A0A077Z328_TRITR Loading...

Transgelin

AlphaFold DB , UniProt , Accession A0A077Z328, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M41.8Very low72.9Confident240 Ų240114.7 Ų114.7100%1.18267%0.669SS**  0105.40-78.1-164.3-93.700105.7R3M1-R3 PolarHBondContact O-N 3.26Å
2D55.3Low74Confident168 Ų168117 Ų11790%0.89867%0.668SS**PPolyproline II helixtrans-64.4127.8167.9-64.3-41.5000106.8
3R62.9Low74.8Confident153 Ų153111.9 Ų111.958%0.57765%0.649SS**PPolyproline II helixtrans-57.1148176-70.2-172.6-175.4176.210.9108.4M1 T5 E114M1-R3 PolarHBondContact O-N 3.26Å; R3-T5 PolarHBondContact O-N 3.2Å; R3-E114 IonicContact CZ-OE1 3.63Å; R3-E114 IonicContact CZ-OE2 2.83Å; R3-E114 IonicContact NE-OE1 3.75Å; R3-E114 IonicContact NE-OE2 2.91Å; R3-E114 PolarHBondContact NE-OE2 3.3Å; R3-E114 IonicContact NH1-OE2 3.47Å; R3-E114 PolarHBondContact NH1-OE2 3.01Å; R3-E114 VanDerWaalsContact NH2-CD 3.28Å; R3-E114 IonicContact NH2-OE1 2.94Å; R3-E114 PolarHBondContact NH2-OE1 2.98Å; R3-E114 IonicContact NH2-OE2 2.89Å; R3-E114 PolarHBondContact NH2-OE2 3.32Å
4A68.3Low75.2Confident94 Ų94106.9 Ų106.978%0.77762%0.617SS**PPolyproline II helixtrans-52.2128.6175.700000109.7K6A4-K6 PolarHBondContact O-N 3.39Å; A4-K6 VanDerWaalsContact O-N 3.1Å
5T71.7Confident75.8Confident136 Ų136103.7 Ų103.783%0.83461%0.609SS**PPolyproline II helixtrans-51.1120.9174.3-51.50000108.3R3R3-T5 PolarHBondContact O-N 3.2Å
6K77.2Confident76.5Confident86 Ų86106.2 Ų106.237%0.37461%0.61SS.*PPolyproline II helixtrans-60.8143.5178.9-61.5-171.9-164144.80108.9A4 A10 A11 E14A4-K6 PolarHBondContact O-N 3.39Å; A4-K6 VanDerWaalsContact O-N 3.1Å; K6-A10 HydrophobicContact CB-CB 3.99Å; K6-A10 HydrophobicContact CD-CB 4.09Å; K6-A10 HydrophobicContact CG-CB 4.36Å; K6-A11 HydrophobicContact CB-CB 4.41Å; K6-A11 WeakPolarHBondContact O-CB 3.36Å; K6-E14 WeakPolarHBondContact CD-OE2 3.35Å; K6-E14 WeakPolarHBondContact CE-OE2 3.38Å; K6-E14 IonicContact NZ-OE2 2.72Å; K6-E14 PolarHBondContact NZ-OE2 3.25Å
7S84.5Confident76.9Confident96 Ų96103.2 Ų103.267%0.67159%0.59SS**  trans-131.1161.5177.962.20000110.7I9 A10S7-I9 PolarHBondContact O-N 3.15Å; S7-A10 PolarHBondContact O-N 3.34Å
8G89.9Confident77.3Confident60 Ų60101 Ų10162%0.61957%0.573SS**THydrogen-bonded Turntrans58.2-132.6-179.700000113.1A10 A11 E12G8-A10 PolarHBondContact O-N 3.28Å; G8-A11 WeakPolarHBondContact O-CB 2.95Å; G8-A11 PolarHBondContact O-N 2.98Å; G8-A11 VanDerWaalsContact O-N 3.12Å; G8-E12 PolarHBondContact O-N 3.4Å; G8-E12 VanDerWaalsContact O-N 3.14Å
9I85.1Confident77.9Confident149 Ų149100.5 Ų100.576%0.76458%0.576SS**Hα-helixtrans-58-31.6-177.261.5170.7000113.4S7 A13S7-I9 PolarHBondContact O-N 3.15Å; I9-A13 WeakPolarHBondContact O-CB 3.37Å; I9-A13 PolarHBondContact O-N 2.95Å
10A82.8Confident78.6Confident43 Ų43102.1 Ų102.136%0.35558%0.576SS.*Hα-helixtrans-75-33.5-178.100000111.5K6 S7 G8 E14K6-A10 HydrophobicContact CB-CB 3.99Å; K6-A10 HydrophobicContact CD-CB 4.09Å; K6-A10 HydrophobicContact CG-CB 4.36Å; S7-A10 PolarHBondContact O-N 3.34Å; G8-A10 PolarHBondContact O-N 3.28Å; A10-E14 PolarHBondContact O-N 2.91Å
11A82.8Confident79.4Confident37 Ų3798 Ų9831%0.30655%0.552SS.*Hα-helixtrans-70.3-43173.600000111.4K6 G8 E14 A15K6-A11 HydrophobicContact CB-CB 4.41Å; K6-A11 WeakPolarHBondContact O-CB 3.36Å; G8-A11 WeakPolarHBondContact O-CB 2.95Å; G8-A11 PolarHBondContact O-N 2.98Å; G8-A11 VanDerWaalsContact O-N 3.12Å; A11-E14 PolarHBondContact O-N 3.38Å; A11-A15 WeakPolarHBondContact O-CB 3.26Å; A11-A15 PolarHBondContact O-N 2.58Å
12E85.7Confident82Confident142 Ų14288 Ų8866%0.66451%0.506SS*.Hα-helixtrans-62.8-43.2178.2-171.7-175.9175.700111.8G8 E14 A15 K16G8-E12 PolarHBondContact O-N 3.4Å; G8-E12 VanDerWaalsContact O-N 3.14Å; E12-E14 PolarHBondContact O-N 3.33Å; E12-A15 PolarHBondContact O-N 2.79Å; E12-K16 WeakPolarHBondContact O-CB 3.39Å; E12-K16 PolarHBondContact O-N 2.91Å
13A83.9Confident83.9Confident51 Ų5183.1 Ų83.142%0.42148%0.483SS..Hα-helixtrans-61.5-43.2176.300000112.1I9 K16 I17I9-A13 WeakPolarHBondContact O-CB 3.37Å; I9-A13 PolarHBondContact O-N 2.95Å; A13-K16 PolarHBondContact O-N 2.86Å; A13-I17 WeakPolarHBondContact O-CG1 3.22Å; A13-I17 PolarHBondContact O-N 2.97Å; A13-I17 VanDerWaalsContact O-N 3.08Å
14E80.9Confident85.5Confident41 Ų4182.3 Ų82.319%0.19249%0.491CS..Hα-helixtrans-64.9-43.6176.1-174.4176.9151.600112.1K6 A10 A11 E12 K16 I17 K18K6-E14 WeakPolarHBondContact CD-OE2 3.35Å; K6-E14 WeakPolarHBondContact CE-OE2 3.38Å; K6-E14 IonicContact NZ-OE2 2.72Å; K6-E14 PolarHBondContact NZ-OE2 3.25Å; A10-E14 PolarHBondContact O-N 2.91Å; A11-E14 PolarHBondContact O-N 3.38Å; E12-E14 PolarHBondContact O-N 3.33Å; E14-K16 VanDerWaalsContact C-N 3.28Å; E14-K16 PolarHBondContact O-N 3.38Å; E14-I17 PolarHBondContact O-N 3.35Å; E14-I17 VanDerWaalsContact O-N 3.15Å; E14-K18 HydrophobicContact CG-CD 4.19Å; E14-K18 WeakPolarHBondContact O-CG 3.37Å; E14-K18 PolarHBondContact O-N 3.15Å; E14-K18 WeakPolarHBondContact OE1-CE 3.5Å; E14-K18 IonicContact OE1-NZ 3.91Å; E14-K18 PolarHBondContact OE1-NZ 2.89Å
15A84Confident86.8Confident60 Ų6082.8 Ų82.850%0.49648%0.477SS..Hα-helixtrans-60.3-39.1176.400000111.8A11 E12 I17 K18 S19A11-A15 WeakPolarHBondContact O-CB 3.26Å; A11-A15 PolarHBondContact O-N 2.58Å; E12-A15 PolarHBondContact O-N 2.79Å; A15-I17 VanDerWaalsContact C-N 3.34Å; A15-K18 PolarHBondContact O-N 3.48Å; A15-S19 WeakPolarHBondContact O-CB 3.4Å; A15-S19 PolarHBondContact O-N 3.41Å; A15-S19 PolarHBondContact O-OG 3.22Å
16K87.1Confident88Confident143 Ų14376.3 Ų76.362%0.62244%0.437SS*.Hα-helixtrans-70.6-27.4176.9-172.1172.6-175.4174.20113.7E12 A13 E14 S19E12-K16 WeakPolarHBondContact O-CB 3.39Å; E12-K16 PolarHBondContact O-N 2.91Å; A13-K16 PolarHBondContact O-N 2.86Å; E14-K16 VanDerWaalsContact C-N 3.28Å; E14-K16 PolarHBondContact O-N 3.38Å; K16-S19 WeakPolarHBondContact CA-OG 3.31Å; K16-S19 PolarHBondContact O-OG 2.93Å
17I83Confident89Confident55 Ų5574.1 Ų74.128%0.28243%0.433SS..Hα-helixtrans-73.1-50.1172.4-72166.5000109.2A13 E14 A15 S19 K20 D117A13-I17 WeakPolarHBondContact O-CG1 3.22Å; A13-I17 PolarHBondContact O-N 2.97Å; A13-I17 VanDerWaalsContact O-N 3.08Å; E14-I17 PolarHBondContact O-N 3.35Å; E14-I17 VanDerWaalsContact O-N 3.15Å; A15-I17 VanDerWaalsContact C-N 3.34Å; I17-S19 VanDerWaalsContact C-N 3.25Å; I17-S19 PolarHBondContact O-N 3.41Å; I17-K20 WeakPolarHBondContact O-CB 3.44Å; I17-K20 PolarHBondContact O-N 3.33Å; I17-D117 HydrophobicContact CG2-CB 3.89Å; I17-D117 WeakPolarHBondContact CG2-OD1 3.47Å
18K84.3Confident89.5Confident64 Ų6474.9 Ų74.928%0.27843%0.425SS..Hα-helixtrans-60.8-32.9178.4-71.4177.6171.8173.70112.6E14 A15 K20 F21 M47E14-K18 HydrophobicContact CG-CD 4.19Å; E14-K18 WeakPolarHBondContact O-CG 3.37Å; E14-K18 PolarHBondContact O-N 3.15Å; E14-K18 WeakPolarHBondContact OE1-CE 3.5Å; E14-K18 IonicContact OE1-NZ 3.91Å; E14-K18 PolarHBondContact OE1-NZ 2.89Å; A15-K18 PolarHBondContact O-N 3.48Å; K18-K20 PolarHBondContact O-N 3.38Å; K18-F21 WeakPolarHBondContact O-CB 3.39Å; K18-F21 PolarHBondContact O-N 3.49Å; K18-F21 VanDerWaalsContact O-N 3.1Å; K18-M47 HydrophobicContact CB-SD 4.25Å; K18-M47 HydrophobicContact CD-CE 4.3Å; K18-M47 HydrophobicContact CD-SD 4.36Å; K18-M47 HydrophobicContact CG-SD 4.1Å
19S88.3Confident89.9Confident91 Ų9172.2 Ų72.264%0.63640%0.397SS*.THydrogen-bonded Turntrans-68.6-13176.871.20000114.7A15 K16 I17 F21A15-S19 WeakPolarHBondContact O-CB 3.4Å; A15-S19 PolarHBondContact O-N 3.41Å; A15-S19 PolarHBondContact O-OG 3.22Å; K16-S19 WeakPolarHBondContact CA-OG 3.31Å; K16-S19 PolarHBondContact O-OG 2.93Å; I17-S19 VanDerWaalsContact C-N 3.25Å; I17-S19 PolarHBondContact O-N 3.41Å; S19-F21 VanDerWaalsContact C-N 3.34Å
20K93.5Very high90.5Very high132 Ų13265.1 Ų65.157%0.57436%0.361SS*.THydrogen-bonded Turntrans-81.2-17.5172.7-63.7175-177.1177.40112.8I17 K18 S22 N119I17-K20 WeakPolarHBondContact O-CB 3.44Å; I17-K20 PolarHBondContact O-N 3.33Å; K18-K20 PolarHBondContact O-N 3.38Å; K20-S22 PolarHBondContact O-N 3.29Å; K20-N119 HydrophobicContact CB-CB 4.48Å; K20-N119 PolarHBondContact O-OD1 2.91Å; K20-N119 VanDerWaalsContact O-OD1 3.11Å
21F94.5Very high91.2Very high18 Ų1865 Ų658%0.07936%0.356CS..  trans-61.4127.3179.8-174.8-92.5000109.9K18 S19 P23 A26 G45 M47 F50 P118 N119 L122K18-F21 WeakPolarHBondContact O-CB 3.39Å; K18-F21 PolarHBondContact O-N 3.49Å; K18-F21 VanDerWaalsContact O-N 3.1Å; S19-F21 VanDerWaalsContact C-N 3.34Å; F21-P23 HydrophobicContact CD1-CG 4.49Å; F21-P23 WeakPolarHBondContact O-CD 3.5Å; F21-A26 HydrophobicContact CE1-CB 3.89Å; F21-A26 HydrophobicContact CE2-CB 4.28Å; F21-A26 HydrophobicContact CZ-CB 3.44Å; F21-A26 VanDerWaalsContact CZ-CB 3.44Å; F21-G45 WeakPolarHBondContact CE1-O 3.48Å; F21-M47 HydrophobicContact CD1-CB 3.97Å; F21-M47 HydrophobicContact CD1-CG 4.36Å; F21-M47 HydrophobicContact CE1-CB 3.85Å; F21-M47 HydrophobicContact CE1-CG 4.42Å; F21-M47 HydrophobicContact CG-CG 4.43Å; F21-M47 HydrophobicContact CZ-CB 4.31Å; F21-F50 HydrophobicContact CE2-CB 4.47Å; F21-F50 AromaticContact CE2-CD1 3.67Å; F21-F50 HydrophobicContact CE2-CD1 3.67Å; F21-F50 AromaticContact CE2-CE1 3.95Å; F21-F50 HydrophobicContact CE2-CE1 3.95Å; F21-F50 HydrophobicContact CE2-CG 4.02Å; F21-F50 HydrophobicContact CZ-CB 3.83Å; F21-F50 AromaticContact CZ-CD1 3.9Å; F21-F50 HydrophobicContact CZ-CD1 3.9Å; F21-F50 HydrophobicContact CZ-CD2 4.35Å; F21-F50 AromaticContact CZ-CG 3.78Å; F21-F50 HydrophobicContact CZ-CG 3.78Å; F21-P118 HydrophobicContact CD2-CB 3.99Å; F21-P118 HydrophobicContact CE2-CB 4.15Å; F21-N119 HydrophobicContact CB-CB 4.4Å; F21-L122 HydrophobicContact CD2-CD2 4.27Å; F21-L122 HydrophobicContact CE2-CB 4.45Å; F21-L122 HydrophobicContact CE2-CD1 4.47Å; F21-L122 HydrophobicContact CE2-CD2 4.38Å
22S95.6Very high91.8Very high30 Ų3063.9 Ų63.921%0.2134%0.343CS..  trans-104.1112.1178.6173.10000110K20 D24 Q25 A26K20-S22 PolarHBondContact O-N 3.29Å; S22-D24 VanDerWaalsContact C-N 3.29Å; S22-D24 PolarHBondContact O-N 3.39Å; S22-Q25 PolarHBondContact O-N 3.36Å; S22-Q25 WeakPolarHBondContact OG-CG 3.41Å; S22-Q25 PolarHBondContact OG-N 2.82Å; S22-A26 WeakPolarHBondContact O-CB 3.24Å; S22-A26 PolarHBondContact O-N 3.14Å
23P96.3Very high92.4Very high65 Ų6557.1 Ų57.142%0.42231%0.312SS..Hα-helixtrans-60.8-36.8176.8-25.235.4000113.2F21 A26 S27 G45F21-P23 HydrophobicContact CD1-CG 4.49Å; F21-P23 WeakPolarHBondContact O-CD 3.5Å; P23-A26 WeakPolarHBondContact O-CB 3.32Å; P23-A26 PolarHBondContact O-N 2.88Å; P23-S27 PolarHBondContact O-N 2.74Å; P23-G45 VanDerWaalsContact CA-O 3.24Å; P23-G45 WeakPolarHBondContact CA-O 3.46Å; P23-G45 WeakPolarHBondContact CB-O 3.35Å; P23-G45 WeakPolarHBondContact O-CA 3.45Å
24D95.9Very high93Very high136 Ų13658.4 Ų58.473%0.72731%0.306SS*.Hα-helixtrans-63.7-45178.4-58.9-59.6000111.6S22 A26 S27 Q28S22-D24 VanDerWaalsContact C-N 3.29Å; S22-D24 PolarHBondContact O-N 3.39Å; D24-A26 VanDerWaalsContact C-N 3.33Å; D24-S27 PolarHBondContact O-N 3.32Å; D24-Q28 WeakPolarHBondContact O-CB 3.39Å; D24-Q28 PolarHBondContact O-N 3.06Å
25Q95.2Very high93.8Very high103 Ų10361 Ų6148%0.48132%0.321SS..Hα-helixtrans-65.8-37.9175.1-70.2-176-37.400111.6S22 Q28 L29 L122S22-Q25 PolarHBondContact O-N 3.36Å; S22-Q25 WeakPolarHBondContact OG-CG 3.41Å; S22-Q25 PolarHBondContact OG-N 2.82Å; Q25-Q28 PolarHBondContact O-N 2.68Å; Q25-L29 WeakPolarHBondContact O-CB 3.42Å; Q25-L29 WeakPolarHBondContact O-CG 3.16Å; Q25-L29 PolarHBondContact O-N 3.35Å; Q25-L122 HydrophobicContact CB-CD1 4.34Å; Q25-L122 HydrophobicContact CB-CD2 4.09Å; Q25-L122 HydrophobicContact CB-CG 4.49Å
26A97.6Very high94.3Very high0 Ų058.6 Ų58.60%030%0.3CS..Hα-helixtrans-62.6-47.317700000111.3F21 S22 P23 D24 Q28 L29 L30 F50 L122F21-A26 HydrophobicContact CE1-CB 3.89Å; F21-A26 HydrophobicContact CE2-CB 4.28Å; F21-A26 HydrophobicContact CZ-CB 3.44Å; F21-A26 VanDerWaalsContact CZ-CB 3.44Å; S22-A26 WeakPolarHBondContact O-CB 3.24Å; S22-A26 PolarHBondContact O-N 3.14Å; P23-A26 WeakPolarHBondContact O-CB 3.32Å; P23-A26 PolarHBondContact O-N 2.88Å; D24-A26 VanDerWaalsContact C-N 3.33Å; A26-Q28 PolarHBondContact O-N 2.78Å; A26-L29 PolarHBondContact O-N 3.04Å; A26-L30 WeakPolarHBondContact O-CB 3.49Å; A26-L30 VanDerWaalsContact O-CG 3.3Å; A26-L30 WeakPolarHBondContact O-CG 3.48Å; A26-L30 PolarHBondContact O-N 3.39Å; A26-F50 HydrophobicContact CB-CD2 3.78Å; A26-F50 HydrophobicContact CB-CE2 4.25Å; A26-F50 HydrophobicContact CB-CG 4.32Å; A26-L122 VanDerWaalsContact CA-CD1 3.48Å; A26-L122 HydrophobicContact CB-CD1 3.83Å
27S97.5Very high94.6Very high41 Ų4152.6 Ų52.629%0.28728%0.276SS..Hα-helixtrans-62.8-42177-174.10000112.1P23 D24 L29 L30 T31 T43P23-S27 PolarHBondContact O-N 2.74Å; D24-S27 PolarHBondContact O-N 3.32Å; S27-L29 VanDerWaalsContact C-N 3.34Å; S27-L29 PolarHBondContact O-N 3.08Å; S27-L30 PolarHBondContact O-N 2.9Å; S27-T31 WeakPolarHBondContact O-CB 3.36Å; S27-T31 PolarHBondContact O-N 3.46Å; S27-T31 PolarHBondContact O-OG1 3.22Å; S27-T43 WeakPolarHBondContact CA-O 3.27Å; S27-T43 WeakPolarHBondContact CB-O 3.5Å; S27-T43 PolarHBondContact OG-O 2.97Å
