A0A077Z152_TRITR Loading...

Alpha N-terminal protein methyltransferase 1

AlphaFold DB , UniProt , Accession A0A077Z152, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 605 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M25Very low36.8Very low237 Ų23788.7 Ų88.7100%1.16751%0.506SS*.  0133.50-67.4-179.4-153.800105.7G3M1-G3 PolarHBondContact O-N 2.89Å
2D27.1Very low40.5Very low130 Ų13090 Ų9070%0.69550%0.502SS*.  trans-41.9126-168.457.3-38.1000113.6S4D2-S4 PolarHBondContact O-N 3.48Å; D2-S4 PolarHBondContact OD2-OG 2.69Å
3G26.8Very low44.1Very low79 Ų7983.5 Ų83.581%0.81447%0.466SS*.  trans-75.440.8175.100000112.5M1 L5M1-G3 PolarHBondContact O-N 2.89Å; G3-L5 PolarHBondContact O-N 3.39Å
4S30.6Very low47.7Very low42 Ų4279.6 Ų79.629%0.29445%0.446SS..  trans-66.6120.8178.751.70000108.5D2 N6 E75D2-S4 PolarHBondContact O-N 3.48Å; D2-S4 PolarHBondContact OD2-OG 2.69Å; S4-N6 PolarHBondContact O-N 3.32Å; S4-E75 WeakPolarHBondContact CA-OE1 3.45Å; S4-E75 WeakPolarHBondContact CA-OE2 3.4Å; S4-E75 WeakPolarHBondContact CB-OE2 3.47Å
5L31.8Very low50.9Low88 Ų8874.3 Ų74.346%0.46142%0.416SS..  trans-61.898.4-175.6-81.2103000109.4G3 L7 E75G3-L5 PolarHBondContact O-N 3.39Å; L5-L7 HydrophobicContact CB-CD1 3.74Å; L5-L7 HydrophobicContact CB-CG 4.16Å; L5-L7 HydrophobicContact CD2-CD1 3.61Å; L5-L7 HydrophobicContact CD2-CG 4.25Å; L5-L7 HydrophobicContact CG-CD1 4.3Å; L5-L7 PolarHBondContact O-N 3.08Å; L5-E75 PolarHBondContact N-OE1 3.2Å
6N31.9Very low53.9Low101 Ų10173.7 Ų73.754%0.5441%0.406SS..  trans-69.163.7167.3-104.7-13.1000109.5S4 A8S4-N6 PolarHBondContact O-N 3.32Å; N6-A8 PolarHBondContact O-N 3.02Å
7L40.5Very low56.5Low35 Ų3569.4 Ų69.418%0.18338%0.382CS..  trans-70.4115171-81.8151.7000107.4L5 T71L5-L7 HydrophobicContact CB-CD1 3.74Å; L5-L7 HydrophobicContact CB-CG 4.16Å; L5-L7 HydrophobicContact CD2-CD1 3.61Å; L5-L7 HydrophobicContact CD2-CG 4.25Å; L5-L7 HydrophobicContact CG-CD1 4.3Å; L5-L7 PolarHBondContact O-N 3.08Å; L7-T71 HydrophobicContact CB-CG2 3.89Å; L7-T71 HydrophobicContact CD1-CG2 3.39Å; L7-T71 HydrophobicContact CG-CG2 4.13Å
8A39.2Very low58.7Low32 Ų3265.9 Ų65.926%0.26436%0.364SS..  trans-53.4151.8-166.700000114.2N6 G10 V11 L245N6-A8 PolarHBondContact O-N 3.02Å; A8-G10 PolarHBondContact O-N 2.74Å; A8-V11 PolarHBondContact O-N 2.64Å; A8-L245 HydrophobicContact CB-CD1 3.39Å
9K38.5Very low60.8Low203 Ų20362.5 Ų62.588%0.88334%0.344SS*.THydrogen-bonded Turntrans-51.6101.8175.9-70.1175.3179.3172.20110.3
