.3-30.8176.8-73174.161.900113.1V915 N916 Y925 V1001 S1002 S1003V915-Q1005 VanDerWaalsContact CA-OE1 3.3Å; N916-Q1005 PolarHBondContact O-OE1 3.46Å; Y925-Q1005 HydrophobicContact CE2-CG 4.25Å; Y925-Q1005 PolarHBondContact OH-NE2 3.23Å; V1001-Q1005 VanDerWaalsContact O-CG 3.26Å; V1001-Q1005 WeakPolarHBondContact O-CG 3.45Å; V1001-Q1005 PolarHBondContact O-N 3.36Å; V1001-Q1005 PolarHBondContact O-NE2 3.13Å; S1002-Q1005 PolarHBondContact O-N 3.35Å; S1003-Q1005 PolarHBondContact O-N 3.33Å
1006K71Confident62.3Low169 Ų16980.3 Ų80.374%0.73544%0.443SS*.Hα-helixtrans-75.9-29.3178.4-65.5-179.4-177.5175.70113.2S1003 C1004S1003-K1006 PolarHBondContact O-N 2.99Å; S1003-K1006 VanDerWaalsContact O-N 3.15Å; C1004-K1006 VanDerWaalsContact C-N 3.3Å; C1004-K1006 PolarHBondContact O-N 3.2Å
1007N63.1Low59.7Low137 Ų13785 Ų8573%0.73348%0.476SS*.SBendtrans-92.91.7-171.2-73.3-11000114.2S1003 C1004S1003-N1007 PolarHBondContact O-N 3.03Å; C1004-N1007 PolarHBondContact O-N 3.37Å
1008W67.2Low57Low43 Ų4391.7 Ų91.716%0.16351%0.512CS..SBendtrans-75.2126.6-176.2-146.7-45.1000110.4I919 T924 Y925 Q928 V1010I919-W1008 HydrophobicContact CD1-CD2 3.33Å; I919-W1008 HydrophobicContact CD1-CE3 3.2Å; I919-W1008 HydrophobicContact CD1-CG 4.08Å; I919-W1008 HydrophobicContact CD1-CH2 3.01Å; I919-W1008 HydrophobicContact CD1-CZ2 3.16Å; I919-W1008 HydrophobicContact CD1-CZ3 3.06Å; I919-W1008 HydrophobicContact CG1-CD2 4.44Å; I919-W1008 HydrophobicContact CG1-CH2 4.43Å; I919-W1008 HydrophobicContact CG1-CZ2 4.35Å; T924-W1008 HydrophobicContact CG2-CH2 4.41Å; T924-W1008 HydrophobicContact CG2-CZ2 3.84Å; T924-W1008 VanDerWaalsContact O-CH2 3.24Å; T924-W1008 WeakPolarHBondContact O-CH2 3.21Å; Y925-W1008 HydrophobicContact CD2-CZ3 4.01Å; Y925-W1008 HydrophobicContact CE2-CZ3 4.45Å; Q928-W1008 HydrophobicContact CB-CD2 4.39Å; Q928-W1008 HydrophobicContact CB-CE3 4.24Å; Q928-W1008 HydrophobicContact CB-CH2 3.11Å; Q928-W1008 HydrophobicContact CB-CZ2 3.3Å; Q928-W1008 HydrophobicContact CB-CZ3 3.62Å; Q928-W1008 HydrophobicContact CG-CH2 3.42Å; Q928-W1008 VanDerWaalsContact CG-CH2 3.42Å; Q928-W1008 HydrophobicContact CG-CZ2 3.03Å; Q928-W1008 HydrophobicContact CG-CZ3 4.34Å; W1008-V1010 PolarHBondContact O-N 2.95Å; W1008-V1010 VanDerWaalsContact O-N 3.09Å
1009P54.1Low54.3Low101 Ų10198.9 Ų98.966%0.65655%0.55SS*.  trans-50.8121176.615.1-30.7000111.5N1011P1009-N1011 PolarHBondContact O-N 3.24Å
1010V47.9Very low51.5Low88 Ų8899.4 Ų99.453%0.53356%0.56SS.*  trans-61.9115.4160.8-175.50000105W1008 N1012W1008-V1010 PolarHBondContact O-N 2.95Å; W1008-V1010 VanDerWaalsContact O-N 3.09Å; V1010-N1012 HydrophobicContact CG1-CB 4.49Å; V1010-N1012 VanDerWaalsContact CG1-OD1 3.23Å; V1010-N1012 WeakPolarHBondContact CG1-OD1 3.43Å; V1010-N1012 PolarHBondContact O-N 3.27Å