28Q96.5Very high95.1Very high111 Ų11158.3 Ų58.352%0.51930%0.301SS..Hα-helixtrans-60.3-44.1175.1-175.1-179.450.500111.7D24 Q25 A26 W32 V140D24-Q28 WeakPolarHBondContact O-CB 3.39Å; D24-Q28 PolarHBondContact O-N 3.06Å; Q25-Q28 PolarHBondContact O-N 2.68Å; A26-Q28 PolarHBondContact O-N 2.78Å; Q28-W32 WeakPolarHBondContact O-CB 3.2Å; Q28-W32 PolarHBondContact O-N 3.19Å; Q28-V140 HydrophobicContact CG-CG1 3.87Å
29L97.3Very high95.4Very high5 Ų556.3 Ų56.33%0.02629%0.293CS..Hα-helixtrans-70.7-40.7179-76.2171.4000112.5Q25 A26 S27 T31 W32 I33 L122 L125 A126 A129Q25-L29 WeakPolarHBondContact O-CB 3.42Å; Q25-L29 WeakPolarHBondContact O-CG 3.16Å; Q25-L29 PolarHBondContact O-N 3.35Å; A26-L29 PolarHBondContact O-N 3.04Å; S27-L29 VanDerWaalsContact C-N 3.34Å; S27-L29 PolarHBondContact O-N 3.08Å; L29-T31 VanDerWaalsContact C-N 3.34Å; L29-W32 HydrophobicContact CD2-CE3 4.39Å; L29-W32 PolarHBondContact O-N 2.8Å; L29-I33 WeakPolarHBondContact O-CB 3.34Å; L29-I33 WeakPolarHBondContact O-CG1 3.49Å; L29-I33 PolarHBondContact O-N 3.49Å; L29-L122 HydrophobicContact CD1-CD1 3.61Å; L29-L122 HydrophobicContact CD1-CG 4.22Å; L29-L122 WeakPolarHBondContact CD1-O 3.33Å; L29-L125 HydrophobicContact CD1-CB 3.89Å; L29-L125 HydrophobicContact CD2-CB 4.41Å; L29-A126 HydrophobicContact CD1-CB 4.16Å; L29-A129 HydrophobicContact CD2-CB 3.76Å
30L98.1Very high95.6Very high0 Ų060.9 Ų60.90%030%0.304CS..Hα-helixtrans-62.7-42.9175.3-70.5171.4000111.2A26 S27 W32 I33 R34 I41 T43 D44 F50 V53 L54A26-L30 WeakPolarHBondContact O-CB 3.49Å; A26-L30 VanDerWaalsContact O-CG 3.3Å; A26-L30 WeakPolarHBondContact O-CG 3.48Å; A26-L30 PolarHBondContact O-N 3.39Å; S27-L30 PolarHBondContact O-N 2.9Å; L30-W32 VanDerWaalsContact C-N 3.34Å; L30-W32 PolarHBondContact O-N 2.92Å; L30-I33 PolarHBondContact O-N 3.3Å; L30-R34 WeakPolarHBondContact O-CB 3.26Å; L30-R34 PolarHBondContact O-N 3.27Å; L30-I41 HydrophobicContact CD2-CD1 4.34Å; L30-T43 HydrophobicContact CB-CG2 4.37Å; L30-D44 WeakPolarHBondContact CD1-O 3.43Å; L30-F50 HydrophobicContact CD1-CB 4.46Å; L30-F50 HydrophobicContact CD1-CD2 4.04Å; L30-F50 HydrophobicContact CD2-CD2 4.08Å; L30-F50 HydrophobicContact CG-CD2 3.96Å; L30-V53 HydrophobicContact CD2-CG1 4.06Å; L30-L54 HydrophobicContact CD2-CD1 4.47Å; L30-L54 HydrophobicContact CD2-CD2 4.44Å; L30-L54 HydrophobicContact CD2-CG 4.4Å
31T96.9Very high95.6Very high40 Ų4056 Ų5625%0.24528%0.284CS..Hα-helixtrans-59.1-46.8173.3-57.80000111S27 L29 I33 R34 D35S27-T31 WeakPolarHBondContact O-CB 3.36Å; S27-T31 PolarHBondContact O-N 3.46Å; S27-T31 PolarHBondContact O-OG1 3.22Å; L29-T31 VanDerWaalsContact C-N 3.34Å; T31-I33 PolarHBondContact O-N 2.86Å; T31-R34 WeakPolarHBondContact O-CB 3.34Å; T31-R34 PolarHBondContact O-N 2.8Å; T31-D35 PolarHBondContact O-N 2.91Å
32W96.7Very high95.8Very high13 Ų1359.4 Ų59.45%0.04930%0.303CS..Hα-helixtrans-61.4-43.7176.3175.575.2000112.3Q28 L29 L30 R34 D35 I36 L63 L67 V128 A129 A132 P138 V140Q28-W32 WeakPolarHBondContact O-CB 3.2Å; Q28-W32 PolarHBondContact O-N 3.19Å; L29-W32 HydrophobicContact CD2-CE3 4.39Å; L29-W32 PolarHBondContact O-N 2.8Å; L30-W32 VanDerWaalsContact C-N 3.34Å; L30-W32 PolarHBondContact O-N 2.92Å; W32-R34 PolarHBondContact O-N 3.48Å; W32-D35 PolarHBondContact O-N 3.12Å; W32-I36 HydrophobicContact CD2-CG1 4.1Å; W32-I36 HydrophobicContact CG-CG1 4.28Å; W32-I36 HydrophobicContact CZ2-CG1 3.83Å; W32-I36 WeakPolarHBondContact O-CB 3.47Å; W32-I36 VanDerWaalsContact O-CG1 3.26Å; W32-I36 WeakPolarHBondContact O-CG1 3.45Å; W32-I36 PolarHBondContact O-N 3Å; W32-L63 HydrophobicContact CH2-CD1 3.9Å; W32-L63 HydrophobicContact CH2-CD2 4.49Å; W32-L63 HydrophobicContact CZ3-CD1 3.88Å; W32-L63 HydrophobicContact CZ3-CD2 4.03Å; W32-L67 HydrophobicContact CH2-CD1 4.47Å; W32-L67 HydrophobicContact CZ2-CD2 4.44Å; W32-V128 HydrophobicContact CH2-CG1 4.1Å; W32-A129 HydrophobicContact CD2-CB 3.89Å; W32-A129 HydrophobicContact CE3-CB 3.77Å; W32-A129 HydrophobicContact CH2-CB 3.93Å; W32-A129 HydrophobicContact CZ2-CB 4.01Å; W32-A129 HydrophobicContact CZ3-CB 3.79Å; W32-A132 HydrophobicContact CH2-CB 4.38Å; W32-A132 HydrophobicContact CZ2-CB 3.59Å; W32-P138 PolarHBondContact NE1-O 2.86Å; W32-V140 HydrophobicContact CB-CG2 3.88Å; W32-V140 VanDerWaalsContact CD1-CG2 3.42Å; W32-V140 HydrophobicContact CD2-CG2 4.39Å; W32-V140 HydrophobicContact CG-CG2 3.6Å
33I97.8Very high95.8Very high0 Ų059.5 Ų59.50%030%0.303CS..Hα-helixtrans-60.7-47.7176.3-68.9169.6000110.4L29 L30 T31 D35 I36 S37 I41 L54 V59 L63 L125L29-I33 WeakPolarHBondContact O-CB 3.34Å; L29-I33 WeakPolarHBondContact O-CG1 3.49Å; L29-I33 PolarHBondContact O-N 3.49Å; L30-I33 PolarHBondContact O-N 3.3Å; T31-I33 PolarHBondContact O-N 2.86Å; I33-D35 VanDerWaalsContact C-N 3.31Å; I33-D35 PolarHBondContact O-N 3.24Å; I33-I36 PolarHBondContact O-N 3.14Å; I33-S37 VanDerWaalsContact O-CB 3.31Å; I33-S37 WeakPolarHBondContact O-CB 3.49Å; I33-S37 PolarHBondContact O-N 3.46Å; I33-S37 PolarHBondContact O-OG 3.49Å; I33-I41 HydrophobicContact CB-CD1 4.25Å; I33-I41 HydrophobicContact CG2-CD1 3.91Å; I33-L54 HydrophobicContact CD1-CD2 4.39Å; I33-V59 HydrophobicContact CG2-CG1 3.55Å; I33-L63 HydrophobicContact CD1-CD2 4.3Å; I33-L63 HydrophobicContact CG1-CD1 4.33Å; I33-L63 HydrophobicContact CG1-CD2 3.93Å; I33-L63 HydrophobicContact CG2-CB 4.43Å; I33-L63 HydrophobicContact CG2-CD1 4.48Å; I33-L125 HydrophobicContact CD1-CD1 3.91Å; I33-L125 HydrophobicContact CD1-CD2 3.97Å
34R97Very high95.9Very high79 Ų7960.1 Ų60.130%0.29830%0.302SS..Hα-helixtrans-52.1-51176.8-169.5-163.359-164.4-3.2110.8L30 T31 W32 E38 Q39 I41 T43L30-R34 WeakPolarHBondContact O-CB 3.26Å; L30-R34 PolarHBondContact O-N 3.27Å; T31-R34 WeakPolarHBondContact O-CB 3.34Å; T31-R34 PolarHBondContact O-N 2.8Å; W32-R34 PolarHBondContact O-N 3.48Å; R34-E38 WeakPolarHBondContact O-CA 3.36Å; R34-E38 PolarHBondContact O-N 3.25Å; R34-Q39 WeakPolarHBondContact CG-O 3.3Å; R34-Q39 PolarHBondContact O-N 2.95Å; R34-I41 HydrophobicContact CB-CD1 4.22Å; R34-I41 HydrophobicContact CB-CG1 3.84Å; R34-I41 HydrophobicContact CG-CG1 4.07Å; R34-T43 HydrophobicContact CB-CG2 4.23Å
35D96.1Very high95.8Very high94 Ų9453.9 Ų53.950%0.50327%0.27SS..Hα-helixtrans-71.5-37.8-175.5-60.9-9.8000112.5T31 W32 I33T31-D35 PolarHBondContact O-N 2.91Å; W32-D35 PolarHBondContact O-N 3.12Å; I33-D35 VanDerWaalsContact C-N 3.31Å; I33-D35 PolarHBondContact O-N 3.24Å
36I95.8Very high95.9Very high11 Ų1151 Ų516%0.05626%0.261CS..Hα-helixtrans-73.5-39.9179-66-49.3000112.2W32 I33 L63 A66 L67 K137 P138W32-I36 HydrophobicContact CD2-CG1 4.1Å; W32-I36 HydrophobicContact CG-CG1 4.28Å; W32-I36 HydrophobicContact CZ2-CG1 3.83Å; W32-I36 WeakPolarHBondContact O-CB 3.47Å; W32-I36 VanDerWaalsContact O-CG1 3.26Å; W32-I36 WeakPolarHBondContact O-CG1 3.45Å; W32-I36 PolarHBondContact O-N 3Å; I33-I36 PolarHBondContact O-N 3.14Å; I36-L63 HydrophobicContact CB-CD1 4.2Å; I36-L63 HydrophobicContact CG2-CD1 3.91Å; I36-A66 HydrophobicContact CG2-CB 4.17Å; I36-A66 WeakPolarHBondContact O-CB 3.44Å; I36-L67 HydrophobicContact CG2-CD2 4.1Å; I36-L67 HydrophobicContact CG2-CG 4.46Å; I36-K137 HydrophobicContact CD1-CB 4.02Å; I36-K137 HydrophobicContact CD1-CD 4.3Å; I36-K137 HydrophobicContact CG2-CD 4.44Å; I36-K137 HydrophobicContact CG2-CG 4.41Å; I36-P138 HydrophobicContact CD1-CB 4.49Å; I36-P138 HydrophobicContact CD1-CG 4.26Å
37S94Very high95.7Very high17 Ų1753 Ų5312%0.11927%0.271CS..Hα-helixtrans-94.3-4-174.366.60000114.4I33 Q39I33-S37 VanDerWaalsContact O-CB 3.31Å; I33-S37 WeakPolarHBondContact O-CB 3.49Å; I33-S37 PolarHBondContact O-N 3.46Å; I33-S37 PolarHBondContact O-OG 3.49Å; S37-Q39 PolarHBondContact O-N 3.42Å; S37-Q39 WeakPolarHBondContact OG-CG 3.37Å; S37-Q39 PolarHBondContact OG-NE2 3.16Å
38E92.9Very high95.7Very high175 Ų17557.1 Ų57.182%0.81829%0.286SS*.THydrogen-bonded Turntrans52.340-177.7-60.4174.7-157.200111.8R34R34-E38 WeakPolarHBondContact O-CA 3.36Å; R34-E38 PolarHBondContact O-N 3.25Å
39Q89.2Confident95.7Very high22 Ų2253 Ų5310%0.10327%0.267CS..  trans-106.4139.9179.2-67.4-177.994.700110.4R34 S37 I41 V59 K62R34-Q39 WeakPolarHBondContact CG-O 3.3Å; R34-Q39 PolarHBondContact O-N 2.95Å; S37-Q39 PolarHBondContact O-N 3.42Å; S37-Q39 WeakPolarHBondContact OG-CG 3.37Å; S37-Q39 PolarHBondContact OG-NE2 3.16Å; Q39-I41 HydrophobicContact CB-CG2 4.14Å; Q39-I41 PolarHBondContact O-N 2.98Å; Q39-V59 PolarHBondContact NE2-O 2.96Å; Q39-K62 HydrophobicContact CG-CB 4.42Å; Q39-K62 HydrophobicContact CG-CD 4.16Å
40E93Very high95.8Very high187 Ų18752.8 Ų52.887%0.87427%0.266SS*.  trans-80.7100.1168.9-66.6-63.7135.300109.5
41I94.9Very high95.7Very high28 Ų2853.8 Ų53.814%0.14427%0.272CS..  trans-128.1152.1176.562.1173.5000110.6L30 I33 R34 Q39 T43 V53 V59L30-I41 HydrophobicContact CD2-CD1 4.34Å; I33-I41 HydrophobicContact CB-CD1 4.25Å; I33-I41 HydrophobicContact CG2-CD1 3.91Å; R34-I41 HydrophobicContact CB-CD1 4.22Å; R34-I41 HydrophobicContact CB-CG1 3.84Å; R34-I41 HydrophobicContact CG-CG1 4.07Å; Q39-I41 HydrophobicContact CB-CG2 4.14Å; Q39-I41 PolarHBondContact O-N 2.98Å; I41-T43 PolarHBondContact O-N 2.82Å; I41-V53 HydrophobicContact CB-CG1 3.9Å; I41-V53 HydrophobicContact CD1-CG1 4.07Å; I41-V53 HydrophobicContact CG2-CG1 4.13Å; I41-V59 HydrophobicContact CD1-CG1 4.07Å; I41-V59 HydrophobicContact CG2-CG1 4.43Å; I41-V59 HydrophobicContact CG2-CG2 3.84Å
42D96.8Very high95.8Very high91 Ų9155.1 Ų55.149%0.48729%0.286SS..  trans-69.5122.4173-168.7-17.1000109.9D44 N49 V53D42-D44 VanDerWaalsContact OD1-CB 3.3Å; D42-D44 WeakPolarHBondContact OD1-CB 3.5Å; D42-D44 PolarHBondContact OD1-N 2.87Å; D42-N49 WeakPolarHBondContact CB-OD1 3.4Å; D42-N49 PolarHBondContact O-ND2 3.2Å; D42-N49 VanDerWaalsContact O-ND2 3.16Å; D42-N49 PolarHBondContact OD2-OD1 3.49Å; D42-V53 HydrophobicContact CB-CG2 4.21Å
43T96.6Very high95.8Very high32 Ų3255.5 Ų55.520%0.19629%0.29CS..  trans-95.69.8-17860.30000113.3S27 L30 R34 I41 G45S27-T43 WeakPolarHBondContact CA-O 3.27Å; S27-T43 WeakPolarHBondContact CB-O 3.5Å; S27-T43 PolarHBondContact OG-O 2.97Å; L30-T43 HydrophobicContact CB-CG2 4.37Å; R34-T43 HydrophobicContact CB-CG2 4.23Å; I41-T43 PolarHBondContact O-N 2.82Å; T43-G45 PolarHBondContact O-N 3.15Å
44D97.3Very high95.9Very high77 Ų7755.5 Ų55.541%0.41229%0.29SS..  trans-59.6132.6172.7-179.773.8000111.3L30 D42 S46 N49L30-D44 WeakPolarHBondContact CD1-O 3.43Å; D42-D44 VanDerWaalsContact OD1-CB 3.3Å; D42-D44 WeakPolarHBondContact OD1-CB 3.5Å; D42-D44 PolarHBondContact OD1-N 2.87Å; D44-S46 VanDerWaalsContact C-N 3.29Å; D44-S46 PolarHBondContact O-N 3.18Å; D44-S46 WeakPolarHBondContact OD2-CA 3.39Å; D44-S46 WeakPolarHBondContact OD2-CB 3.49Å; D44-S46 PolarHBondContact OD2-N 3.29Å; D44-S46 PolarHBondContact OD2-OG 3.43Å; D44-N49 HydrophobicContact CB-CB 4.31Å; D44-N49 PolarHBondContact O-ND2 3.19Å
45G94.7Very high95.9Very high6 Ų655.9 Ų55.96%0.06229%0.294CS..  trans-80.2-1.2-174.500000114.9F21 P23 T43F21-G45 WeakPolarHBondContact CE1-O 3.48Å; P23-G45 VanDerWaalsContact CA-O 3.24Å; P23-G45 WeakPolarHBondContact CA-O 3.46Å; P23-G45 WeakPolarHBondContact CB-O 3.35Å; P23-G45 WeakPolarHBondContact O-CA 3.45Å; T43-G45 PolarHBondContact O-N 3.15Å
46S96.6Very high95.9Very high41 Ų4154 Ų5429%0.28728%0.284SS..  trans-59.1146.2179.363.80000111.2D44 E48 N49 F50D44-S46 VanDerWaalsContact C-N 3.29Å; D44-S46 PolarHBondContact O-N 3.18Å; D44-S46 WeakPolarHBondContact OD2-CA 3.39Å; D44-S46 WeakPolarHBondContact OD2-CB 3.49Å; D44-S46 PolarHBondContact OD2-N 3.29Å; D44-S46 PolarHBondContact OD2-OG 3.43Å; S46-E48 VanDerWaalsContact C-N 3.25Å; S46-E48 PolarHBondContact O-N 3.04Å; S46-N49 PolarHBondContact O-N 3.3Å; S46-N49 WeakPolarHBondContact OG-CB 3.36Å; S46-N49 PolarHBondContact OG-N 3.2Å; S46-F50 VanDerWaalsContact O-CB 3.3Å; S46-F50 WeakPolarHBondContact O-CB 3.45Å; S46-F50 PolarHBondContact O-N 3.48Å
47M95.1Very high96Very high42 Ų4253.5 Ų53.521%0.20728%0.281CS..Hα-helixtrans-61-40-179.4-176.7177.759.300110.6K18 F21 F50 I51 P118K18-M47 HydrophobicContact CB-SD 4.25Å; K18-M47 HydrophobicContact CD-CE 4.3Å; K18-M47 HydrophobicContact CD-SD 4.36Å; K18-M47 HydrophobicContact CG-SD 4.1Å; F21-M47 HydrophobicContact CD1-CB 3.97Å; F21-M47 HydrophobicContact CD1-CG 4.36Å; F21-M47 HydrophobicContact CE1-CB 3.85Å; F21-M47 HydrophobicContact CE1-CG 4.42Å; F21-M47 HydrophobicContact CG-CG 4.43Å; F21-M47 HydrophobicContact CZ-CB 4.31Å; M47-F50 PolarHBondContact O-N 3.3Å; M47-I51 HydrophobicContact CG-CD1 3.82Å; M47-I51 WeakPolarHBondContact O-CB 3.44Å; M47-I51 VanDerWaalsContact O-CD1 3.28Å; M47-I51 WeakPolarHBondContact O-CD1 3.29Å; M47-I51 WeakPolarHBondContact O-CG1 3.49Å; M47-I51 PolarHBondContact O-N 3.39Å; M47-P118 HydrophobicContact CG-CB 4.12Å; M47-P118 HydrophobicContact CG-CG 4.07Å; M47-P118 HydrophobicContact SD-CB 4.42Å; M47-P118 HydrophobicContact SD-CG 3.99Å
48E96.2Very high96.2Very high129 Ų12953.1 Ų53.160%0.60328%0.278SS*.Hα-helixtrans-61.5-47.2177.5-65.372.3-158.100111.8S46 A52S46-E48 VanDerWaalsContact C-N 3.25Å; S46-E48 PolarHBondContact O-N 3.04Å; E48-A52 VanDerWaalsContact O-CB 3.28Å; E48-A52 WeakPolarHBondContact O-CB 3.12Å; E48-A52 PolarHBondContact O-N 3.22Å