10G50.1Low62.5Low22 Ų2261.1 Ų61.123%0.22734%0.338CS..THydrogen-bonded Turntrans150.6-26.3175.800000114.7A8A8-G10 PolarHBondContact O-N 2.74Å
11V63.6Low64.1Low7 Ų761.6 Ų61.64%0.04234%0.34CS..  trans-82.6134.4179.7-167.40000110.4A8 T71 F98A8-V11 PolarHBondContact O-N 2.64Å; V11-T71 VanDerWaalsContact C-OG1 3.31Å; V11-T71 WeakPolarHBondContact CG1-OG1 3.42Å; V11-T71 PolarHBondContact O-N 3.42Å; V11-T71 PolarHBondContact O-OG1 2.99Å; V11-F98 HydrophobicContact CG1-CD1 3.98Å; V11-F98 HydrophobicContact CG1-CE1 3.93Å
12F81.1Confident67.5Low104 Ų10455.4 Ų55.446%0.45631%0.309SS..EExtended strand (participates in β ladder)trans-102.2155.8175.1-60.2-78.7000110.4T69 R70 T71 Y97F12-T69 CarbonylContact C-O 3.58Å; F12-T69 WeakPolarHBondContact CA-O 3.49Å; F12-R70 HydrophobicContact CD1-CG 4.35Å; F12-R70 HydrophobicContact CE1-CG 4.27Å; F12-T71 PolarHBondContact O-OG1 3.25Å; F12-Y97 HydrophobicContact CB-CD1 4.39Å; F12-Y97 PolarHBondContact O-N 2.79Å
13S86.7Confident70.8Confident5 Ų556.8 Ų56.84%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-137.4152.6173.5-71.80000109.8T69 T71 L95S13-T69 PolarHBondContact N-O 2.94Å; S13-T69 PolarHBondContact O-N 2.8Å; S13-T69 VanDerWaalsContact O-O 3.14Å; S13-T71 WeakPolarHBondContact OG-CB 3.21Å; S13-T71 WeakPolarHBondContact OG-CG2 3.46Å; S13-T71 PolarHBondContact OG-OG1 3.11Å; S13-L95 WeakPolarHBondContact CA-O 3.38Å
14V94.4Very high74.1Confident30 Ų3054.6 Ų54.618%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-110.2125.6169.6-176.40000107.8Y16 M66 I67 K68 T94 L95V14-Y16 HydrophobicContact CB-CE2 4.48Å; V14-Y16 HydrophobicContact CG1-CD2 4.45Å; V14-Y16 HydrophobicContact CG1-CE1 4.35Å; V14-Y16 HydrophobicContact CG1-CE2 3.86Å; V14-M66 HydrophobicContact CG1-CG 3.48Å; V14-M66 VanDerWaalsContact CG1-CG 3.48Å; V14-M66 HydrophobicContact CG1-SD 4.3Å; V14-I67 CarbonylContact C-O 3.54Å; V14-I67 VanDerWaalsContact CA-O 3.32Å; V14-I67 WeakPolarHBondContact CA-O 3.26Å; V14-K68 HydrophobicContact CG2-CG 4.38Å; V14-T94 CarbonylContact O-C 3.54Å; V14-T94 WeakPolarHBondContact O-CA 3.44Å; V14-L95 PolarHBondContact N-O 2.82Å; V14-L95 PolarHBondContact O-N 2.84Å
15A96.6Very high77.3Confident0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-105.7135.2171.300000110I67 I74 L77 I93 T94A15-I67 HydrophobicContact CB-CB 4.25Å; A15-I67 PolarHBondContact N-O 2.79Å; A15-I67 WeakPolarHBondContact O-CB 3.42Å; A15-I67 PolarHBondContact O-N 3.16Å; A15-I74 HydrophobicContact CB-CD1 4.26Å; A15-L77 HydrophobicContact CB-CD2 4.12Å; A15-I93 CarbonylContact C-O 3.54Å; A15-I93 VanDerWaalsContact CA-O 3.3Å; A15-I93 WeakPolarHBondContact CA-O 3.26Å; A15-T94 HydrophobicContact CB-CG2 4.01Å