1011N39.9Very low48.9Very low157 Ų157101.3 Ų101.384%0.8458%0.581SS**  trans-64.775.7162.6-96.3-6.4000107.1P1009 S1013P1009-N1011 PolarHBondContact O-N 3.24Å; N1011-S1013 VanDerWaalsContact C-N 3.29Å; N1011-S1013 PolarHBondContact O-N 3.49Å
1012N33.7Very low46.1Very low115 Ų115109.9 Ų109.962%0.61562%0.618SS**  trans-69.998.2166.9-92.7-12000105.3V1010 Q1014V1010-N1012 HydrophobicContact CG1-CB 4.49Å; V1010-N1012 VanDerWaalsContact CG1-OD1 3.23Å; V1010-N1012 WeakPolarHBondContact CG1-OD1 3.43Å; V1010-N1012 PolarHBondContact O-N 3.27Å; N1012-Q1014 HydrophobicContact CB-CG 4.5Å; N1012-Q1014 PolarHBondContact O-N 3.45Å
1013S30.5Very low43.5Very low115 Ų115114.9 Ų114.980%0.80464%0.635SS**  trans-57.869.5155540000109.1N1011 T1015N1011-S1013 VanDerWaalsContact C-N 3.29Å; N1011-S1013 PolarHBondContact O-N 3.49Å; S1013-T1015 PolarHBondContact O-N 2.92Å
1014Q28.2Very low40.9Very low159 Ų159119.8 Ų119.874%0.74365%0.652SS**  trans-82.396.9158.8-78.5-174.1-4.200105.8N1012N1012-Q1014 HydrophobicContact CB-CG 4.5Å; N1012-Q1014 PolarHBondContact O-N 3.45Å
1015T25.8Very low38.4Very low123 Ų123125.7 Ų125.776%0.75568%0.682SS**  trans-17.5117.9160.5420000112.4S1013 S1017S1013-T1015 PolarHBondContact O-N 2.92Å; T1015-S1017 PolarHBondContact O-N 3.48Å; T1015-S1017 VanDerWaalsContact O-N 3.07Å
1016P29Very low36.2Very low123 Ų123132.8 Ų132.880%0.79972%0.721SS**  trans-66.5113.2176.826.9-29.2000107.6D1018P1016-D1018 PolarHBondContact O-N 3.28Å
1017S27.1Very low34Very low106 Ų106133.3 Ų133.374%0.74173%0.726SS**  trans-60.2117.7167.649.60000108.5T1015 N1019T1015-S1017 PolarHBondContact O-N 3.48Å; T1015-S1017 VanDerWaalsContact O-N 3.07Å; S1017-N1019 PolarHBondContact O-N 3.35Å
1018D27.2Very low32.3Very low141 Ų141134.3 Ų134.375%0.75473%0.731SS**  trans-39.8102.4172.4-74.1-45.3000112.1P1016P1016-D1018 PolarHBondContact O-N 3.28Å
1019N27.9Very low30.4Very low153 Ų153137.8 Ų137.882%0.81876%0.762SS**  trans-120.467.4155.4-92.5-21.9000107.7S1017 T1021S1017-N1019 PolarHBondContact O-N 3.35Å; N1019-T1021 PolarHBondContact O-N 2.91Å; N1019-T1021 VanDerWaalsContact O-N 3.08Å
1020T24.3Very low29.2Very low118 Ų118141 Ų14172%0.72477%0.773SS**  trans-61.298.7159.944.80000108.8
1021T25Very low28.4Very low122 Ų122140.5 Ų140.575%0.74878%0.779SS**  trans-177.1104.9152.717.60000108.9N1019N1019-T1021 PolarHBondContact O-N 2.91Å; N1019-T1021 VanDerWaalsContact O-N 3.08Å
1022K26.7Very low27.7Very low183 Ų183140.6 Ų140.680%0.79678%0.779SS**  162.3122.9127-90.9172.8178.4-179.90112.4