49N97.6Very high96.5Very high24 Ų2445.3 Ų45.313%0.12824%0.243CC..Hα-helixtrans-64.7-48.4176.8-178.657000111.3D42 D44 S46 I51 A52 V53D42-N49 WeakPolarHBondContact CB-OD1 3.4Å; D42-N49 PolarHBondContact O-ND2 3.2Å; D42-N49 VanDerWaalsContact O-ND2 3.16Å; D42-N49 PolarHBondContact OD2-OD1 3.49Å; D44-N49 HydrophobicContact CB-CB 4.31Å; D44-N49 PolarHBondContact O-ND2 3.19Å; S46-N49 PolarHBondContact O-N 3.3Å; S46-N49 WeakPolarHBondContact OG-CB 3.36Å; S46-N49 PolarHBondContact OG-N 3.2Å; N49-I51 VanDerWaalsContact C-N 3.29Å; N49-I51 PolarHBondContact O-N 3.13Å; N49-A52 PolarHBondContact O-N 3.08Å; N49-V53 WeakPolarHBondContact O-CB 3.34Å; N49-V53 WeakPolarHBondContact O-CG2 3.43Å; N49-V53 PolarHBondContact O-N 3.07Å; N49-V53 WeakPolarHBondContact OD1-CG2 3.47Å
50F98.2Very high96.9Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-55.5-44.6179.6179.8-93.5000112.1F21 A26 L30 S46 M47 L54 V121 L122 L125F21-F50 HydrophobicContact CE2-CB 4.47Å; F21-F50 AromaticContact CE2-CD1 3.67Å; F21-F50 HydrophobicContact CE2-CD1 3.67Å; F21-F50 AromaticContact CE2-CE1 3.95Å; F21-F50 HydrophobicContact CE2-CE1 3.95Å; F21-F50 HydrophobicContact CE2-CG 4.02Å; F21-F50 HydrophobicContact CZ-CB 3.83Å; F21-F50 AromaticContact CZ-CD1 3.9Å; F21-F50 HydrophobicContact CZ-CD1 3.9Å; F21-F50 HydrophobicContact CZ-CD2 4.35Å; F21-F50 AromaticContact CZ-CG 3.78Å; F21-F50 HydrophobicContact CZ-CG 3.78Å; A26-F50 HydrophobicContact CB-CD2 3.78Å; A26-F50 HydrophobicContact CB-CE2 4.25Å; A26-F50 HydrophobicContact CB-CG 4.32Å; L30-F50 HydrophobicContact CD1-CB 4.46Å; L30-F50 HydrophobicContact CD1-CD2 4.04Å; L30-F50 HydrophobicContact CD2-CD2 4.08Å; L30-F50 HydrophobicContact CG-CD2 3.96Å; S46-F50 VanDerWaalsContact O-CB 3.3Å; S46-F50 WeakPolarHBondContact O-CB 3.45Å; S46-F50 PolarHBondContact O-N 3.48Å; M47-F50 PolarHBondContact O-N 3.3Å; F50-L54 HydrophobicContact CD1-CD1 4.26Å; F50-L54 HydrophobicContact CD2-CD1 4.05Å; F50-L54 HydrophobicContact CE1-CD1 3.9Å; F50-L54 HydrophobicContact CE2-CD1 3.66Å; F50-L54 HydrophobicContact CG-CD1 4.35Å; F50-L54 HydrophobicContact CZ-CD1 3.59Å; F50-L54 WeakPolarHBondContact O-CB 3.23Å; F50-L54 WeakPolarHBondContact O-CG 3.46Å; F50-L54 PolarHBondContact O-N 3.19Å; F50-V121 HydrophobicContact CE1-CB 4.07Å; F50-V121 HydrophobicContact CE1-CG1 4Å; F50-V121 HydrophobicContact CZ-CB 4.44Å; F50-V121 HydrophobicContact CZ-CG1 4.13Å; F50-L122 HydrophobicContact CE2-CD1 3.94Å; F50-L122 HydrophobicContact CZ-CB 4.27Å; F50-L122 HydrophobicContact CZ-CD1 4Å; F50-L125 HydrophobicContact CE2-CD1 4.05Å; F50-L125 HydrophobicContact CZ-CD1 3.81Å
51I97.5Very high97.2Very high22 Ų2235.4 Ų35.411%0.11320%0.196CC..Hα-helixtrans-63.2-52.3173.4-65.4157.5000109.6M47 N49 V53 L54 K55 A115 P118M47-I51 HydrophobicContact CG-CD1 3.82Å; M47-I51 WeakPolarHBondContact O-CB 3.44Å; M47-I51 VanDerWaalsContact O-CD1 3.28Å; M47-I51 WeakPolarHBondContact O-CD1 3.29Å; M47-I51 WeakPolarHBondContact O-CG1 3.49Å; M47-I51 PolarHBondContact O-N 3.39Å; N49-I51 VanDerWaalsContact C-N 3.29Å; N49-I51 PolarHBondContact O-N 3.13Å; I51-V53 PolarHBondContact O-N 3.28Å; I51-L54 PolarHBondContact O-N 3.48Å; I51-K55 WeakPolarHBondContact O-CA 3.19Å; I51-K55 WeakPolarHBondContact O-CB 3.44Å; I51-K55 PolarHBondContact O-N 2.9Å; I51-A115 HydrophobicContact CD1-CB 3.59Å; I51-A115 HydrophobicContact CG1-CB 4.25Å; I51-A115 HydrophobicContact CG2-CB 4.22Å; I51-P118 HydrophobicContact CD1-CB 4.32Å; I51-P118 HydrophobicContact CD1-CG 3.72Å; I51-P118 HydrophobicContact CG1-CB 4.15Å; I51-P118 HydrophobicContact CG1-CG 3.99Å
52A97.5Very high97.3Very high67 Ų6737.7 Ų37.755%0.55421%0.205SC*.Hα-helixtrans-57.9-44.1-174.100000113E48 N49 L54E48-A52 VanDerWaalsContact O-CB 3.28Å; E48-A52 WeakPolarHBondContact O-CB 3.12Å; E48-A52 PolarHBondContact O-N 3.22Å; N49-A52 PolarHBondContact O-N 3.08Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 3.42Å
53V97.9Very high97.4Very high22 Ų2233.4 Ų33.413%0.13318%0.182CC..Hα-helixtrans-65.1-36.4179.7170.70000112.1L30 I41 D42 N49 I51 V59L30-V53 HydrophobicContact CD2-CG1 4.06Å; I41-V53 HydrophobicContact CB-CG1 3.9Å; I41-V53 HydrophobicContact CD1-CG1 4.07Å; I41-V53 HydrophobicContact CG2-CG1 4.13Å; D42-V53 HydrophobicContact CB-CG2 4.21Å; N49-V53 WeakPolarHBondContact O-CB 3.34Å; N49-V53 WeakPolarHBondContact O-CG2 3.43Å; N49-V53 PolarHBondContact O-N 3.07Å; N49-V53 WeakPolarHBondContact OD1-CG2 3.47Å; I51-V53 PolarHBondContact O-N 3.28Å; V53-V59 HydrophobicContact CG1-CG2 4.27Å; V53-V59 WeakPolarHBondContact O-CG2 3.42Å
54L98.2Very high97.5Very high0 Ų031.9 Ų31.90%017%0.173CC..Hα-helixtrans-98-14-173.7-60.5177.4000113.7L30 I33 F50 I51 A52 D56 G57 V59 L60 L112 V121 L125L30-L54 HydrophobicContact CD2-CD1 4.47Å; L30-L54 HydrophobicContact CD2-CD2 4.44Å; L30-L54 HydrophobicContact CD2-CG 4.4Å; I33-L54 HydrophobicContact CD1-CD2 4.39Å; F50-L54 HydrophobicContact CD1-CD1 4.26Å; F50-L54 HydrophobicContact CD2-CD1 4.05Å; F50-L54 HydrophobicContact CE1-CD1 3.9Å; F50-L54 HydrophobicContact CE2-CD1 3.66Å; F50-L54 HydrophobicContact CG-CD1 4.35Å; F50-L54 HydrophobicContact CZ-CD1 3.59Å; F50-L54 WeakPolarHBondContact O-CB 3.23Å; F50-L54 WeakPolarHBondContact O-CG 3.46Å; F50-L54 PolarHBondContact O-N 3.19Å; I51-L54 PolarHBondContact O-N 3.48Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 3.42Å; L54-D56 VanDerWaalsContact C-N 3.31Å; L54-D56 PolarHBondContact O-N 3.32Å; L54-G57 PolarHBondContact O-N 3.46Å; L54-V59 HydrophobicContact CD2-CB 4.06Å; L54-V59 HydrophobicContact CD2-CG1 3.73Å; L54-L60 HydrophobicContact CD2-CD2 3.92Å; L54-L60 HydrophobicContact CD2-CG 4.26Å; L54-L112 HydrophobicContact CB-CD1 3.88Å; L54-L112 HydrophobicContact CB-CD2 4.14Å; L54-L112 WeakPolarHBondContact O-CD2 3.44Å; L54-V121 HydrophobicContact CD1-CG1 4.43Å; L54-L125 HydrophobicContact CD1-CD1 3.68Å
55K97.6Very high97.5Very high87 Ų8730.1 Ų30.138%0.37816%0.163SC..THydrogen-bonded Turntrans-56.5-37-167.4-172.8169.3-174.6168.60114.9I51 G57 Y113I51-K55 WeakPolarHBondContact O-CA 3.19Å; I51-K55 WeakPolarHBondContact O-CB 3.44Å; I51-K55 PolarHBondContact O-N 2.9Å; K55-G57 VanDerWaalsContact C-N 3.26Å; K55-G57 PolarHBondContact O-N 2.89Å; K55-Y113 WeakPolarHBondContact CE-O 3.3Å; K55-Y113 HydrophobicContact CG-CD2 4.49Å
56D97Very high97.6Very high54 Ų5431 Ų3129%0.28917%0.171SC..THydrogen-bonded Turntrans-81.8-7.2-178.3699.5000113.5L54 V58 Q84 N87L54-D56 VanDerWaalsContact C-N 3.31Å; L54-D56 PolarHBondContact O-N 3.32Å; D56-V58 HydrophobicContact CB-CG2 4.33Å; D56-V58 PolarHBondContact O-N 2.79Å; D56-V58 VanDerWaalsContact OD1-CB 3.32Å; D56-V58 WeakPolarHBondContact OD1-CB 3.43Å; D56-V58 PolarHBondContact OD1-N 3.47Å; D56-Q84 HydrophobicContact CB-CG 3.86Å; D56-Q84 WeakPolarHBondContact O-CA 3.48Å; D56-N87 WeakPolarHBondContact O-CB 3.4Å; D56-N87 PolarHBondContact O-ND2 2.98Å
57G97.9Very high97.6Very high0 Ų029.4 Ų29.40%016%0.158CC..SBendtrans68.50.6-176.700000115L54 K55 L60 C61L54-G57 PolarHBondContact O-N 3.46Å; K55-G57 VanDerWaalsContact C-N 3.26Å; K55-G57 PolarHBondContact O-N 2.89Å; G57-L60 PolarHBondContact O-N 2.88Å; G57-C61 WeakPolarHBondContact O-CB 3.36Å; G57-C61 PolarHBondContact O-N 3.25Å; G57-C61 PolarHBondContact O-SG 3.26Å
58V98Very high97.7Very high10 Ų1031.6 Ų31.66%0.06117%0.168CC..Hα-helixtrans-66.1-46.3-178.5173.60000110.2D56 L60 C61 K62 I75 E77D56-V58 HydrophobicContact CB-CG2 4.33Å; D56-V58 PolarHBondContact O-N 2.79Å; D56-V58 VanDerWaalsContact OD1-CB 3.32Å; D56-V58 WeakPolarHBondContact OD1-CB 3.43Å; D56-V58 PolarHBondContact OD1-N 3.47Å; V58-L60 VanDerWaalsContact C-N 3.31Å; V58-L60 PolarHBondContact O-N 3.44Å; V58-C61 PolarHBondContact O-N 3.43Å; V58-K62 HydrophobicContact CG1-CD 3.98Å; V58-K62 PolarHBondContact O-N 3.45Å; V58-I75 HydrophobicContact CB-CG2 4.31Å; V58-I75 HydrophobicContact CG1-CG2 4.05Å; V58-I75 HydrophobicContact CG2-CG2 4.15Å; V58-E77 HydrophobicContact CG1-CG 4.43Å; V58-E77 HydrophobicContact CG2-CG 4.23Å
59V98.2Very high97.7Very high11 Ų1130.6 Ų30.67%0.06717%0.173CC..Hα-helixtrans-59.5-43.3177.7173.90000111I33 Q39 I41 V53 L54 K62 L63I33-V59 HydrophobicContact CG2-CG1 3.55Å; Q39-V59 PolarHBondContact NE2-O 2.96Å; I41-V59 HydrophobicContact CD1-CG1 4.07Å; I41-V59 HydrophobicContact CG2-CG1 4.43Å; I41-V59 HydrophobicContact CG2-CG2 3.84Å; V53-V59 HydrophobicContact CG1-CG2 4.27Å; V53-V59 WeakPolarHBondContact O-CG2 3.42Å; L54-V59 HydrophobicContact CD2-CB 4.06Å; L54-V59 HydrophobicContact CD2-CG1 3.73Å; V59-K62 PolarHBondContact O-N 2.84Å; V59-L63 WeakPolarHBondContact O-CB 3.43Å; V59-L63 PolarHBondContact O-N 3.25Å
60L98.6Very high97.5Very high0 Ų032.5 Ų32.50%020%0.198CC..Hα-helixtrans-63.7-42.9177-64.4179.9000112L54 G57 V58 L63 A64 F91 F107 L112 L125L54-L60 HydrophobicContact CD2-CD2 3.92Å; L54-L60 HydrophobicContact CD2-CG 4.26Å; G57-L60 PolarHBondContact O-N 2.88Å; V58-L60 VanDerWaalsContact C-N 3.31Å; V58-L60 PolarHBondContact O-N 3.44Å; L60-L63 WeakPolarHBondContact O-CB 3.16Å; L60-L63 PolarHBondContact O-N 3.46Å; L60-A64 PolarHBondContact O-N 2.83Å; L60-F91 HydrophobicContact CB-CB 3.83Å; L60-F91 HydrophobicContact CB-CD1 4.15Å; L60-F91 HydrophobicContact CB-CD2 3.82Å; L60-F91 HydrophobicContact CB-CE2 4.43Å; L60-F91 HydrophobicContact CB-CG 3.65Å; L60-F91 HydrophobicContact CD1-CD1 3.96Å; L60-F91 HydrophobicContact CD1-CE1 4.47Å; L60-F91 HydrophobicContact CD1-CG 4.27Å; L60-F91 HydrophobicContact CD2-CD1 4.3Å; L60-F91 HydrophobicContact CD2-CE1 4.14Å; L60-F91 HydrophobicContact CD2-CE2 4.42Å; L60-F91 HydrophobicContact CD2-CZ 4.2Å; L60-F91 HydrophobicContact CG-CD1 4.38Å; L60-F91 HydrophobicContact CG-CG 4.37Å; L60-F91 VanDerWaalsContact O-CD2 3.27Å; L60-F91 WeakPolarHBondContact O-CD2 3.33Å; L60-F107 HydrophobicContact CD1-CZ 4.27Å; L60-L112 HydrophobicContact CD1-CD2 3.65Å; L60-L125 HydrophobicContact CD2-CD1 4.48Å; L60-L125 HydrophobicContact CD2-CD2 3.77Å
61C98.5Very high97.4Very high0 Ų034.4 Ų34.40%021%0.214CC..Hα-helixtrans-65.6-40.3177.5-73.90000112.6G57 V58 A64 N65 I72 I75 N87G57-C61 WeakPolarHBondContact O-CB 3.36Å; G57-C61 PolarHBondContact O-N 3.25Å; G57-C61 PolarHBondContact O-SG 3.26Å; V58-C61 PolarHBondContact O-N 3.43Å; C61-A64 WeakPolarHBondContact O-CB 3.39Å; C61-A64 PolarHBondContact O-N 2.94Å; C61-N65 PolarHBondContact O-N 3.44Å; C61-I72 HydrophobicContact CB-CD1 4.04Å; C61-I72 HydrophobicContact CB-CG2 4.27Å; C61-I75 HydrophobicContact CB-CB 4.41Å; C61-I75 HydrophobicContact CB-CD1 3.71Å; C61-I75 HydrophobicContact CB-CG1 3.78Å; C61-I75 HydrophobicContact CB-CG2 3.91Å; C61-N87 PolarHBondContact SG-O 3Å
62K98Very high97.4Very high77 Ų7733.8 Ų33.834%0.33521%0.211SC..Hα-helixtrans-67-38.9176-75.9171.6175.6175.90111.4Q39 V58 V59 A64 N65 A66 I75 E77Q39-K62 HydrophobicContact CG-CB 4.42Å; Q39-K62 HydrophobicContact CG-CD 4.16Å; V58-K62 HydrophobicContact CG1-CD 3.98Å; V58-K62 PolarHBondContact O-N 3.45Å; V59-K62 PolarHBondContact O-N 2.84Å; K62-A64 PolarHBondContact O-N 3.33Å; K62-N65 PolarHBondContact O-N 3.11Å; K62-A66 WeakPolarHBondContact O-CB 3.47Å; K62-A66 PolarHBondContact O-N 2.88Å; K62-I75 HydrophobicContact CG-CD1 3.82Å; K62-E77 IonicContact NZ-OE1 3.81Å
63L98.1Very high97.3Very high0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-56.7-48169.6174.868.6000111.9W32 I33 I36 V59 L60 N65 A66 L67 F91 L125W32-L63 HydrophobicContact CH2-CD1 3.9Å; W32-L63 HydrophobicContact CH2-CD2 4.49Å; W32-L63 HydrophobicContact CZ3-CD1 3.88Å; W32-L63 HydrophobicContact CZ3-CD2 4.03Å; I33-L63 HydrophobicContact CD1-CD2 4.3Å; I33-L63 HydrophobicContact CG1-CD1 4.33Å; I33-L63 HydrophobicContact CG1-CD2 3.93Å; I33-L63 HydrophobicContact CG2-CB 4.43Å; I33-L63 HydrophobicContact CG2-CD1 4.48Å; I36-L63 HydrophobicContact CB-CD1 4.2Å; I36-L63 HydrophobicContact CG2-CD1 3.91Å; V59-L63 WeakPolarHBondContact O-CB 3.43Å; V59-L63 PolarHBondContact O-N 3.25Å; L60-L63 WeakPolarHBondContact O-CB 3.16Å; L60-L63 PolarHBondContact O-N 3.46Å; L63-N65 VanDerWaalsContact C-N 3.32Å; L63-N65 PolarHBondContact O-N 2.99Å; L63-A66 PolarHBondContact O-N 3.38Å; L63-A66 VanDerWaalsContact O-N 3.15Å; L63-L67 HydrophobicContact CD1-CD1 4.41Å; L63-L67 HydrophobicContact CD1-CG 4.45Å; L63-L67 HydrophobicContact CG-CD1 4.31Å; L63-L67 WeakPolarHBondContact O-CG 3.04Å; L63-L67 PolarHBondContact O-N 3.05Å; L63-F91 HydrophobicContact CD2-CE2 4.05Å; L63-F91 HydrophobicContact CD2-CZ 4.48Å; L63-L125 HydrophobicContact CD2-CD2 4.09Å
64A98.4Very high97.1Very high0 Ų046.5 Ų46.50%025%0.245CC..Hα-helixtrans-58.7-43.9177.900000112.2L60 C61 K62 A66 L67 Q68 I72 F91 F94L60-A64 PolarHBondContact O-N 2.83Å; C61-A64 WeakPolarHBondContact O-CB 3.39Å; C61-A64 PolarHBondContact O-N 2.94Å; K62-A64 PolarHBondContact O-N 3.33Å; A64-A66 VanDerWaalsContact C-N 3.33Å; A64-A66 PolarHBondContact O-N 2.92Å; A64-L67 PolarHBondContact O-N 3.19Å; A64-Q68 PolarHBondContact O-N 2.86Å; A64-I72 HydrophobicContact CB-CD1 3.6Å; A64-I72 HydrophobicContact CB-CG1 4.2Å; A64-F91 HydrophobicContact CB-CD2 4.26Å; A64-F94 HydrophobicContact CB-CB 4.37Å; A64-F94 HydrophobicContact CB-CD1 3.37Å; A64-F94 HydrophobicContact CB-CD2 4.34Å; A64-F94 HydrophobicContact CB-CE1 3.62Å; A64-F94 HydrophobicContact CB-CG 3.76Å; A64-F94 HydrophobicContact CB-CZ 4.2Å
65N98.1Very high97.1Very high40 Ų4048.7 Ų48.721%0.21426%0.257CS..Hα-helixtrans-69.7-27.5176.9-78.6-23.5000113.6C61 K62 L63 Q68 P69 A71 I72C61-N65 PolarHBondContact O-N 3.44Å; K62-N65 PolarHBondContact O-N 3.11Å; L63-N65 VanDerWaalsContact C-N 3.32Å; L63-N65 PolarHBondContact O-N 2.99Å; N65-Q68 WeakPolarHBondContact CA-O 3.49Å; N65-Q68 CarbonylContact O-C 3.29Å; N65-Q68 VanDerWaalsContact O-C 3.29Å; N65-P69 WeakPolarHBondContact O-CA 3.19Å; N65-A71 PolarHBondContact OD1-N 2.95Å; N65-A71 VanDerWaalsContact OD1-N 3.14Å; N65-I72 PolarHBondContact ND2-O 3.47Å; N65-I72 PolarHBondContact OD1-N 2.81Å; N65-I72 PolarHBondContact OD1-O 2.58Å
66A97.1Very high97Very high26 Ų2645 Ų4522%0.21524%0.241CC..Hα-helixtrans-75.3-31.6174.300000112.8I36 K62 L63 A64 K137I36-A66 HydrophobicContact CG2-CB 4.17Å; I36-A66 WeakPolarHBondContact O-CB 3.44Å; K62-A66 WeakPolarHBondContact O-CB 3.47Å; K62-A66 PolarHBondContact O-N 2.88Å; L63-A66 PolarHBondContact O-N 3.38Å; L63-A66 VanDerWaalsContact O-N 3.15Å; A64-A66 VanDerWaalsContact C-N 3.33Å; A64-A66 PolarHBondContact O-N 2.92Å; A66-K137 WeakPolarHBondContact O-CE 3.46Å
67L96.7Very high96.9Very high6 Ų649.2 Ų49.23%0.03126%0.259CS..Hα-helixtrans-74.3-45.4171-69.2172.9000111.3W32 I36 L63 A64 F94 V128 A132 F135 K137W32-L67 HydrophobicContact CH2-CD1 4.47Å; W32-L67 HydrophobicContact CZ2-CD2 4.44Å; I36-L67 HydrophobicContact CG2-CD2 4.1Å; I36-L67 HydrophobicContact CG2-CG 4.46Å; L63-L67 HydrophobicContact CD1-CD1 4.41Å; L63-L67 HydrophobicContact CD1-CG 4.45Å; L63-L67 HydrophobicContact CG-CD1 4.31Å; L63-L67 WeakPolarHBondContact O-CG 3.04Å; L63-L67 PolarHBondContact O-N 3.05Å; A64-L67 PolarHBondContact O-N 3.19Å; L67-F94 HydrophobicContact CB-CE1 4.48Å; L67-F94 HydrophobicContact CB-CZ 3.99Å; L67-F94 HydrophobicContact CD1-CE1 4.06Å; L67-F94 HydrophobicContact CD1-CZ 4.32Å; L67-V128 HydrophobicContact CD1-CG1 3.61Å; L67-A132 HydrophobicContact CD2-CB 4.15Å; L67-F135 HydrophobicContact CB-CB 4.48Å; L67-F135 HydrophobicContact CB-CD1 4.47Å; L67-F135 HydrophobicContact CB-CD2 4.36Å; L67-F135 HydrophobicContact CB-CG 4.18Å; L67-F135 HydrophobicContact CD2-CB 4.37Å; L67-F135 HydrophobicContact CD2-CD2 4.31Å; L67-F135 WeakPolarHBondContact O-CB 3.31Å; L67-F135 WeakPolarHBondContact O-CD1 3.44Å; L67-K137 HydrophobicContact CD2-CB 4.1Å; L67-K137 HydrophobicContact CD2-CG 4.04Å
68Q96.5Very high96.8Very high88 Ų8852.4 Ų52.441%0.41128%0.278SS..SBendtrans-136.5104.7-179.5179.471.1-6.900109.6A64 N65 G70 A71 F94 F135A64-Q68 PolarHBondContact O-N 2.86Å; N65-Q68 WeakPolarHBondContact CA-O 3.49Å; N65-Q68 CarbonylContact O-C 3.29Å; N65-Q68 VanDerWaalsContact O-C 3.29Å; Q68-G70 PolarHBondContact O-N 3.02Å; Q68-A71 HydrophobicContact CB-CB 4.06Å; Q68-A71 HydrophobicContact CG-CB 4.21Å; Q68-A71 VanDerWaalsContact O-CB 3.24Å; Q68-A71 WeakPolarHBondContact O-CB 3.47Å; Q68-A71 PolarHBondContact O-N 3.29Å; Q68-F94 HydrophobicContact CB-CE2 3.74Å; Q68-F94 HydrophobicContact CB-CZ 4.15Å; Q68-F94 HydrophobicContact CG-CE2 4.46Å; Q68-F135 HydrophobicContact CB-CD1 4.27Å; Q68-F135 HydrophobicContact CB-CE1 4.17Å
69P95.8Very high96.6Very high109 Ų10961.5 Ų61.571%0.70832%0.317SS*.THydrogen-bonded Turntrans-53.4124.8179.5-28.936.1000112.1N65N65-P69 WeakPolarHBondContact O-CA 3.19Å
70G94.2Very high96.5Very high64 Ų6466 Ų6666%0.6634%0.338SS*.THydrogen-bonded Turntrans818.517900000115.6Q68 I72Q68-G70 PolarHBondContact O-N 3.02Å; G70-I72 VanDerWaalsContact C-N 3.31Å; G70-I72 PolarHBondContact O-N 2.95Å
71A96.3Very high96.4Very high39 Ų3968 Ų6832%0.32236%0.355SS..SBendtrans-56.2-42.5175.400000113.2N65 Q68 F94N65-A71 PolarHBondContact OD1-N 2.95Å; N65-A71 VanDerWaalsContact OD1-N 3.14Å; Q68-A71 HydrophobicContact CB-CB 4.06Å; Q68-A71 HydrophobicContact CG-CB 4.21Å; Q68-A71 VanDerWaalsContact O-CB 3.24Å; Q68-A71 WeakPolarHBondContact O-CB 3.47Å; Q68-A71 PolarHBondContact O-N 3.29Å; A71-F94 HydrophobicContact CB-CD2 3.51Å; A71-F94 HydrophobicContact CB-CE2 3.67Å; A71-F94 HydrophobicContact CB-CG 4.36Å
72I97.6Very high96.2Very high10 Ų1073.8 Ų73.85%0.05138%0.381CS..SBendtrans-121.4104.1178.5-61.7174.2000108.6C61 A64 N65 G70 I75 N90C61-I72 HydrophobicContact CB-CD1 4.04Å; C61-I72 HydrophobicContact CB-CG2 4.27Å; A64-I72 HydrophobicContact CB-CD1 3.6Å; A64-I72 HydrophobicContact CB-CG1 4.2Å; N65-I72 PolarHBondContact ND2-O 3.47Å; N65-I72 PolarHBondContact OD1-N 2.81Å; N65-I72 PolarHBondContact OD1-O 2.58Å; G70-I72 VanDerWaalsContact C-N 3.31Å; G70-I72 PolarHBondContact O-N 2.95Å; I72-I75 HydrophobicContact CG2-CG1 4.28Å; I72-N90 HydrophobicContact CD1-CB 3.93Å; I72-N90 HydrophobicContact CG1-CB 4.21Å; I72-N90 HydrophobicContact CG2-CB 4.02Å
73R93.8Very high96.2Very high238 Ų23872 Ų7290%0.89837%0.373SS*.SBendtrans-69.4-34.3-174.7-170.9176.167.295.6-2113.9
74K94.8Very high96.2Very high117 Ų11773.4 Ų73.451%0.50938%0.379SS..  trans-126.8116.7-176.2-175177.8-179.9177.80110.3N76K74-N76 WeakPolarHBondContact CE-OD1 3.43Å
75I97.2Very high96.2Very high47 Ų4776 Ų7624%0.24139%0.392CS..  trans-105.6125.4172.8-49.8-175.9000107.3V58 C61 K62 I72V58-I75 HydrophobicContact CB-CG2 4.31Å; V58-I75 HydrophobicContact CG1-CG2 4.05Å; V58-I75 HydrophobicContact CG2-CG2 4.15Å; C61-I75 HydrophobicContact CB-CB 4.41Å; C61-I75 HydrophobicContact CB-CD1 3.71Å; C61-I75 HydrophobicContact CB-CG1 3.78Å; C61-I75 HydrophobicContact CB-CG2 3.91Å; K62-I75 HydrophobicContact CG-CD1 3.82Å; I72-I75 HydrophobicContact CG2-CG1 4.28Å
76N96.7Very high96.2Very high10 Ų1077.2 Ų77.25%0.05340%0.396CS..  trans-95.9112.9-179-55.6-86.8000109.9K74 T78 K83 N87K74-N76 WeakPolarHBondContact CE-OD1 3.43Å; N76-T78 VanDerWaalsContact C-N 3.33Å; N76-K83 HydrophobicContact CB-CB 3.75Å; N76-K83 HydrophobicContact CB-CD 4.15Å; N76-K83 HydrophobicContact CB-CG 4.23Å; N76-K83 WeakPolarHBondContact OD1-CD 3.39Å; N76-N87 WeakPolarHBondContact CB-OD1 3.5Å; N76-N87 PolarHBondContact N-OD1 3.2Å; N76-N87 PolarHBondContact ND2-OD1 3.48Å; N76-N87 VanDerWaalsContact ND2-OD1 3.08Å; N76-N87 PolarHBondContact O-ND2 3.38Å
77E95.5Very high96.3Very high142 Ų14276 Ų7666%0.66439%0.386SS*.  trans-94.112.3179.4-59.1-173.9169.800113.1V58 K62V58-E77 HydrophobicContact CG1-CG 4.43Å; V58-E77 HydrophobicContact CG2-CG 4.23Å; K62-E77 IonicContact NZ-OE1 3.81Å
78T94.4Very high96.4Very high66 Ų6675.7 Ų75.741%0.40539%0.385SS..SBendtrans-79.6151.9-179.772.60000111.3N76 M80 K83N76-T78 VanDerWaalsContact C-N 3.33Å; T78-M80 PolarHBondContact O-N 3.36Å; T78-M80 VanDerWaalsContact O-N 3.08Å; T78-K83 WeakPolarHBondContact OG1-CB 3.28Å; T78-K83 WeakPolarHBondContact OG1-CG 3.2Å
79K93.8Very high96.5Very high201 Ų20174.8 Ų74.887%0.87438%0.383SS*.SBendtrans-73.68.3175.8-62.2-175.9178.7-176.80114.1
80M96.8Very high96.6Very high105 Ų10571.8 Ų71.852%0.51736%0.361SS..  trans-78.9125.3-176.6-65.8179-179.500110.2T78 F82 K83 Q84T78-M80 PolarHBondContact O-N 3.36Å; T78-M80 VanDerWaalsContact O-N 3.08Å; M80-F82 VanDerWaalsContact C-N 3.33Å; M80-F82 HydrophobicContact CB-CD1 3.97Å; M80-F82 HydrophobicContact CB-CE1 3.63Å; M80-F82 HydrophobicContact CB-CZ 4.28Å; M80-F82 HydrophobicContact CG-CE1 4.1Å; M80-F82 PolarHBondContact O-N 2.84Å; M80-F82 HydrophobicContact SD-CE1 3.62Å; M80-F82 HydrophobicContact SD-CZ 3.71Å; M80-K83 HydrophobicContact CB-CB 4.21Å; M80-K83 HydrophobicContact CB-CG 4.06Å; M80-K83 WeakPolarHBondContact O-CA 3.43Å; M80-K83 WeakPolarHBondContact O-CB 3.38Å; M80-K83 PolarHBondContact O-N 2.96Å; M80-Q84 PolarHBondContact O-N 2.94Å; M80-Q84 VanDerWaalsContact O-N 3.13Å
81A95.7Very high96.8Very high42 Ų4268.8 Ų68.835%0.34733%0.33SS..Hα-helixtrans-46.4-50.6-17800000114K83 Q84 M85 Y113A81-K83 PolarHBondContact O-N 3.47Å; A81-Q84 PolarHBondContact O-N 3.44Å; A81-M85 WeakPolarHBondContact O-CG 3.44Å; A81-M85 PolarHBondContact O-N 3.41Å; A81-Y113 WeakPolarHBondContact CA-OH 3.28Å; A81-Y113 HydrophobicContact CB-CE2 4.43Å; A81-Y113 WeakPolarHBondContact CB-OH 3.19Å
82F95.9Very high96.9Very high122 Ų12267.6 Ų67.654%0.53532%0.318SS..Hα-helixtrans-65.9-26.7-178.471.2-87.6000113M80 E86M80-F82 VanDerWaalsContact C-N 3.33Å; M80-F82 HydrophobicContact CB-CD1 3.97Å; M80-F82 HydrophobicContact CB-CE1 3.63Å; M80-F82 HydrophobicContact CB-CZ 4.28Å; M80-F82 HydrophobicContact CG-CE1 4.1Å; M80-F82 PolarHBondContact O-N 2.84Å; M80-F82 HydrophobicContact SD-CE1 3.62Å; M80-F82 HydrophobicContact SD-CZ 3.71Å; F82-E86 VanDerWaalsContact O-CB 3.29Å; F82-E86 WeakPolarHBondContact O-CB 3.3Å; F82-E86 PolarHBondContact O-N 2.92Å
83K97.8Very high96.9Very high39 Ų3971.7 Ų71.717%0.1734%0.34CS..Hα-helixtrans-76.1-37175.5-71.4-48.1-162.9179.50112.7N76 T78 M80 A81 E86 N87N76-K83 HydrophobicContact CB-CB 3.75Å; N76-K83 HydrophobicContact CB-CD 4.15Å; N76-K83 HydrophobicContact CB-CG 4.23Å; N76-K83 WeakPolarHBondContact OD1-CD 3.39Å; T78-K83 WeakPolarHBondContact OG1-CB 3.28Å; T78-K83 WeakPolarHBondContact OG1-CG 3.2Å; M80-K83 HydrophobicContact CB-CB 4.21Å; M80-K83 HydrophobicContact CB-CG 4.06Å; M80-K83 WeakPolarHBondContact O-CA 3.43Å; M80-K83 WeakPolarHBondContact O-CB 3.38Å; M80-K83 PolarHBondContact O-N 2.96Å; A81-K83 PolarHBondContact O-N 3.47Å; K83-E86 VanDerWaalsContact CD-OE2 3.23Å; K83-E86 WeakPolarHBondContact CD-OE2 3.43Å; K83-E86 IonicContact NZ-OE1 3.82Å; K83-E86 IonicContact NZ-OE2 2.68Å; K83-E86 PolarHBondContact NZ-OE2 2.81Å; K83-E86 WeakPolarHBondContact O-CB 3.49Å; K83-E86 PolarHBondContact O-N 3.27Å; K83-N87 PolarHBondContact O-N 3.44Å
84Q98Very high97.1Very high30 Ų3060.7 Ų60.714%0.1430%0.298CS..Hα-helixtrans-66.1-45.7172.4-65.5-176.3-20.900110.7D56 M80 A81 E86 N87 I88 Y113D56-Q84 HydrophobicContact CB-CG 3.86Å; D56-Q84 WeakPolarHBondContact O-CA 3.48Å; M80-Q84 PolarHBondContact O-N 2.94Å; M80-Q84 VanDerWaalsContact O-N 3.13Å; A81-Q84 PolarHBondContact O-N 3.44Å; Q84-E86 VanDerWaalsContact C-N 3.31Å; Q84-E86 PolarHBondContact O-N 2.61Å; Q84-N87 WeakPolarHBondContact O-CB 3.38Å; Q84-N87 PolarHBondContact O-N 3.13Å; Q84-I88 WeakPolarHBondContact O-CG1 3.36Å; Q84-I88 PolarHBondContact O-N 3.45Å; Q84-I88 VanDerWaalsContact O-N 3.08Å; Q84-Y113 HydrophobicContact CB-CD2 4.19Å; Q84-Y113 HydrophobicContact CB-CE2 3.92Å; Q84-Y113 VanDerWaalsContact OE1-CE2 3.32Å
85M97.7Very high97.3Very high56 Ų5655.1 Ų55.128%0.27627%0.274SS..Hα-helixtrans-60.7-37.2173.3-68.9-176.6179.100112.8A81 I88 N89 T109 Y113A81-M85 WeakPolarHBondContact O-CG 3.44Å; A81-M85 PolarHBondContact O-N 3.41Å; M85-I88 PolarHBondContact O-N 3.08Å; M85-N89 WeakPolarHBondContact O-CB 3.48Å; M85-N89 PolarHBondContact O-N 2.94Å; M85-N89 PolarHBondContact O-ND2 3.14Å; M85-T109 HydrophobicContact CB-CG2 3.71Å; M85-T109 HydrophobicContact CG-CG2 3.7Å; M85-Y113 HydrophobicContact CE-CD1 3.22Å; M85-Y113 HydrophobicContact CE-CD2 4.44Å; M85-Y113 HydrophobicContact CE-CE1 3.43Å; M85-Y113 VanDerWaalsContact CE-CE1 3.43Å; M85-Y113 HydrophobicContact CE-CG 3.8Å; M85-Y113 HydrophobicContact CG-CD1 4.41Å; M85-Y113 HydrophobicContact CG-CD2 4.05Å; M85-Y113 HydrophobicContact CG-CE2 4.42Å; M85-Y113 HydrophobicContact CG-CG 4.04Å
86E98.2Very high97.3Very high64 Ų6456.9 Ų56.930%0.29928%0.282SS..Hα-helixtrans-62.4-43.7174.2-173-175.7158.700111.5F82 K83 Q84 N89 N90F82-E86 VanDerWaalsContact O-CB 3.29Å; F82-E86 WeakPolarHBondContact O-CB 3.3Å; F82-E86 PolarHBondContact O-N 2.92Å; K83-E86 VanDerWaalsContact CD-OE2 3.23Å; K83-E86 WeakPolarHBondContact CD-OE2 3.43Å; K83-E86 IonicContact NZ-OE1 3.82Å; K83-E86 IonicContact NZ-OE2 2.68Å; K83-E86 PolarHBondContact NZ-OE2 2.81Å; K83-E86 WeakPolarHBondContact O-CB 3.49Å; K83-E86 PolarHBondContact O-N 3.27Å; Q84-E86 VanDerWaalsContact C-N 3.31Å; Q84-E86 PolarHBondContact O-N 2.61Å; E86-N89 PolarHBondContact O-N 3.21Å; E86-N90 PolarHBondContact O-N 3.38Å; E86-N90 PolarHBondContact O-ND2 2.92Å
87N98.6Very high97.3Very high0 Ų061 Ų610%031%0.311CS..Hα-helixtrans-60.3-47.3175.2-68.4-17.5000112D56 C61 N76 K83 Q84 N89 N90 F91D56-N87 WeakPolarHBondContact O-CB 3.4Å; D56-N87 PolarHBondContact O-ND2 2.98Å; C61-N87 PolarHBondContact SG-O 3Å; N76-N87 WeakPolarHBondContact CB-OD1 3.5Å; N76-N87 PolarHBondContact N-OD1 3.2Å; N76-N87 PolarHBondContact ND2-OD1 3.48Å; N76-N87 VanDerWaalsContact ND2-OD1 3.08Å; N76-N87 PolarHBondContact O-ND2 3.38Å; K83-N87 PolarHBondContact O-N 3.44Å; Q84-N87 WeakPolarHBondContact O-CB 3.38Å; Q84-N87 PolarHBondContact O-N 3.13Å; N87-N89 VanDerWaalsContact C-N 3.33Å; N87-N89 PolarHBondContact O-N 3.36Å; N87-N90 WeakPolarHBondContact O-CB 3.5Å; N87-N90 PolarHBondContact O-N 2.93Å; N87-N90 VanDerWaalsContact O-N 3.15Å; N87-F91 PolarHBondContact O-N 3.4Å