1023H29.9Very low27.5Very low156 Ų156141.1 Ų141.172%0.72279%0.786SS**  trans60.4100.2148.6-60.4-66.3000117.3
1024Q25.9Very low27.3Very low161 Ų161143.3 Ų143.375%0.75279%0.787SS**  52.59385.5-82.7-179.2-17.300112.8
1025D25.9Very low27.3Very low148 Ų148145.9 Ų145.979%0.79179%0.79SS**  43.384.9123-51.6-24000116.8
1026D29.6Very low27.3Very low170 Ų170145.5 Ų145.591%0.90979%0.793SS**  trans-114.895.3149.9-88.1-35.2000108.6N1028D1026-N1028 PolarHBondContact O-N 2.72Å
1027E25.5Very low27.2Very low181 Ų181148.6 Ų148.685%0.84680%0.796SS**  trans-63.9114.6164.2-66.3177.7149.100109.8
1028N27Very low27.1Very low157 Ų157148 Ų14884%0.8479%0.792SS**  trans169.994141.4-97.6-37.8000110.8D1026D1026-N1028 PolarHBondContact O-N 2.72Å
1029S28.2Very low27.2Very low116 Ų116146.9 Ų146.981%0.81179%0.793SS**  trans-147.769.4158.752.60000110.8A1031S1029-A1031 VanDerWaalsContact C-N 3.32Å; S1029-A1031 PolarHBondContact O-N 3.36Å; S1029-A1031 VanDerWaalsContact O-N 3.09Å
1030D27.1Very low27.3Very low168 Ų168145 Ų14590%0.89879%0.786SS**  trans-73.587.5159.8-86.5-26.4000108.9
1031A31.1Very low27.5Very low78 Ų78146.4 Ų146.465%0.64579%0.789SS**  trans-127.588.8170.400000110.3S1029 V1033S1029-A1031 VanDerWaalsContact C-N 3.32Å; S1029-A1031 PolarHBondContact O-N 3.36Å; S1029-A1031 VanDerWaalsContact O-N 3.09Å; A1031-V1033 PolarHBondContact O-N 2.93Å; A1031-V1033 VanDerWaalsContact O-N 3.13Å
1032N26.8Very low27.7Very low160 Ų160147.1 Ų147.186%0.85679%0.789SS**  trans3071.2145.3-74.9-31.2000117.2I1034N1032-I1034 PolarHBondContact O-N 3.24Å
1033V29.8Very low28Very low126 Ų126144.2 Ų144.276%0.76479%0.786SS**  trans-82.696.2158.2179.80000107.8A1031 R1035A1031-V1033 PolarHBondContact O-N 2.93Å; A1031-V1033 VanDerWaalsContact O-N 3.13Å; V1033-R1035 VanDerWaalsContact C-N 3.33Å; V1033-R1035 HydrophobicContact CG1-CG 4.45Å; V1033-R1035 PolarHBondContact O-N 2.67Å
1034I26.2Very low28.1Very low160 Ų160143.7 Ų143.782%0.82179%0.788SS**  trans-63.694170.6-62.5172.2000107.5N1032 S1036N1032-I1034 PolarHBondContact O-N 3.24Å; I1034-S1036 PolarHBondContact O-N 3.4Å
1035R27.7Very low28.2Very low213 Ų213142.3 Ų142.380%0.80479%0.79SS**  trans-70.9108.8171.1-75.6-177.4175.2175.9-0.7108.7V1033 H1037V1033-R1035 VanDerWaalsContact C-N 3.33Å; V1033-R1035 HydrophobicContact CG1-CG 4.45Å; V1033-R1035 PolarHBondContact O-N 2.67Å; R1035-H1037 PolarHBondContact O-N 3.19Å
1036S25.2Very low28.3Very low115 Ų115141.9 Ų141.980%0.80479%0.787SS**  trans-61.2111.2166.351.70000109.5I1034 S1038I1034-S1036 PolarHBondContact O-N 3.4Å; S1036-S1038 PolarHBondContact O-N 3.38Å