88I98.7Very high97.4Very high0 Ų057.4 Ų57.40%030%0.299CS..Hα-helixtrans-59-46.4178.3-63.7167.7000110.3Q84 M85 N90 F91 L92 F107 T109 L112Q84-I88 WeakPolarHBondContact O-CG1 3.36Å; Q84-I88 PolarHBondContact O-N 3.45Å; Q84-I88 VanDerWaalsContact O-N 3.08Å; M85-I88 PolarHBondContact O-N 3.08Å; I88-N90 VanDerWaalsContact C-N 3.32Å; I88-N90 PolarHBondContact O-N 2.96Å; I88-F91 WeakPolarHBondContact O-CB 3Å; I88-F91 PolarHBondContact O-N 2.95Å; I88-L92 HydrophobicContact CG2-CD1 4.1Å; I88-L92 HydrophobicContact CG2-CG 4.4Å; I88-L92 WeakPolarHBondContact O-CG 3.21Å; I88-L92 PolarHBondContact O-N 3.31Å; I88-F107 HydrophobicContact CG2-CE2 3.62Å; I88-F107 HydrophobicContact CG2-CZ 3.97Å; I88-T109 HydrophobicContact CB-CG2 4.09Å; I88-T109 HydrophobicContact CD1-CG2 4.15Å; I88-T109 HydrophobicContact CG2-CG2 4.07Å; I88-L112 HydrophobicContact CD1-CB 4.33Å; I88-L112 HydrophobicContact CD1-CD2 3.91Å; I88-L112 HydrophobicContact CD1-CG 4.08Å; I88-L112 HydrophobicContact CG1-CD2 4.01Å; I88-L112 HydrophobicContact CG2-CD2 4.45Å
89N98.2Very high97.5Very high70 Ų7054.3 Ų54.337%0.37428%0.28SS..Hα-helixtrans-61.4-38.7176.6-77.7-51.5000112.6M85 E86 N87 F91 L92 N93 T109M85-N89 WeakPolarHBondContact O-CB 3.48Å; M85-N89 PolarHBondContact O-N 2.94Å; M85-N89 PolarHBondContact O-ND2 3.14Å; E86-N89 PolarHBondContact O-N 3.21Å; N87-N89 VanDerWaalsContact C-N 3.33Å; N87-N89 PolarHBondContact O-N 3.36Å; N89-F91 VanDerWaalsContact C-N 3.33Å; N89-F91 PolarHBondContact O-N 2.93Å; N89-L92 PolarHBondContact O-N 3.43Å; N89-N93 WeakPolarHBondContact O-CB 3.48Å; N89-N93 VanDerWaalsContact O-CG 3.26Å; N89-N93 PolarHBondContact O-N 3.03Å; N89-N93 PolarHBondContact O-ND2 2.94Å; N89-T109 PolarHBondContact OD1-OG1 3.28Å
90N98.6Very high97.6Very high46 Ų4646.5 Ų46.525%0.24626%0.257CS..Hα-helixtrans-62-41.7175.8-70.3-26.2000111.7I72 E86 N87 I88 F94I72-N90 HydrophobicContact CD1-CB 3.93Å; I72-N90 HydrophobicContact CG1-CB 4.21Å; I72-N90 HydrophobicContact CG2-CB 4.02Å; E86-N90 PolarHBondContact O-N 3.38Å; E86-N90 PolarHBondContact O-ND2 2.92Å; N87-N90 WeakPolarHBondContact O-CB 3.5Å; N87-N90 PolarHBondContact O-N 2.93Å; N87-N90 VanDerWaalsContact O-N 3.15Å; I88-N90 VanDerWaalsContact C-N 3.32Å; I88-N90 PolarHBondContact O-N 2.96Å; N90-F94 PolarHBondContact O-N 3.48Å; N90-F94 VanDerWaalsContact O-N 3.13Å
91F98.7Very high97.6Very high0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-63.9-45.4173.5172.5-99.9000112.4L60 L63 A64 N87 I88 N89 N93 F94 A95 F107 L125 V128L60-F91 HydrophobicContact CB-CB 3.83Å; L60-F91 HydrophobicContact CB-CD1 4.15Å; L60-F91 HydrophobicContact CB-CD2 3.82Å; L60-F91 HydrophobicContact CB-CE2 4.43Å; L60-F91 HydrophobicContact CB-CG 3.65Å; L60-F91 HydrophobicContact CD1-CD1 3.96Å; L60-F91 HydrophobicContact CD1-CE1 4.47Å; L60-F91 HydrophobicContact CD1-CG 4.27Å; L60-F91 HydrophobicContact CD2-CD1 4.3Å; L60-F91 HydrophobicContact CD2-CE1 4.14Å; L60-F91 HydrophobicContact CD2-CE2 4.42Å; L60-F91 HydrophobicContact CD2-CZ 4.2Å; L60-F91 HydrophobicContact CG-CD1 4.38Å; L60-F91 HydrophobicContact CG-CG 4.37Å; L60-F91 VanDerWaalsContact O-CD2 3.27Å; L60-F91 WeakPolarHBondContact O-CD2 3.33Å; L63-F91 HydrophobicContact CD2-CE2 4.05Å; L63-F91 HydrophobicContact CD2-CZ 4.48Å; A64-F91 HydrophobicContact CB-CD2 4.26Å; N87-F91 PolarHBondContact O-N 3.4Å; I88-F91 WeakPolarHBondContact O-CB 3Å; I88-F91 PolarHBondContact O-N 2.95Å; N89-F91 VanDerWaalsContact C-N 3.33Å; N89-F91 PolarHBondContact O-N 2.93Å; F91-N93 VanDerWaalsContact C-N 3.32Å; F91-N93 PolarHBondContact O-N 2.85Å; F91-F94 HydrophobicContact CD2-CD1 4.49Å; F91-F94 WeakPolarHBondContact O-CB 3.36Å; F91-F94 PolarHBondContact O-N 2.91Å; F91-F94 VanDerWaalsContact O-N 3.14Å; F91-A95 HydrophobicContact CE1-CB 4.38Å; F91-A95 HydrophobicContact CZ-CB 4.45Å; F91-A95 WeakPolarHBondContact O-CB 3.4Å; F91-A95 PolarHBondContact O-N 3.37Å; F91-F107 HydrophobicContact CD1-CE1 4.34Å; F91-F107 HydrophobicContact CD1-CZ 4.41Å; F91-F107 HydrophobicContact CE1-CE1 4.14Å; F91-L125 HydrophobicContact CE1-CD2 4.34Å; F91-L125 HydrophobicContact CZ-CD2 3.84Å; F91-V128 HydrophobicContact CZ-CG2 4.06Å
92L98.6Very high97.6Very high14 Ų1442.1 Ų42.17%0.07323%0.232CC..Hα-helixtrans-58.8-44.2178.5-71.6173.3000111.8I88 N89 F94 A95 E96 F107I88-L92 HydrophobicContact CG2-CD1 4.1Å; I88-L92 HydrophobicContact CG2-CG 4.4Å; I88-L92 WeakPolarHBondContact O-CG 3.21Å; I88-L92 PolarHBondContact O-N 3.31Å; N89-L92 PolarHBondContact O-N 3.43Å; L92-F94 VanDerWaalsContact C-N 3.33Å; L92-F94 PolarHBondContact O-N 2.92Å; L92-A95 PolarHBondContact O-N 3.45Å; L92-E96 PolarHBondContact O-N 3.28Å; L92-F107 HydrophobicContact CD1-CE2 4.38Å; L92-F107 VanDerWaalsContact CD1-O 3.26Å; L92-F107 WeakPolarHBondContact CD1-O 3.3Å; L92-F107 HydrophobicContact CD2-CD1 3.56Å; L92-F107 HydrophobicContact CD2-CD2 4.23Å; L92-F107 HydrophobicContact CD2-CE1 3.42Å; L92-F107 VanDerWaalsContact CD2-CE1 3.42Å; L92-F107 HydrophobicContact CD2-CE2 4.09Å; L92-F107 HydrophobicContact CD2-CG 3.97Å; L92-F107 HydrophobicContact CD2-CZ 3.69Å; L92-F107 WeakPolarHBondContact CD2-O 3.44Å; L92-F107 HydrophobicContact CG-CE1 4.39Å; L92-F107 HydrophobicContact CG-CE2 4.45Å; L92-F107 HydrophobicContact CG-CZ 4.2Å
93N98.1Very high97.5Very high96 Ų9643.9 Ų43.951%0.51324%0.24SC..Hα-helixtrans-60.3-43175.5-71.6-29.4000111.7N89 F91 S97N89-N93 WeakPolarHBondContact O-CB 3.48Å; N89-N93 VanDerWaalsContact O-CG 3.26Å; N89-N93 PolarHBondContact O-N 3.03Å; N89-N93 PolarHBondContact O-ND2 2.94Å; F91-N93 VanDerWaalsContact C-N 3.32Å; F91-N93 PolarHBondContact O-N 2.85Å; N93-S97 VanDerWaalsContact O-CB 3.3Å; N93-S97 WeakPolarHBondContact O-CB 3.48Å; N93-S97 PolarHBondContact O-N 2.97Å; N93-S97 PolarHBondContact O-OG 3.33Å
94F98.3Very high97.4Very high7 Ų747.3 Ų47.33%0.03127%0.268CS..Hα-helixtrans-63.9-45.4175166.4-99.6000112.3A64 L67 Q68 A71 N90 F91 L92 E96 V98 V99 F135A64-F94 HydrophobicContact CB-CB 4.37Å; A64-F94 HydrophobicContact CB-CD1 3.37Å; A64-F94 HydrophobicContact CB-CD2 4.34Å; A64-F94 HydrophobicContact CB-CE1 3.62Å; A64-F94 HydrophobicContact CB-CG 3.76Å; A64-F94 HydrophobicContact CB-CZ 4.2Å; L67-F94 HydrophobicContact CB-CE1 4.48Å; L67-F94 HydrophobicContact CB-CZ 3.99Å; L67-F94 HydrophobicContact CD1-CE1 4.06Å; L67-F94 HydrophobicContact CD1-CZ 4.32Å; Q68-F94 HydrophobicContact CB-CE2 3.74Å; Q68-F94 HydrophobicContact CB-CZ 4.15Å; Q68-F94 HydrophobicContact CG-CE2 4.46Å; A71-F94 HydrophobicContact CB-CD2 3.51Å; A71-F94 HydrophobicContact CB-CE2 3.67Å; A71-F94 HydrophobicContact CB-CG 4.36Å; N90-F94 PolarHBondContact O-N 3.48Å; N90-F94 VanDerWaalsContact O-N 3.13Å; F91-F94 HydrophobicContact CD2-CD1 4.49Å; F91-F94 WeakPolarHBondContact O-CB 3.36Å; F91-F94 PolarHBondContact O-N 2.91Å; F91-F94 VanDerWaalsContact O-N 3.14Å; L92-F94 VanDerWaalsContact C-N 3.33Å; L92-F94 PolarHBondContact O-N 2.92Å; F94-E96 VanDerWaalsContact C-N 3.34Å; F94-E96 PolarHBondContact O-N 3.25Å; F94-V98 HydrophobicContact CD2-CB 3.64Å; F94-V98 HydrophobicContact CD2-CG1 4.11Å; F94-V98 HydrophobicContact CD2-CG2 3.76Å; F94-V98 HydrophobicContact CE2-CB 3.67Å; F94-V98 HydrophobicContact CE2-CG1 3.64Å; F94-V98 HydrophobicContact CE2-CG2 4.17Å; F94-V98 HydrophobicContact CZ-CG1 4.49Å; F94-V98 WeakPolarHBondContact O-CA 3.47Å; F94-V98 WeakPolarHBondContact O-CB 3.24Å; F94-V98 PolarHBondContact O-N 3.35Å; F94-V99 HydrophobicContact CD1-CG2 3.97Å; F94-V99 HydrophobicContact CE1-CG2 3.36Å; F94-V99 HydrophobicContact CE2-CG2 4.36Å; F94-V99 HydrophobicContact CZ-CG2 3.6Å; F94-V99 PolarHBondContact O-N 3.39Å; F94-F135 HydrophobicContact CZ-CZ 4.44Å
95A98.4Very high97.3Very high0 Ų047.8 Ų47.80%027%0.271CS..Iπ-helixtrans-60-44179.100000111.3F91 L92 V99 G100 V101 V128F91-A95 HydrophobicContact CE1-CB 4.38Å; F91-A95 HydrophobicContact CZ-CB 4.45Å; F91-A95 WeakPolarHBondContact O-CB 3.4Å; F91-A95 PolarHBondContact O-N 3.37Å; L92-A95 PolarHBondContact O-N 3.45Å; A95-V99 WeakPolarHBondContact O-CB 3.5Å; A95-G100 PolarHBondContact O-N 3.32Å; A95-V101 HydrophobicContact CB-CB 4.29Å; A95-V101 HydrophobicContact CB-CG2 4.01Å; A95-V101 WeakPolarHBondContact O-CB 3.46Å; A95-V101 WeakPolarHBondContact O-CG2 3.09Å; A95-V101 PolarHBondContact O-N 2.92Å; A95-V128 HydrophobicContact CB-CG2 4.1Å
96E97.6Very high97.3Very high85 Ų8546.7 Ų46.740%0.39727%0.269SS..Iπ-helixtrans-71.8-52.7178.1-173.5172.917400112L92 F94 G100 K103L92-E96 PolarHBondContact O-N 3.28Å; F94-E96 VanDerWaalsContact C-N 3.34Å; F94-E96 PolarHBondContact O-N 3.25Å; E96-G100 WeakPolarHBondContact O-CA 3.44Å; E96-K103 WeakPolarHBondContact OE1-CE 3.48Å; E96-K103 IonicContact OE1-NZ 3.88Å
97S96.7Very high97.3Very high97 Ų9744 Ų4468%0.67826%0.256SS*.Iπ-helixtrans-83.9-28.5-168.164.90000115.2N93N93-S97 VanDerWaalsContact O-CB 3.3Å; N93-S97 WeakPolarHBondContact O-CB 3.48Å; N93-S97 PolarHBondContact O-N 2.97Å; N93-S97 PolarHBondContact O-OG 3.33Å
98V97.2Very high97.2Very high66 Ų6650 Ų5040%0.429%0.285SS..Iπ-helixtrans-109.1-47.7-175-174.10000111.4F94 F135F94-V98 HydrophobicContact CD2-CB 3.64Å; F94-V98 HydrophobicContact CD2-CG1 4.11Å; F94-V98 HydrophobicContact CD2-CG2 3.76Å; F94-V98 HydrophobicContact CE2-CB 3.67Å; F94-V98 HydrophobicContact CE2-CG1 3.64Å; F94-V98 HydrophobicContact CE2-CG2 4.17Å; F94-V98 HydrophobicContact CZ-CG1 4.49Å; F94-V98 WeakPolarHBondContact O-CA 3.47Å; F94-V98 WeakPolarHBondContact O-CB 3.24Å; F94-V98 PolarHBondContact O-N 3.35Å; V98-F135 HydrophobicContact CG1-CE1 3.94Å; V98-F135 HydrophobicContact CG1-CZ 4.04Å
99V96.7Very high97.2Very high0 Ų050.9 Ų50.90%029%0.291CS..Iπ-helixtrans-75.5-34.4179.4-175.60000111.1F94 A95 V101 V128 K131 K134 F135F94-V99 HydrophobicContact CD1-CG2 3.97Å; F94-V99 HydrophobicContact CE1-CG2 3.36Å; F94-V99 HydrophobicContact CE2-CG2 4.36Å; F94-V99 HydrophobicContact CZ-CG2 3.6Å; F94-V99 PolarHBondContact O-N 3.39Å; A95-V99 WeakPolarHBondContact O-CB 3.5Å; V99-V101 HydrophobicContact CB-CG2 4.31Å; V99-V101 HydrophobicContact CG1-CG2 4.1Å; V99-V128 HydrophobicContact CG1-CB 4.49Å; V99-V128 HydrophobicContact CG1-CG1 4.36Å; V99-V128 HydrophobicContact CG1-CG2 4.39Å; V99-V128 HydrophobicContact CG2-CG1 4.44Å; V99-K131 HydrophobicContact CG1-CB 3.66Å; V99-K131 HydrophobicContact CG1-CD 4.11Å; V99-K134 PolarHBondContact O-NZ 2.94Å; V99-F135 HydrophobicContact CB-CE2 4.33Å; V99-F135 HydrophobicContact CB-CZ 4.43Å; V99-F135 HydrophobicContact CG1-CE2 4.22Å; V99-F135 HydrophobicContact CG2-CE2 3.94Å; V99-F135 HydrophobicContact CG2-CZ 3.94Å
100G95.4Very high97Very high38 Ų3849.1 Ų49.139%0.39228%0.283SS..  trans82.936.7-176.100000112.5A95 E96 K131A95-G100 PolarHBondContact O-N 3.32Å; E96-G100 WeakPolarHBondContact O-CA 3.44Å; G100-K131 VanDerWaalsContact O-CE 3.27Å; G100-K131 WeakPolarHBondContact O-CE 3.37Å
101V96.4Very high96.9Very high3 Ų347.6 Ų47.62%0.01828%0.275CS..  trans-66.7124169.8176.50000108.2A95 V99 E105 V128A95-V101 HydrophobicContact CB-CB 4.29Å; A95-V101 HydrophobicContact CB-CG2 4.01Å; A95-V101 WeakPolarHBondContact O-CB 3.46Å; A95-V101 WeakPolarHBondContact O-CG2 3.09Å; A95-V101 PolarHBondContact O-N 2.92Å; V99-V101 HydrophobicContact CB-CG2 4.31Å; V99-V101 HydrophobicContact CG1-CG2 4.1Å; V101-E105 HydrophobicContact CG1-CB 4.01Å; V101-V128 HydrophobicContact CG2-CG2 3.57Å
102P95.5Very high96.9Very high52 Ų5247.7 Ų47.734%0.33828%0.275SS..  trans-68.115117929.4-34.7000110.5S104 E105 S106P102-S104 PolarHBondContact O-N 3.43Å; P102-E105 WeakPolarHBondContact CD-OE2 3.38Å; P102-E105 HydrophobicContact CG-CB 3.99Å; P102-E105 HydrophobicContact CG-CG 3.85Å; P102-E105 WeakPolarHBondContact CG-OE2 3.42Å; P102-E105 CarbonylContact O-C 3.6Å; P102-E105 PolarHBondContact O-N 2.74Å; P102-S106 PolarHBondContact O-N 3.28Å
103K95Very high96.8Very high159 Ų15949.1 Ų49.169%0.69128%0.28SS*.G310 helixtrans-54.6-30.3178.1-69.6-174.4172.6-177.70113.8E96 E105 S106E96-K103 WeakPolarHBondContact OE1-CE 3.48Å; E96-K103 IonicContact OE1-NZ 3.88Å; K103-E105 PolarHBondContact O-N 3.06Å; K103-S106 PolarHBondContact O-N 2.5Å
104S95.2Very high96.7Very high110 Ų11048.4 Ų48.477%0.76927%0.273SS*.G310 helixtrans-67.4-20.1176.356.10000114.2P102P102-S104 PolarHBondContact O-N 3.43Å
105E96.2Very high96.5Very high41 Ų4149 Ų4919%0.19228%0.28CS..G310 helixtrans-109.62176.5-63.7-178.8154.900111.7V101 P102 K103 I123 C124 S127 R130 K131V101-E105 HydrophobicContact CG1-CB 4.01Å; P102-E105 WeakPolarHBondContact CD-OE2 3.38Å; P102-E105 HydrophobicContact CG-CB 3.99Å; P102-E105 HydrophobicContact CG-CG 3.85Å; P102-E105 WeakPolarHBondContact CG-OE2 3.42Å; P102-E105 CarbonylContact O-C 3.6Å; P102-E105 PolarHBondContact O-N 2.74Å; K103-E105 PolarHBondContact O-N 3.06Å; E105-I123 HydrophobicContact CB-CG2 3.86Å; E105-I123 HydrophobicContact CG-CG2 3.93Å; E105-C124 WeakPolarHBondContact O-CA 3.18Å; E105-C124 WeakPolarHBondContact O-CB 3.41Å; E105-C124 PolarHBondContact O-N 2.97Å; E105-S127 WeakPolarHBondContact OE2-CB 3.42Å; E105-S127 PolarHBondContact OE2-OG 2.92Å; E105-R130 VanDerWaalsContact CD-NH2 3.33Å; E105-R130 IonicContact OE1-CZ 3.28Å; E105-R130 IonicContact OE1-NH2 3.74Å; E105-R130 PolarHBondContact OE1-NH2 3.19Å; E105-R130 IonicContact OE2-NH2 3.88Å; E105-R130 PolarHBondContact OE2-NH2 3.26Å; E105-K131 IonicContact OE2-NZ 3.45Å
106S96.7Very high96.2Very high33 Ų3352 Ų5223%0.23129%0.294CS..  trans-83.2161.6174.3-163.50000110.7P102 K103P102-S106 PolarHBondContact O-N 3.28Å; K103-S106 PolarHBondContact O-N 2.5Å