1037H27Very low28.3Very low188 Ų188139 Ų13987%0.8778%0.781SS**  trans-61.5111.9171.9-75.9-86.2000110.2R1035R1035-H1037 PolarHBondContact O-N 3.19Å
1038S25.2Very low28.6Very low94 Ų94143.1 Ų143.166%0.65780%0.8SS**  trans-80.9136.9154.176.40000108.2S1036 V1040S1036-S1038 PolarHBondContact O-N 3.38Å; S1038-V1040 PolarHBondContact O-N 3.04Å; S1038-V1040 VanDerWaalsContact O-N 3.14Å
1039P29.1Very low28.7Very low118 Ų118142.5 Ų142.577%0.76680%0.798SS**  trans-76.4104.918030.3-30.8000108.7N1041P1039-N1041 PolarHBondContact O-N 3.27Å; P1039-N1041 VanDerWaalsContact O-N 3.08Å
1040V30.2Very low28.7Very low113 Ų113143.8 Ų143.869%0.68580%0.797SS**  trans-69.2102.7166.4177.60000107.2S1038 N1042S1038-V1040 PolarHBondContact O-N 3.04Å; S1038-V1040 VanDerWaalsContact O-N 3.14Å; V1040-N1042 VanDerWaalsContact C-N 3.34Å; V1040-N1042 PolarHBondContact O-N 3.24Å
1041N28.7Very low28.8Very low147 Ų147142.5 Ų142.579%0.78679%0.791SS**  trans-64.492.5167.8-96.4-15.6000109P1039 V1043P1039-N1041 PolarHBondContact O-N 3.27Å; P1039-N1041 VanDerWaalsContact O-N 3.08Å; N1041-V1043 VanDerWaalsContact C-N 3.25Å; N1041-V1043 PolarHBondContact O-N 3.28Å
1042N28.9Very low28.7Very low138 Ų138146.3 Ų146.374%0.73880%0.8SS**  trans-71.383163.7-85-18.6000109V1040 L1044V1040-N1042 VanDerWaalsContact C-N 3.34Å; V1040-N1042 PolarHBondContact O-N 3.24Å; N1042-L1044 VanDerWaalsContact C-N 3.33Å; N1042-L1044 PolarHBondContact O-N 2.99Å; N1042-L1044 VanDerWaalsContact O-N 3.14Å
1043V33.3Very low28.8Very low121 Ų121145.4 Ų145.473%0.73380%0.796SS**  trans-77.793.8160.6-179.70000106.7N1041 V1045N1041-V1043 VanDerWaalsContact C-N 3.25Å; N1041-V1043 PolarHBondContact O-N 3.28Å; V1043-V1045 PolarHBondContact O-N 3.02Å
1044L30.7Very low28.8Very low146 Ų146146.7 Ų146.776%0.76480%0.799SS**  trans-57102168.8-88.6148.3000109.5N1042 N1046N1042-L1044 VanDerWaalsContact C-N 3.33Å; N1042-L1044 PolarHBondContact O-N 2.99Å; N1042-L1044 VanDerWaalsContact O-N 3.14Å; L1044-N1046 PolarHBondContact O-N 3.19Å
1045V29.3Very low28.9Very low132 Ų132145.8 Ų145.880%0.880%0.797SS**  trans-74.594.8159.1178.30000106.7V1043V1043-V1045 PolarHBondContact O-N 3.02Å
1046N27.5Very low29Very low138 Ų138140.6 Ų140.674%0.73880%0.797SS**  trans-163.8100165.2-103.6-17.7000109.9L1044L1044-N1046 PolarHBondContact O-N 3.19Å
1047S30.2Very low29.4Very low111 Ų111142.8 Ų142.878%0.77680%0.796SS**  trans165.1119134.344.10000111
1048H32.2Very low29.6Very low267 Ų267138.6 Ų138.6100%1.23679%0.789SS**  trans60.20157.1-70-61000121.7

Retrieved 1,048 of 1,048 residues in 1194 ms (Link to these results)

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