107F97.9Very high96.1Very high8 Ų849.6 Ų49.64%0.03528%0.283CS..  trans-123.3160.5177.869.3-87.2000111.1L60 I88 F91 L92 D111 L112 S120 V121 C124L60-F107 HydrophobicContact CD1-CZ 4.27Å; I88-F107 HydrophobicContact CG2-CE2 3.62Å; I88-F107 HydrophobicContact CG2-CZ 3.97Å; F91-F107 HydrophobicContact CD1-CE1 4.34Å; F91-F107 HydrophobicContact CD1-CZ 4.41Å; F91-F107 HydrophobicContact CE1-CE1 4.14Å; L92-F107 HydrophobicContact CD1-CE2 4.38Å; L92-F107 VanDerWaalsContact CD1-O 3.26Å; L92-F107 WeakPolarHBondContact CD1-O 3.3Å; L92-F107 HydrophobicContact CD2-CD1 3.56Å; L92-F107 HydrophobicContact CD2-CD2 4.23Å; L92-F107 HydrophobicContact CD2-CE1 3.42Å; L92-F107 VanDerWaalsContact CD2-CE1 3.42Å; L92-F107 HydrophobicContact CD2-CE2 4.09Å; L92-F107 HydrophobicContact CD2-CG 3.97Å; L92-F107 HydrophobicContact CD2-CZ 3.69Å; L92-F107 WeakPolarHBondContact CD2-O 3.44Å; L92-F107 HydrophobicContact CG-CE1 4.39Å; L92-F107 HydrophobicContact CG-CE2 4.45Å; L92-F107 HydrophobicContact CG-CZ 4.2Å; F107-D111 HydrophobicContact CB-CB 4.31Å; F107-D111 HydrophobicContact CD2-CB 4.37Å; F107-L112 HydrophobicContact CD2-CB 4.29Å; F107-L112 HydrophobicContact CE2-CB 3.77Å; F107-L112 HydrophobicContact CE2-CD2 4.07Å; F107-L112 HydrophobicContact CZ-CD2 4.18Å; F107-S120 VanDerWaalsContact CB-OG 3.28Å; F107-S120 WeakPolarHBondContact CB-OG 3.27Å; F107-V121 HydrophobicContact CB-CG2 4.39Å; F107-V121 HydrophobicContact CD1-CB 4.39Å; F107-V121 HydrophobicContact CD1-CG1 4.38Å; F107-V121 HydrophobicContact CD1-CG2 4.38Å; F107-V121 HydrophobicContact CD2-CG2 3.75Å; F107-V121 HydrophobicContact CE1-CG1 4.05Å; F107-V121 HydrophobicContact CE2-CG1 4.45Å; F107-V121 HydrophobicContact CE2-CG2 4.08Å; F107-V121 HydrophobicContact CG-CB 4.41Å; F107-V121 HydrophobicContact CG-CG2 3.94Å; F107-V121 HydrophobicContact CZ-CG1 4.11Å; F107-C124 HydrophobicContact CD1-CB 3.5Å; F107-C124 HydrophobicContact CE1-CB 4.01Å
108M97.3Very high96.1Very high125 Ų12545 Ų4562%0.61625%0.251SS*.  trans-89.5149.2173.7-62.5-177.263.100110.5V110 D111M108-V110 HydrophobicContact CB-CG2 3.96Å; M108-V110 HydrophobicContact CE-CG2 4.49Å; M108-V110 PolarHBondContact O-N 3.45Å; M108-D111 PolarHBondContact N-OD2 2.88Å; M108-D111 VanDerWaalsContact O-CB 3.24Å; M108-D111 WeakPolarHBondContact O-CB 3.4Å; M108-D111 PolarHBondContact O-N 2.71Å
109T97.7Very high96Very high19 Ų1942.7 Ų42.712%0.11724%0.237CC..Hα-helixtrans-51.7-33.4179.2-57.20000114.2M85 I88 N89 D111 Y113M85-T109 HydrophobicContact CB-CG2 3.71Å; M85-T109 HydrophobicContact CG-CG2 3.7Å; I88-T109 HydrophobicContact CB-CG2 4.09Å; I88-T109 HydrophobicContact CD1-CG2 4.15Å; I88-T109 HydrophobicContact CG2-CG2 4.07Å; N89-T109 PolarHBondContact OD1-OG1 3.28Å; T109-D111 VanDerWaalsContact C-N 3.33Å; T109-D111 PolarHBondContact O-N 2.89Å; T109-Y113 WeakPolarHBondContact O-CB 3.1Å; T109-Y113 PolarHBondContact O-N 3.4Å
110V95.7Very high96.1Very high33 Ų3343.4 Ų43.420%0.224%0.242CC..Hα-helixtrans-68.8-27.3176.2-63.70000113.6M108 L112 E114M108-V110 HydrophobicContact CB-CG2 3.96Å; M108-V110 HydrophobicContact CE-CG2 4.49Å; M108-V110 PolarHBondContact O-N 3.45Å; V110-L112 VanDerWaalsContact C-N 3.25Å; V110-L112 PolarHBondContact O-N 3.3Å; V110-E114 WeakPolarHBondContact O-CA 3.04Å; V110-E114 WeakPolarHBondContact O-CB 3.28Å; V110-E114 PolarHBondContact O-N 3.36Å
111D96.8Very high96.2Very high14 Ų1441.6 Ų41.68%0.07522%0.223CC..Hα-helixtrans-63.9-35.7179.9-62.2-24.3000111.3F107 M108 T109 A115 Q116 D117 S120 V121F107-D111 HydrophobicContact CB-CB 4.31Å; F107-D111 HydrophobicContact CD2-CB 4.37Å; M108-D111 PolarHBondContact N-OD2 2.88Å; M108-D111 VanDerWaalsContact O-CB 3.24Å; M108-D111 WeakPolarHBondContact O-CB 3.4Å; M108-D111 PolarHBondContact O-N 2.71Å; T109-D111 VanDerWaalsContact C-N 3.33Å; T109-D111 PolarHBondContact O-N 2.89Å; D111-A115 CarbonylContact O-C 3.48Å; D111-A115 VanDerWaalsContact O-CA 3.31Å; D111-A115 WeakPolarHBondContact O-CA 3.49Å; D111-Q116 PolarHBondContact O-N 3.36Å; D111-Q116 PolarHBondContact OD1-NE2 3.28Å; D111-D117 HydrophobicContact CB-CB 4.08Å; D111-D117 PolarHBondContact O-N 2.87Å; D111-S120 WeakPolarHBondContact CB-OG 3.35Å; D111-S120 PolarHBondContact OD2-OG 2.8Å; D111-V121 HydrophobicContact CB-CG2 4.42Å
112L97.8Very high96.2Very high1 Ų141.6 Ų41.61%0.00522%0.223CC..Hα-helixtrans-89.5-55.8173.418052.5000112.4L54 L60 I88 F107 V110 E114 A115 V121L54-L112 HydrophobicContact CB-CD1 3.88Å; L54-L112 HydrophobicContact CB-CD2 4.14Å; L54-L112 WeakPolarHBondContact O-CD2 3.44Å; L60-L112 HydrophobicContact CD1-CD2 3.65Å; I88-L112 HydrophobicContact CD1-CB 4.33Å; I88-L112 HydrophobicContact CD1-CD2 3.91Å; I88-L112 HydrophobicContact CD1-CG 4.08Å; I88-L112 HydrophobicContact CG1-CD2 4.01Å; I88-L112 HydrophobicContact CG2-CD2 4.45Å; F107-L112 HydrophobicContact CD2-CB 4.29Å; F107-L112 HydrophobicContact CE2-CB 3.77Å; F107-L112 HydrophobicContact CE2-CD2 4.07Å; F107-L112 HydrophobicContact CZ-CD2 4.18Å; V110-L112 VanDerWaalsContact C-N 3.25Å; V110-L112 PolarHBondContact O-N 3.3Å; L112-E114 PolarHBondContact O-N 3.13Å; L112-A115 PolarHBondContact O-N 3.49Å; L112-V121 HydrophobicContact CB-CG2 3.8Å; L112-V121 HydrophobicContact CD1-CG1 4.4Å; L112-V121 HydrophobicContact CD1-CG2 4.41Å; L112-V121 HydrophobicContact CD2-CG1 4.36Å
113Y97.3Very high96.3Very high45 Ų4542.5 Ų42.518%0.17622%0.224CC..Hα-helixtrans-65.3-38.6-170.3-175.5-90.3000112.9K55 A81 Q84 M85 T109K55-Y113 WeakPolarHBondContact CE-O 3.3Å; K55-Y113 HydrophobicContact CG-CD2 4.49Å; A81-Y113 WeakPolarHBondContact CA-OH 3.28Å; A81-Y113 HydrophobicContact CB-CE2 4.43Å; A81-Y113 WeakPolarHBondContact CB-OH 3.19Å; Q84-Y113 HydrophobicContact CB-CD2 4.19Å; Q84-Y113 HydrophobicContact CB-CE2 3.92Å; Q84-Y113 VanDerWaalsContact OE1-CE2 3.32Å; M85-Y113 HydrophobicContact CE-CD1 3.22Å; M85-Y113 HydrophobicContact CE-CD2 4.44Å; M85-Y113 HydrophobicContact CE-CE1 3.43Å; M85-Y113 VanDerWaalsContact CE-CE1 3.43Å; M85-Y113 HydrophobicContact CE-CG 3.8Å; M85-Y113 HydrophobicContact CG-CD1 4.41Å; M85-Y113 HydrophobicContact CG-CD2 4.05Å; M85-Y113 HydrophobicContact CG-CE2 4.42Å; M85-Y113 HydrophobicContact CG-CG 4.04Å; T109-Y113 WeakPolarHBondContact O-CB 3.1Å; T109-Y113 PolarHBondContact O-N 3.4Å
114E95.2Very high96.5Very high80 Ų8034.9 Ų34.937%0.37419%0.191SC..THydrogen-bonded Turntrans-101.96.7176.7-57.1-173.1-168.100112.7R3 V110 L112 Q116R3-E114 IonicContact CZ-OE1 3.63Å; R3-E114 IonicContact CZ-OE2 2.83Å; R3-E114 IonicContact NE-OE1 3.75Å; R3-E114 IonicContact NE-OE2 2.91Å; R3-E114 PolarHBondContact NE-OE2 3.3Å; R3-E114 IonicContact NH1-OE2 3.47Å; R3-E114 PolarHBondContact NH1-OE2 3.01Å; R3-E114 VanDerWaalsContact NH2-CD 3.28Å; R3-E114 IonicContact NH2-OE1 2.94Å; R3-E114 PolarHBondContact NH2-OE1 2.98Å; R3-E114 IonicContact NH2-OE2 2.89Å; R3-E114 PolarHBondContact NH2-OE2 3.32Å; V110-E114 WeakPolarHBondContact O-CA 3.04Å; V110-E114 WeakPolarHBondContact O-CB 3.28Å; V110-E114 PolarHBondContact O-N 3.36Å; L112-E114 PolarHBondContact O-N 3.13Å; E114-Q116 PolarHBondContact O-N 3Å
115A94.2Very high96.6Very high21 Ų2129.7 Ų29.717%0.17416%0.155CC..  trans53.336.1-178.200000114.2I51 D111 L112 P118I51-A115 HydrophobicContact CD1-CB 3.59Å; I51-A115 HydrophobicContact CG1-CB 4.25Å; I51-A115 HydrophobicContact CG2-CB 4.22Å; D111-A115 CarbonylContact O-C 3.48Å; D111-A115 VanDerWaalsContact O-CA 3.31Å; D111-A115 WeakPolarHBondContact O-CA 3.49Å; L112-A115 PolarHBondContact O-N 3.49Å; A115-P118 HydrophobicContact CB-CG 4.48Å
116Q92.6Very high96.6Very high62 Ų6229.2 Ų29.229%0.2916%0.158SC..SBendtrans-71.4-41.1-178.3-178-177.1-90.600112.1D111 E114D111-Q116 PolarHBondContact O-N 3.36Å; D111-Q116 PolarHBondContact OD1-NE2 3.28Å; E114-Q116 PolarHBondContact O-N 3Å
117D95Very high96.6Very high34 Ų3427.7 Ų27.718%0.18215%0.147CC..  trans-14678177.3-171.8-7.2000110.5I17 D111 N119 S120I17-D117 HydrophobicContact CG2-CB 3.89Å; I17-D117 WeakPolarHBondContact CG2-OD1 3.47Å; D111-D117 HydrophobicContact CB-CB 4.08Å; D111-D117 PolarHBondContact O-N 2.87Å; D117-N119 PolarHBondContact O-N 3.38Å; D117-N119 VanDerWaalsContact O-N 3.11Å; D117-N119 WeakPolarHBondContact OD1-CB 3.28Å; D117-N119 PolarHBondContact OD1-N 2.89Å; D117-N119 VanDerWaalsContact OD1-N 3.14Å; D117-S120 PolarHBondContact O-N 3.5Å; D117-S120 VanDerWaalsContact O-N 3.16Å; D117-S120 PolarHBondContact O-OG 3.42Å; D117-S120 PolarHBondContact OD1-N 2.98Å
118P95.8Very high96.6Very high1 Ų127.3 Ų27.31%0.00615%0.145CC..Hα-helixtrans-59.8-22.6176.5-23.935.4000113.2F21 M47 I51 A115 V121 L122F21-P118 HydrophobicContact CD2-CB 3.99Å; F21-P118 HydrophobicContact CE2-CB 4.15Å; M47-P118 HydrophobicContact CG-CB 4.12Å; M47-P118 HydrophobicContact CG-CG 4.07Å; M47-P118 HydrophobicContact SD-CB 4.42Å; M47-P118 HydrophobicContact SD-CG 3.99Å; I51-P118 HydrophobicContact CD1-CB 4.32Å; I51-P118 HydrophobicContact CD1-CG 3.72Å; I51-P118 HydrophobicContact CG1-CB 4.15Å; I51-P118 HydrophobicContact CG1-CG 3.99Å; A115-P118 HydrophobicContact CB-CG 4.48Å; P118-V121 WeakPolarHBondContact O-CB 3.26Å; P118-V121 PolarHBondContact O-N 3.2Å; P118-L122 PolarHBondContact O-N 2.86Å; P118-L122 VanDerWaalsContact O-N 3.13Å
119N96.5Very high96.5Very high18 Ų1821.3 Ų21.310%0.09612%0.116CC..Hα-helixtrans-73.5-32.7179.1-178.776.2000112K20 F21 D117 V121 L122 I123K20-N119 HydrophobicContact CB-CB 4.48Å; K20-N119 PolarHBondContact O-OD1 2.91Å; K20-N119 VanDerWaalsContact O-OD1 3.11Å; F21-N119 HydrophobicContact CB-CB 4.4Å; D117-N119 PolarHBondContact O-N 3.38Å; D117-N119 VanDerWaalsContact O-N 3.11Å; D117-N119 WeakPolarHBondContact OD1-CB 3.28Å; D117-N119 PolarHBondContact OD1-N 2.89Å; D117-N119 VanDerWaalsContact OD1-N 3.14Å; N119-V121 VanDerWaalsContact C-N 3.31Å; N119-V121 PolarHBondContact O-N 3.37Å; N119-L122 WeakPolarHBondContact O-CB 2.85Å; N119-L122 PolarHBondContact O-N 3.02Å; N119-I123 WeakPolarHBondContact ND2-CD1 3.24Å; N119-I123 WeakPolarHBondContact O-CG1 3.21Å; N119-I123 PolarHBondContact O-N 3.25Å
120S96.9Very high96.4Very high15 Ų1523.3 Ų23.311%0.10512%0.122CC..Hα-helixtrans-64.7-36.5172.371.10000111.9F107 D111 D117 I123 C124F107-S120 VanDerWaalsContact CB-OG 3.28Å; F107-S120 WeakPolarHBondContact CB-OG 3.27Å; D111-S120 WeakPolarHBondContact CB-OG 3.35Å; D111-S120 PolarHBondContact OD2-OG 2.8Å; D117-S120 PolarHBondContact O-N 3.5Å; D117-S120 VanDerWaalsContact O-N 3.16Å; D117-S120 PolarHBondContact O-OG 3.42Å; D117-S120 PolarHBondContact OD1-N 2.98Å; S120-I123 PolarHBondContact O-N 3.02Å; S120-C124 PolarHBondContact O-N 3.14Å
121V98.3Very high96.3Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-62.8-44.3173.6-171.90000110.9F50 L54 F107 D111 L112 P118 N119 I123 C124 L125F50-V121 HydrophobicContact CE1-CB 4.07Å; F50-V121 HydrophobicContact CE1-CG1 4Å; F50-V121 HydrophobicContact CZ-CB 4.44Å; F50-V121 HydrophobicContact CZ-CG1 4.13Å; L54-V121 HydrophobicContact CD1-CG1 4.43Å; F107-V121 HydrophobicContact CB-CG2 4.39Å; F107-V121 HydrophobicContact CD1-CB 4.39Å; F107-V121 HydrophobicContact CD1-CG1 4.38Å; F107-V121 HydrophobicContact CD1-CG2 4.38Å; F107-V121 HydrophobicContact CD2-CG2 3.75Å; F107-V121 HydrophobicContact CE1-CG1 4.05Å; F107-V121 HydrophobicContact CE2-CG1 4.45Å; F107-V121 HydrophobicContact CE2-CG2 4.08Å; F107-V121 HydrophobicContact CG-CB 4.41Å; F107-V121 HydrophobicContact CG-CG2 3.94Å; F107-V121 HydrophobicContact CZ-CG1 4.11Å; D111-V121 HydrophobicContact CB-CG2 4.42Å; L112-V121 HydrophobicContact CB-CG2 3.8Å; L112-V121 HydrophobicContact CD1-CG1 4.4Å; L112-V121 HydrophobicContact CD1-CG2 4.41Å; L112-V121 HydrophobicContact CD2-CG1 4.36Å; P118-V121 WeakPolarHBondContact O-CB 3.26Å; P118-V121 PolarHBondContact O-N 3.2Å; N119-V121 VanDerWaalsContact C-N 3.31Å; N119-V121 PolarHBondContact O-N 3.37Å; V121-I123 PolarHBondContact O-N 3.18Å; V121-C124 PolarHBondContact O-N 2.89Å; V121-L125 HydrophobicContact CG1-CD1 4.28Å; V121-L125 WeakPolarHBondContact O-CG 3.43Å; V121-L125 PolarHBondContact O-N 3.38Å
122L97.2Very high96.2Very high3 Ų321.5 Ų21.52%0.01611%0.11CC..Hα-helixtrans-59-45.3176.1-171.673.8000111.8F21 Q25 A26 L29 F50 P118 N119 L125 A126F21-L122 HydrophobicContact CD2-CD2 4.27Å; F21-L122 HydrophobicContact CE2-CB 4.45Å; F21-L122 HydrophobicContact CE2-CD1 4.47Å; F21-L122 HydrophobicContact CE2-CD2 4.38Å; Q25-L122 HydrophobicContact CB-CD1 4.34Å; Q25-L122 HydrophobicContact CB-CD2 4.09Å; Q25-L122 HydrophobicContact CB-CG 4.49Å; A26-L122 VanDerWaalsContact CA-CD1 3.48Å; A26-L122 HydrophobicContact CB-CD1 3.83Å; L29-L122 HydrophobicContact CD1-CD1 3.61Å; L29-L122 HydrophobicContact CD1-CG 4.22Å; L29-L122 WeakPolarHBondContact CD1-O 3.33Å; F50-L122 HydrophobicContact CE2-CD1 3.94Å; F50-L122 HydrophobicContact CZ-CB 4.27Å; F50-L122 HydrophobicContact CZ-CD1 4Å; P118-L122 PolarHBondContact O-N 2.86Å; P118-L122 VanDerWaalsContact O-N 3.13Å; N119-L122 WeakPolarHBondContact O-CB 2.85Å; N119-L122 PolarHBondContact O-N 3.02Å; L122-L125 PolarHBondContact O-N 2.69Å; L122-A126 WeakPolarHBondContact O-CB 3.45Å; L122-A126 PolarHBondContact O-N 3.48Å
123I97.3Very high95.9Very high70 Ų7025.3 Ų25.336%0.35913%0.128SC..Hα-helixtrans-61.7-44.6176.9-70.3166.4000111.2E105 N119 S120 V121 A126 S127E105-I123 HydrophobicContact CB-CG2 3.86Å; E105-I123 HydrophobicContact CG-CG2 3.93Å; N119-I123 WeakPolarHBondContact ND2-CD1 3.24Å; N119-I123 WeakPolarHBondContact O-CG1 3.21Å; N119-I123 PolarHBondContact O-N 3.25Å; S120-I123 PolarHBondContact O-N 3.02Å; V121-I123 PolarHBondContact O-N 3.18Å; I123-A126 PolarHBondContact O-N 3.36Å; I123-S127 PolarHBondContact O-N 3.06Å
124C98.3Very high95.5Very high0 Ų028.8 Ų28.80%014%0.144CC..Hα-helixtrans-60.7-48.2177.9-176.80000111.6E105 F107 S120 V121 A126 S127 V128E105-C124 WeakPolarHBondContact O-CA 3.18Å; E105-C124 WeakPolarHBondContact O-CB 3.41Å; E105-C124 PolarHBondContact O-N 2.97Å; F107-C124 HydrophobicContact CD1-CB 3.5Å; F107-C124 HydrophobicContact CE1-CB 4.01Å; S120-C124 PolarHBondContact O-N 3.14Å; V121-C124 PolarHBondContact O-N 2.89Å; C124-A126 VanDerWaalsContact C-N 3.34Å; C124-A126 PolarHBondContact O-N 2.87Å; C124-S127 WeakPolarHBondContact O-CA 3.19Å; C124-S127 VanDerWaalsContact O-CB 3.28Å; C124-S127 WeakPolarHBondContact O-CB 3.31Å; C124-S127 PolarHBondContact O-N 3.18Å; C124-V128 WeakPolarHBondContact O-CG2 3.18Å; C124-V128 PolarHBondContact O-N 3.01Å
125L98.2Very high95.5Very high0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-62.6-39.4177.3-73.7174.4000112.3L29 I33 F50 L54 L60 L63 F91 V121 L122 S127 V128 A129L29-L125 HydrophobicContact CD1-CB 3.89Å; L29-L125 HydrophobicContact CD2-CB 4.41Å; I33-L125 HydrophobicContact CD1-CD1 3.91Å; I33-L125 HydrophobicContact CD1-CD2 3.97Å; F50-L125 HydrophobicContact CE2-CD1 4.05Å; F50-L125 HydrophobicContact CZ-CD1 3.81Å; L54-L125 HydrophobicContact CD1-CD1 3.68Å; L60-L125 HydrophobicContact CD2-CD1 4.48Å; L60-L125 HydrophobicContact CD2-CD2 3.77Å; L63-L125 HydrophobicContact CD2-CD2 4.09Å; F91-L125 HydrophobicContact CE1-CD2 4.34Å; F91-L125 HydrophobicContact CZ-CD2 3.84Å; V121-L125 HydrophobicContact CG1-CD1 4.28Å; V121-L125 WeakPolarHBondContact O-CG 3.43Å; V121-L125 PolarHBondContact O-N 3.38Å; L122-L125 PolarHBondContact O-N 2.69Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.34Å; L125-V128 PolarHBondContact O-N 3.11Å; L125-A129 WeakPolarHBondContact O-CB 3.49Å; L125-A129 PolarHBondContact O-N 3.1Å
126A96.5Very high95.3Very high32 Ų3229.4 Ų29.426%0.26416%0.162SC..Hα-helixtrans-61.9-37.9172.300000112L29 L122 I123 C124 A129 R130L29-A126 HydrophobicContact CD1-CB 4.16Å; L122-A126 WeakPolarHBondContact O-CB 3.45Å; L122-A126 PolarHBondContact O-N 3.48Å; I123-A126 PolarHBondContact O-N 3.36Å; C124-A126 VanDerWaalsContact C-N 3.34Å; C124-A126 PolarHBondContact O-N 2.87Å; A126-A129 PolarHBondContact O-N 3.16Å; A126-R130 WeakPolarHBondContact O-CG 3.34Å; A126-R130 PolarHBondContact O-N 3.14Å
127S96.1Very high95.4Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-64-44.3174-164.20000112.2E105 I123 C124 L125 K131E105-S127 WeakPolarHBondContact OE2-CB 3.42Å; E105-S127 PolarHBondContact OE2-OG 2.92Å; I123-S127 PolarHBondContact O-N 3.06Å; C124-S127 WeakPolarHBondContact O-CA 3.19Å; C124-S127 VanDerWaalsContact O-CB 3.28Å; C124-S127 WeakPolarHBondContact O-CB 3.31Å; C124-S127 PolarHBondContact O-N 3.18Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.34Å; S127-K131 WeakPolarHBondContact O-CG 3.46Å; S127-K131 PolarHBondContact O-N 2.67Å; S127-K131 PolarHBondContact OG-NZ 3.36Å
128V97.5Very high95.1Very high0 Ų032.5 Ų32.50%018%0.182CC..Hα-helixtrans-61.5-47.1175.2175.90000110.7W32 L67 F91 A95 V99 V101 C124 L125 R130 K131 A132W32-V128 HydrophobicContact CH2-CG1 4.1Å; L67-V128 HydrophobicContact CD1-CG1 3.61Å; F91-V128 HydrophobicContact CZ-CG2 4.06Å; A95-V128 HydrophobicContact CB-CG2 4.1Å; V99-V128 HydrophobicContact CG1-CB 4.49Å; V99-V128 HydrophobicContact CG1-CG1 4.36Å; V99-V128 HydrophobicContact CG1-CG2 4.39Å; V99-V128 HydrophobicContact CG2-CG1 4.44Å; V101-V128 HydrophobicContact CG2-CG2 3.57Å; C124-V128 WeakPolarHBondContact O-CG2 3.18Å; C124-V128 PolarHBondContact O-N 3.01Å; L125-V128 PolarHBondContact O-N 3.11Å; V128-R130 PolarHBondContact O-N 3.11Å; V128-K131 CarbonylContact O-C 3.46Å; V128-K131 PolarHBondContact O-N 3.24Å; V128-K131 VanDerWaalsContact O-N 3.11Å; V128-A132 PolarHBondContact O-N 3Å
129A96.5Very high94.9Very high0 Ų035.1 Ų35.10%020%0.201CC..Hα-helixtrans-63.1-41.2-178.600000112.6L29 W32 L125 A126 K131 A132 S139 V140L29-A129 HydrophobicContact CD2-CB 3.76Å; W32-A129 HydrophobicContact CD2-CB 3.89Å; W32-A129 HydrophobicContact CE3-CB 3.77Å; W32-A129 HydrophobicContact CH2-CB 3.93Å; W32-A129 HydrophobicContact CZ2-CB 4.01Å; W32-A129 HydrophobicContact CZ3-CB 3.79Å; L125-A129 WeakPolarHBondContact O-CB 3.49Å; L125-A129 PolarHBondContact O-N 3.1Å; A126-A129 PolarHBondContact O-N 3.16Å; A129-K131 PolarHBondContact O-N 3.19Å; A129-A132 VanDerWaalsContact O-CB 3.26Å; A129-A132 WeakPolarHBondContact O-CB 3.36Å; A129-A132 PolarHBondContact O-N 2.88Å; A129-S139 WeakPolarHBondContact O-CA 3.33Å; A129-S139 WeakPolarHBondContact O-CB 3.4Å; A129-V140 HydrophobicContact CB-CB 4.03Å; A129-V140 PolarHBondContact O-N 3.22Å
130R94.6Very high94.4Very high61 Ų6135.4 Ų35.423%0.2320%0.203CC..Hα-helixtrans-60.4-35.8174-76.2-176.6-64.7172.93.5112.3E105 A126 V128 H133 V140 E144E105-R130 VanDerWaalsContact CD-NH2 3.33Å; E105-R130 IonicContact OE1-CZ 3.28Å; E105-R130 IonicContact OE1-NH2 3.74Å; E105-R130 PolarHBondContact OE1-NH2 3.19Å; E105-R130 IonicContact OE2-NH2 3.88Å; E105-R130 PolarHBondContact OE2-NH2 3.26Å; A126-R130 WeakPolarHBondContact O-CG 3.34Å; A126-R130 PolarHBondContact O-N 3.14Å; V128-R130 PolarHBondContact O-N 3.11Å; R130-H133 PolarHBondContact O-ND1 2.87Å; R130-V140 WeakPolarHBondContact CA-O 3.38Å; R130-V140 WeakPolarHBondContact CG-O 3.48Å; R130-V140 PolarHBondContact N-O 3.06Å; R130-E144 IonicContact CZ-OE1 2.91Å; R130-E144 IonicContact NE-OE1 2.74Å; R130-E144 IonicContact NH2-OE1 3.28Å
131K94.2Very high93.4Very high9 Ų937 Ų374%0.03922%0.222CC..Hα-helixtrans-89.4-0.9-177.9-65.7176178.376.20113.5V99 G100 E105 S127 V128 A129 H133 K134 E144V99-K131 HydrophobicContact CG1-CB 3.66Å; V99-K131 HydrophobicContact CG1-CD 4.11Å; G100-K131 VanDerWaalsContact O-CE 3.27Å; G100-K131 WeakPolarHBondContact O-CE 3.37Å; E105-K131 IonicContact OE2-NZ 3.45Å; S127-K131 WeakPolarHBondContact O-CG 3.46Å; S127-K131 PolarHBondContact O-N 2.67Å; S127-K131 PolarHBondContact OG-NZ 3.36Å; V128-K131 CarbonylContact O-C 3.46Å; V128-K131 PolarHBondContact O-N 3.24Å; V128-K131 VanDerWaalsContact O-N 3.11Å; A129-K131 PolarHBondContact O-N 3.19Å; K131-H133 PolarHBondContact O-N 2.89Å; K131-K134 HydrophobicContact CB-CD 4.45Å; K131-K134 WeakPolarHBondContact O-CB 3.09Å; K131-K134 WeakPolarHBondContact O-CG 3.44Å; K131-K134 PolarHBondContact O-N 3.4Å; K131-K134 VanDerWaalsContact O-N 3.14Å; K131-E144 WeakPolarHBondContact CE-OE2 3.36Å; K131-E144 IonicContact NZ-OE1 3.83Å; K131-E144 PolarHBondContact NZ-OE1 2.94Å; K131-E144 IonicContact NZ-OE2 2.71Å; K131-E144 PolarHBondContact NZ-OE2 3.15Å
132A94.1Very high92.4Very high0 Ų042.1 Ų42.10%026%0.255CS..G310 helixtrans-61.4-26.3-177.800000114.4W32 L67 V128 A129 K134 F135 K137W32-A132 HydrophobicContact CH2-CB 4.38Å; W32-A132 HydrophobicContact CZ2-CB 3.59Å; L67-A132 HydrophobicContact CD2-CB 4.15Å; V128-A132 PolarHBondContact O-N 3Å; A129-A132 VanDerWaalsContact O-CB 3.26Å; A129-A132 WeakPolarHBondContact O-CB 3.36Å; A129-A132 PolarHBondContact O-N 2.88Å; A132-K134 PolarHBondContact O-N 3.01Å; A132-K134 VanDerWaalsContact O-N 3.12Å; A132-F135 WeakPolarHBondContact O-CB 3.4Å; A132-F135 PolarHBondContact O-N 3.47Å; A132-K137 CarbonylContact C-O 3.41Å; A132-K137 HydrophobicContact CB-CB 4.38Å; A132-K137 PolarHBondContact O-N 3.32Å
133H90.9Very high91.1Very high80 Ų8049.2 Ų49.237%0.3729%0.286SS..G310 helixtrans-57.8-26.5176.269.9-89.3000113R130 K131 F135 G136 K137R130-H133 PolarHBondContact O-ND1 2.87Å; K131-H133 PolarHBondContact O-N 2.89Å; H133-F135 PolarHBondContact O-N 2.91Å; H133-G136 PolarHBondContact O-N 2.88Å; H133-G136 VanDerWaalsContact O-N 3.15Å; H133-K137 PolarHBondContact N-O 3.47Å
134K90.4Very high89.9Confident119 Ų11949.6 Ų49.652%0.51729%0.286SS..G310 helixtrans-61.1-23.8174.3-63.3179.6-176.1179.80112.8V99 K131 A132V99-K134 PolarHBondContact O-NZ 2.94Å; K131-K134 HydrophobicContact CB-CD 4.45Å; K131-K134 WeakPolarHBondContact O-CB 3.09Å; K131-K134 WeakPolarHBondContact O-CG 3.44Å; K131-K134 PolarHBondContact O-N 3.4Å; K131-K134 VanDerWaalsContact O-N 3.14Å; A132-K134 PolarHBondContact O-N 3.01Å; A132-K134 VanDerWaalsContact O-N 3.12Å
135F93.8Very high88.6Confident40 Ų4054.5 Ų54.518%0.17533%0.327CS..G310 helixtrans-104.911.3-178.4-55.7-82.1000112.4L67 Q68 F94 V98 V99 A132 H133 K137L67-F135 HydrophobicContact CB-CB 4.48Å; L67-F135 HydrophobicContact CB-CD1 4.47Å; L67-F135 HydrophobicContact CB-CD2 4.36Å; L67-F135 HydrophobicContact CB-CG 4.18Å; L67-F135 HydrophobicContact CD2-CB 4.37Å; L67-F135 HydrophobicContact CD2-CD2 4.31Å; L67-F135 WeakPolarHBondContact O-CB 3.31Å; L67-F135 WeakPolarHBondContact O-CD1 3.44Å; Q68-F135 HydrophobicContact CB-CD1 4.27Å; Q68-F135 HydrophobicContact CB-CE1 4.17Å; F94-F135 HydrophobicContact CZ-CZ 4.44Å; V98-F135 HydrophobicContact CG1-CE1 3.94Å; V98-F135 HydrophobicContact CG1-CZ 4.04Å; V99-F135 HydrophobicContact CB-CE2 4.33Å; V99-F135 HydrophobicContact CB-CZ 4.43Å; V99-F135 HydrophobicContact CG1-CE2 4.22Å; V99-F135 HydrophobicContact CG2-CE2 3.94Å; V99-F135 HydrophobicContact CG2-CZ 3.94Å; A132-F135 WeakPolarHBondContact O-CB 3.4Å; A132-F135 PolarHBondContact O-N 3.47Å; H133-F135 PolarHBondContact O-N 2.91Å; F135-K137 PolarHBondContact O-N 3.31Å
136G91.5Very high87.2Confident73 Ų7362 Ų6275%0.75336%0.362SS*.THydrogen-bonded Turntrans67.817.9-176.500000114H133H133-G136 PolarHBondContact O-N 2.88Å; H133-G136 VanDerWaalsContact O-N 3.15Å
137K92.7Very high86Confident69 Ų6964.4 Ų64.430%0.339%0.39SS..SBendtrans-103.9148.7178.1-65.7-66.3-170.4164.50110.8I36 A66 L67 A132 H133 F135 S139I36-K137 HydrophobicContact CD1-CB 4.02Å; I36-K137 HydrophobicContact CD1-CD 4.3Å; I36-K137 HydrophobicContact CG2-CD 4.44Å; I36-K137 HydrophobicContact CG2-CG 4.41Å; A66-K137 WeakPolarHBondContact O-CE 3.46Å; L67-K137 HydrophobicContact CD2-CB 4.1Å; L67-K137 HydrophobicContact CD2-CG 4.04Å; A132-K137 CarbonylContact C-O 3.41Å; A132-K137 HydrophobicContact CB-CB 4.38Å; A132-K137 PolarHBondContact O-N 3.32Å; H133-K137 PolarHBondContact N-O 3.47Å; F135-K137 PolarHBondContact O-N 3.31Å; K137-S139 PolarHBondContact O-N 3.38Å
138P90.7Very high85.1Confident92 Ų9270.9 Ų70.960%0.59742%0.42SS*.PPolyproline II helixtrans-51.6131173.9-2732.6000111.8W32 I36W32-P138 PolarHBondContact NE1-O 2.86Å; I36-P138 HydrophobicContact CD1-CB 4.49Å; I36-P138 HydrophobicContact CD1-CG 4.26Å
139S89.6Confident84.2Confident56 Ų5678.9 Ų78.939%0.39246%0.455SS..PPolyproline II helixtrans-98.8147.2175.4570000111.6A129 K137A129-S139 WeakPolarHBondContact O-CA 3.33Å; A129-S139 WeakPolarHBondContact O-CB 3.4Å; K137-S139 PolarHBondContact O-N 3.38Å
140V86.6Confident83.3Confident25 Ų2585.9 Ų85.915%0.15248%0.481CS..  trans-106.8140172.2178.90000109.8Q28 W32 A129 R130Q28-V140 HydrophobicContact CG-CG1 3.87Å; W32-V140 HydrophobicContact CB-CG2 3.88Å; W32-V140 VanDerWaalsContact CD1-CG2 3.42Å; W32-V140 HydrophobicContact CD2-CG2 4.39Å; W32-V140 HydrophobicContact CG-CG2 3.6Å; A129-V140 HydrophobicContact CB-CB 4.03Å; A129-V140 PolarHBondContact O-N 3.22Å; R130-V140 WeakPolarHBondContact CA-O 3.38Å; R130-V140 WeakPolarHBondContact CG-O 3.48Å; R130-V140 PolarHBondContact N-O 3.06Å
141G77.2Confident82.8Confident48 Ų4889.1 Ų89.150%0.49550%0.499SS..SBendtrans90.2176.7175.800000114.4K143G141-K143 PolarHBondContact O-N 3.29Å
142P75.5Confident82.4Confident108 Ų10896.2 Ų96.270%0.70153%0.526SS*.PPolyproline II helixtrans-61135.9-178-21.532.7000111.5E144P142-E144 PolarHBondContact O-N 2.89Å
143K71.3Confident82.1Confident151 Ų15199.9 Ų99.966%0.65755%0.548SS*.PPolyproline II helixtrans-63.4127.5172.2-171.9-179.2179.7-177.20109.1G141 A145G141-K143 PolarHBondContact O-N 3.29Å; K143-A145 PolarHBondContact O-N 3.44Å
144E71Confident82Confident78 Ų78103.1 Ų103.136%0.36457%0.568SS.*PPolyproline II helixtrans-60.8132.9173.9-68.5176.9179.100109.9R130 K131 P142 Q146R130-E144 IonicContact CZ-OE1 2.91Å; R130-E144 IonicContact NE-OE1 2.74Å; R130-E144 IonicContact NH2-OE1 3.28Å; K131-E144 WeakPolarHBondContact CE-OE2 3.36Å; K131-E144 IonicContact NZ-OE1 3.83Å; K131-E144 PolarHBondContact NZ-OE1 2.94Å; K131-E144 IonicContact NZ-OE2 2.71Å; K131-E144 PolarHBondContact NZ-OE2 3.15Å; P142-E144 PolarHBondContact O-N 2.89Å; E144-Q146 PolarHBondContact O-N 3.08Å
145A71.1Confident81.8Confident104 Ų104104.4 Ų104.486%0.8658%0.576SS**PPolyproline II helixtrans-65.2122.9177.700000109.4K143 G147K143-A145 PolarHBondContact O-N 3.44Å; A145-G147 PolarHBondContact O-N 2.72Å
146Q68.9Low81.4Confident156 Ų156107.7 Ų107.773%0.72959%0.592SS**PPolyproline II helixtrans-79.3117.7168.7-70.5180-27.800107.2E144 E148E144-Q146 PolarHBondContact O-N 3.08Å; Q146-E148 PolarHBondContact O-N 3.37Å
147G72.1Confident81.1Confident83 Ų83109.4 Ų109.486%0.85658%0.582SS**  trans-63.599.5173.600000109.6A145 K149A145-G147 PolarHBondContact O-N 2.72Å; G147-K149 PolarHBondContact O-N 3.25Å
148E77.7Confident80.7Confident137 Ų137114.5 Ų114.564%0.6460%0.599SS**  trans-81.7106.3170.3-171-173.3136.200107.2Q146 R150Q146-E148 PolarHBondContact O-N 3.37Å; E148-R150 VanDerWaalsContact C-N 3.28Å; E148-R150 PolarHBondContact O-N 3.2Å; E148-R150 IonicContact OE1-CZ 3.95Å; E148-R150 VanDerWaalsContact OE1-CZ 3.28Å; E148-R150 IonicContact OE1-NE 3.89Å; E148-R150 PolarHBondContact OE1-NE 3.15Å; E148-R150 IonicContact OE1-NH2 2.85Å; E148-R150 PolarHBondContact OE1-NH2 3.19Å; E148-R150 IonicContact OE2-NH2 3.93Å
149K77.8Confident80.3Confident167 Ų167112.8 Ų112.873%0.72659%0.593SS**  trans-67.797.3167.1-169.6-176178.7-141.50106.8G147 E151G147-K149 PolarHBondContact O-N 3.25Å; K149-E151 VanDerWaalsContact CD-OE1 3.31Å; K149-E151 WeakPolarHBondContact CD-OE1 3.2Å; K149-E151 WeakPolarHBondContact CE-OE1 3.41Å; K149-E151 IonicContact NZ-OE1 2.67Å; K149-E151 PolarHBondContact NZ-OE1 3.41Å; K149-E151 IonicContact NZ-OE2 2.69Å; K149-E151 PolarHBondContact O-N 3.33Å; K149-E151 VanDerWaalsContact O-N 3.14Å
150R78.2Confident79.9Confident147 Ų147112.2 Ų112.256%0.55560%0.595SS**  trans-70.2109.2174.3-175.660.262.8104.5-1.9107.6E148 W152E148-R150 VanDerWaalsContact C-N 3.28Å; E148-R150 PolarHBondContact O-N 3.2Å; E148-R150 IonicContact OE1-CZ 3.95Å; E148-R150 VanDerWaalsContact OE1-CZ 3.28Å; E148-R150 IonicContact OE1-NE 3.89Å; E148-R150 PolarHBondContact OE1-NE 3.15Å; E148-R150 IonicContact OE1-NH2 2.85Å; E148-R150 PolarHBondContact OE1-NH2 3.19Å; E148-R150 IonicContact OE2-NH2 3.93Å; R150-W152 HydrophobicContact CB-CZ2 4.42Å; R150-W152 HydrophobicContact CG-CZ2 4.4Å; R150-W152 WeakPolarHBondContact O-CZ3 3.15Å
151E84.5Confident79.6Confident129 Ų129115.8 Ų115.860%0.60362%0.622SS**PPolyproline II helixtrans-78.2130.5167.3-61.8-65.116500107.8K149K149-E151 VanDerWaalsContact CD-OE1 3.31Å; K149-E151 WeakPolarHBondContact CD-OE1 3.2Å; K149-E151 WeakPolarHBondContact CE-OE1 3.41Å; K149-E151 IonicContact NZ-OE1 2.67Å; K149-E151 PolarHBondContact NZ-OE1 3.41Å; K149-E151 IonicContact NZ-OE2 2.69Å; K149-E151 PolarHBondContact O-N 3.33Å; K149-E151 VanDerWaalsContact O-N 3.14Å
152W85.7Confident79.6Confident158 Ų158119.8 Ų119.860%0.59863%0.632SS**PPolyproline II helixtrans-97144171.7-65.1-82.7000109.1R150 Q156 M157R150-W152 HydrophobicContact CB-CZ2 4.42Å; R150-W152 HydrophobicContact CG-CZ2 4.4Å; R150-W152 WeakPolarHBondContact O-CZ3 3.15Å; W152-Q156 HydrophobicContact CB-CB 4.42Å; W152-M157 HydrophobicContact CB-CG 4.01Å; W152-M157 HydrophobicContact CB-SD 3.81Å; W152-M157 HydrophobicContact CD2-SD 4.49Å; W152-M157 HydrophobicContact CE3-SD 4.41Å; W152-M157 HydrophobicContact CG-SD 4.28Å
153T87.6Confident79.5Confident78 Ų78120.9 Ų120.948%0.47963%0.63SS.*PPolyproline II helixtrans-66150.2172.459.20000110.3E155 Q156 M157T153-E155 PolarHBondContact O-N 3.34Å; T153-Q156 WeakPolarHBondContact O-CB 3.48Å; T153-Q156 PolarHBondContact O-N 3.02Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.49Å; T153-Q156 VanDerWaalsContact OG1-CD 3.28Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.43Å; T153-Q156 PolarHBondContact OG1-N 3.49Å; T153-Q156 PolarHBondContact OG1-OE1 2.95Å; T153-M157 PolarHBondContact O-N 3.41Å
154D87.4Confident79.5Confident147 Ų147119.7 Ų119.779%0.78663%0.63SS**Hα-helixtrans-56.6-33.3175.7-70.5-28.6000112.1M157 R158D154-M157 PolarHBondContact O-N 3.34Å; D154-R158 WeakPolarHBondContact O-CB 3.42Å; D154-R158 PolarHBondContact O-N 2.91Å
155E86.7Confident79.6Confident146 Ų146118.3 Ų118.368%0.68263%0.629SS**Hα-helixtrans-64.9-43.6175.2-173.2174.2-165.400112.2T153 M157 R158 A159T153-E155 PolarHBondContact O-N 3.34Å; E155-M157 VanDerWaalsContact C-N 3.35Å; E155-R158 PolarHBondContact O-N 3.2Å; E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 3.48Å
156Q86.1Confident79.7Confident109 Ų109120.4 Ų120.451%0.50963%0.625SS.*Hα-helixtrans-63-42173.8-76.2167.4-32.600111.5W152 T153 R158 A159 G160W152-Q156 HydrophobicContact CB-CB 4.42Å; T153-Q156 WeakPolarHBondContact O-CB 3.48Å; T153-Q156 PolarHBondContact O-N 3.02Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.49Å; T153-Q156 VanDerWaalsContact OG1-CD 3.28Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.43Å; T153-Q156 PolarHBondContact OG1-N 3.49Å; T153-Q156 PolarHBondContact OG1-OE1 2.95Å; Q156-R158 VanDerWaalsContact C-N 3.33Å; Q156-R158 PolarHBondContact O-N 3.38Å; Q156-A159 PolarHBondContact O-N 3.33Å; Q156-G160 PolarHBondContact O-N 3.12Å
157M84.3Confident79.9Confident110 Ų110121.7 Ų121.754%0.54263%0.631SS.*Hα-helixtrans-62.2-41.5176-67.6-57.6-66.400111.3W152 T153 D154 E155 G160W152-M157 HydrophobicContact CB-CG 4.01Å; W152-M157 HydrophobicContact CB-SD 3.81Å; W152-M157 HydrophobicContact CD2-SD 4.49Å; W152-M157 HydrophobicContact CE3-SD 4.41Å; W152-M157 HydrophobicContact CG-SD 4.28Å; T153-M157 PolarHBondContact O-N 3.41Å; D154-M157 PolarHBondContact O-N 3.34Å; E155-M157 VanDerWaalsContact C-N 3.35Å; M157-G160 PolarHBondContact O-N 3.1Å
158R85.2Confident79.9Confident176 Ų176127.1 Ų127.166%0.66463%0.627SS**Hα-helixtrans-67.6-37.2176.5-169174.573.8134.5-0.4112.9D154 E155 Q156 G160 S161D154-R158 WeakPolarHBondContact O-CB 3.42Å; D154-R158 PolarHBondContact O-N 2.91Å; E155-R158 PolarHBondContact O-N 3.2Å; Q156-R158 VanDerWaalsContact C-N 3.33Å; Q156-R158 PolarHBondContact O-N 3.38Å; R158-G160 PolarHBondContact O-N 3.25Å; R158-S161 WeakPolarHBondContact O-CB 3.48Å; R158-S161 PolarHBondContact O-N 3.05Å
159A82.6Confident79.4Confident56 Ų56123 Ų12346%0.46362%0.621SS.*Hα-helixtrans-62.5-34.717600000111.7E155 Q156 S161 N162E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 3.48Å; Q156-A159 PolarHBondContact O-N 3.33Å; A159-S161 VanDerWaalsContact C-N 3.3Å; A159-S161 PolarHBondContact O-N 3.26Å; A159-N162 PolarHBondContact O-N 3.14Å
160G81.2Confident78.9Confident43 Ų43118 Ų11844%0.44361%0.607SS.*Hα-helixtrans-61.1-34.9174.200000113.7Q156 M157 R158 N162 I163Q156-G160 PolarHBondContact O-N 3.12Å; M157-G160 PolarHBondContact O-N 3.1Å; R158-G160 PolarHBondContact O-N 3.25Å; G160-N162 PolarHBondContact O-N 3.48Å; G160-I163 WeakPolarHBondContact O-CB 3.41Å; G160-I163 PolarHBondContact O-N 3.24Å; G160-I163 VanDerWaalsContact O-N 3.15Å
161S79.6Confident78.4Confident101 Ų101117.8 Ų117.871%0.70662%0.617SS**Hα-helixtrans-67.3-19.8-179.5-56.30000114.3R158 A159R158-S161 WeakPolarHBondContact O-CB 3.48Å; R158-S161 PolarHBondContact O-N 3.05Å; A159-S161 VanDerWaalsContact C-N 3.3Å; A159-S161 PolarHBondContact O-N 3.26Å
162N76.3Confident77.6Confident131 Ų131120.6 Ų120.670%0.70163%0.627SS**THydrogen-bonded Turntrans-93.40.4177.7-64.6-37.6000112.9A159 G160 I164A159-N162 PolarHBondContact O-N 3.14Å; G160-N162 PolarHBondContact O-N 3.48Å; N162-I164 PolarHBondContact O-N 3.44Å
163I74.5Confident76.7Confident132 Ų132116.5 Ų116.568%0.67763%0.634SS**  trans-77.1107.7176.7-62.5-71.2000108.9G160 S165G160-I163 WeakPolarHBondContact O-CB 3.41Å; G160-I163 PolarHBondContact O-N 3.24Å; G160-I163 VanDerWaalsContact O-N 3.15Å; I163-S165 PolarHBondContact O-N 3.18Å
164I71.4Confident75.6Confident126 Ų126117 Ų11765%0.64665%0.646SS**  trans-71.9123170.6-60.5171.7000107.8N162N162-I164 PolarHBondContact O-N 3.44Å
165S72.2Confident74.5Confident48 Ų48115.1 Ų115.134%0.33664%0.64SS.*  trans-64148.9-179.183.20000110.8I163 Q167 Y168I163-S165 PolarHBondContact O-N 3.18Å; S165-Q167 PolarHBondContact O-N 3.45Å; S165-Y168 PolarHBondContact O-N 3.36Å; S165-Y168 WeakPolarHBondContact OG-CD2 3.47Å
166L72.9Confident73.4Confident148 Ų148115.4 Ų115.478%0.77564%0.641SS**G310 helixtrans-56.6-21178.7-74.6170.5000113.1G169L166-G169 PolarHBondContact O-N 3.2Å
167Q73.6Confident72.5Confident184 Ų184114.8 Ų114.886%0.8665%0.649SS**G310 helixtrans-70.1-28.9176.1-66.3178.2-25.900113.1S165 G169S165-Q167 PolarHBondContact O-N 3.45Å; Q167-G169 PolarHBondContact O-N 3.16Å
168Y72.8Confident71.7Confident197 Ų197112.9 Ų112.977%0.77366%0.657SS**G310 helixtrans-82.23.8175.4-71.8-79.6000113.2S165S165-Y168 PolarHBondContact O-N 3.36Å; S165-Y168 WeakPolarHBondContact OG-CD2 3.47Å
169G66.8Low70.9Confident50 Ų50109.9 Ų109.952%0.51565%0.652SS.*  trans97.2146-179.900000112.6L166 Q167L166-G169 PolarHBondContact O-N 3.2Å; Q167-G169 PolarHBondContact O-N 3.16Å
170S68.2Low70.3Confident61 Ų61113.3 Ų113.343%0.42766%0.663SS.*  trans-128.7128.1177.5177.80000109.5K172S170-K172 PolarHBondContact O-N 2.99Å; S170-K172 PolarHBondContact OG-N 3.31Å
171N67.8Low69.9Low144 Ų144118.4 Ų118.477%0.7768%0.678SS**THydrogen-bonded Turntrans-82.91.9172.366.2-6.3000112.9
172K66.3Low69.6Low187 Ų187117.4 Ų117.481%0.81368%0.684SS**THydrogen-bonded Turntrans-86.6-12.3-178.9-63.9-164.2177.4-177.50114.6S170S170-K172 PolarHBondContact O-N 2.99Å; S170-K172 PolarHBondContact OG-N 3.31Å
173G66.3Low69.3Low73 Ų73117.1 Ų117.175%0.75368%0.682SS**SBendtrans-101.7-32.5-175.900000115.2
174A65.2Low68.9Low88 Ų88115.8 Ų115.873%0.72769%0.685SS**  trans-119.394.4-178.400000109.6
175T63.7Low68.6Low107 Ų107120.9 Ų120.966%0.65670%0.696SS**  trans-87.4128.1172-24.50000108S177T175-S177 WeakPolarHBondContact CB-OG 3.19Å; T175-S177 PolarHBondContact O-N 3.38Å
176Q63.8Low68.3Low152 Ų152127.2 Ų127.271%0.7172%0.72SS**  trans-67.93.9176.1-163.9179.478.300112.9G178 M179Q176-G178 PolarHBondContact O-N 2.94Å; Q176-M179 HydrophobicContact CG-CB 4Å; Q176-M179 HydrophobicContact CG-CE 3.74Å; Q176-M179 HydrophobicContact CG-SD 4.4Å; Q176-M179 WeakPolarHBondContact O-CB 3.49Å; Q176-M179 PolarHBondContact O-N 2.98Å; Q176-M179 VanDerWaalsContact O-N 3.16Å
177S68.3Low68.3Low97 Ų97126.7 Ų126.768%0.67872%0.716SS**THydrogen-bonded Turntrans-57.9121.3177.551.40000111T175T175-S177 WeakPolarHBondContact CB-OG 3.19Å; T175-S177 PolarHBondContact O-N 3.38Å
178G67.1Low68.1Low69 Ų69124.6 Ų124.671%0.71171%0.71SS**THydrogen-bonded Turntrans95.4-7.9178.400000115.1Q176 N180Q176-G178 PolarHBondContact O-N 2.94Å; G178-N180 PolarHBondContact O-N 3.15Å; G178-N180 PolarHBondContact O-ND2 3.42Å
179M69Low68Low113 Ų113122.2 Ų122.256%0.55771%0.71SS**  trans-75.892.7177.1-152.8166.681.700110.2Q176 I181Q176-M179 HydrophobicContact CG-CB 4Å; Q176-M179 HydrophobicContact CG-CE 3.74Å; Q176-M179 HydrophobicContact CG-SD 4.4Å; Q176-M179 WeakPolarHBondContact O-CB 3.49Å; Q176-M179 PolarHBondContact O-N 2.98Å; Q176-M179 VanDerWaalsContact O-N 3.16Å; M179-I181 HydrophobicContact CE-CD1 3.84Å; M179-I181 HydrophobicContact CE-CG1 4.34Å; M179-I181 HydrophobicContact CG-CG1 4.45Å; M179-I181 PolarHBondContact O-N 3.36Å
180N69.2Low67.8Low128 Ų128127.4 Ų127.468%0.68473%0.726SS**  trans-88.193.1174.9-78.7-84.6000109.8G178 G182G178-N180 PolarHBondContact O-N 3.15Å; G178-N180 PolarHBondContact O-ND2 3.42Å; N180-G182 PolarHBondContact O-N 3.34Å
181I73.7Confident67.2Low150 Ų150137.1 Ų137.177%0.76976%0.764SS**SBendtrans-81.7110.9171.7-57.6166.8000107.9M179M179-I181 HydrophobicContact CE-CD1 3.84Å; M179-I181 HydrophobicContact CE-CG1 4.34Å; M179-I181 HydrophobicContact CG-CG1 4.45Å; M179-I181 PolarHBondContact O-N 3.36Å
182G73.1Confident67.1Low80 Ų80136.8 Ų136.883%0.82576%0.764SS**SBendtrans109.1-2.2167.800000116.8N180N180-G182 PolarHBondContact O-N 3.34Å
183N69.4Low67.2Low125 Ų125134.1 Ų134.167%0.66876%0.761SS**  trans-90.5132.6172.1-132.5-4.2000110.5R185N183-R185 PolarHBondContact O-N 3Å
184S66.4Low67.2Low104 Ų104137.5 Ų137.573%0.72776%0.762SS**  trans-63.3127.2178.230.30000110.2H186S184-H186 PolarHBondContact O-N 3.39Å; S184-H186 VanDerWaalsContact O-N 3.12Å
185R64.1Low67.3Low234 Ų234140.4 Ų140.488%0.88376%0.764SS**  trans-62.6115177-66.8-173.5-179.7-90.60.5108.6N183 I187N183-R185 PolarHBondContact O-N 3Å; R185-I187 PolarHBondContact O-N 3.2Å
186H67.2Low67.6Low181 Ų181142.5 Ų142.584%0.83877%0.77SS**  trans-63.1103.7168.9-98.4-93.2000108.7S184 I188S184-H186 PolarHBondContact O-N 3.39Å; S184-H186 VanDerWaalsContact O-N 3.12Å; H186-I188 PolarHBondContact O-N 2.98Å
187I71.9Confident67.8Low136 Ų136141.9 Ų141.970%0.69777%0.774SS**  trans-82.7105.3165.3-64.2174000105.8R185 L189R185-I187 PolarHBondContact O-N 3.2Å; I187-L189 HydrophobicContact CG2-CD2 3.9Å; I187-L189 HydrophobicContact CG2-CG 4.19Å; I187-L189 PolarHBondContact O-N 3.12Å
188I69.8Low67.8Low140 Ų140145.1 Ų145.172%0.71878%0.781SS**  trans-74.5104.8170.1-58168.9000106.2H186 N190H186-I188 PolarHBondContact O-N 2.98Å; I188-N190 PolarHBondContact O-N 3.38Å
189L71.6Confident67.9Low148 Ų148150.9 Ų150.978%0.77579%0.787SS**  trans-80.3102169.3-65.4172.1000107.1I187 Q191I187-L189 HydrophobicContact CG2-CD2 3.9Å; I187-L189 HydrophobicContact CG2-CG 4.19Å; I187-L189 PolarHBondContact O-N 3.12Å; L189-Q191 PolarHBondContact O-N 3.46Å; L189-Q191 VanDerWaalsContact O-N 3.15Å
190N61.1Low67.8Low159 Ų159154.1 Ų154.185%0.8581%0.806SS**  trans-64.3109.4168.4-100.32.5000108.6I188I188-N190 PolarHBondContact O-N 3.38Å
191Q55.7Low67.6Low264 Ų264156.5 Ų156.5100%1.23482%0.817SS**  trans-126.30156-69.9-156.2-15.600108.8L189L189-Q191 PolarHBondContact O-N 3.46Å; L189-Q191 VanDerWaalsContact O-N 3.15Å

Retrieved 191 of 191 residues in 89.1 ms (Link to these results)

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