16Y97.9Very high80.4Confident64 Ų6452.8 Ų52.825%0.25127%0.265SS..EExtended strand (participates in β ladder)trans-105.7126.7174.7-67.2-78.1000109.1V14 L64 L65 M66 V92 I93 L95V14-Y16 HydrophobicContact CB-CE2 4.48Å; V14-Y16 HydrophobicContact CG1-CD2 4.45Å; V14-Y16 HydrophobicContact CG1-CE1 4.35Å; V14-Y16 HydrophobicContact CG1-CE2 3.86Å; Y16-L64 HydrophobicContact CD1-CD1 4.16Å; Y16-L64 HydrophobicContact CD1-CD2 3.82Å; Y16-L64 HydrophobicContact CD1-CG 4.07Å; Y16-L64 HydrophobicContact CE1-CD2 4.27Å; Y16-L65 WeakPolarHBondContact CA-O 3.46Å; Y16-M66 HydrophobicContact CD1-CB 4.33Å; Y16-M66 HydrophobicContact CD1-CG 4.35Å; Y16-M66 HydrophobicContact CE1-CB 4.05Å; Y16-M66 HydrophobicContact CE1-CG 3.72Å; Y16-M66 HydrophobicContact CE1-SD 4.05Å; Y16-V92 WeakPolarHBondContact O-CA 3.48Å; Y16-I93 PolarHBondContact N-O 2.9Å; Y16-I93 PolarHBondContact O-N 2.8Å; Y16-L95 HydrophobicContact CD2-CD1 4.41Å; Y16-L95 HydrophobicContact CD2-CG 4.48Å; Y16-L95 HydrophobicContact CE2-CD1 3.7Å; Y16-L95 HydrophobicContact CE2-CG 4.13Å
17V97.8Very high83.5Confident0 Ų055.7 Ų55.70%027%0.273CS..EExtended strand (participates in β ladder)trans-136.9124.5-180177.20000108.8V19 L28 L65 I67 V81 V92V17-V19 HydrophobicContact CG1-CG1 4.4Å; V17-L28 HydrophobicContact CG1-CD2 4.47Å; V17-L65 HydrophobicContact CB-CB 4.25Å; V17-L65 PolarHBondContact N-O 3.06Å; V17-L65 WeakPolarHBondContact O-CB 3.43Å; V17-L65 PolarHBondContact O-N 3.39Å; V17-I67 HydrophobicContact CB-CD1 4.24Å; V17-I67 HydrophobicContact CG2-CD1 3.7Å; V17-V81 HydrophobicContact CG1-CG1 3.8Å; V17-V81 HydrophobicContact CG2-CG1 4.18Å; V17-V81 HydrophobicContact CG2-CG2 4.39Å; V17-V92 HydrophobicContact CG2-CB 4.43Å; V17-V92 HydrophobicContact CG2-CG1 4.17Å; V17-V92 HydrophobicContact CG2-CG2 4.15Å
18T97.2Very high86.2Confident8 Ų854.3 Ų54.35%0.04927%0.265CS..EExtended strand (participates in β ladder)trans-85.1139.7173.943.40000110.7L47 L63 L64 H85 E91T18-L47 HydrophobicContact CG2-CD2 3.59Å; T18-L63 WeakPolarHBondContact CA-O 3.46Å; T18-L64 HydrophobicContact CG2-CD1 4.01Å; T18-H85 PolarHBondContact O-CE1 3.05Å; T18-H85 VanDerWaalsContact O-CE1 3.31Å; T18-H85 PolarHBondContact O-NE2 3.18Å; T18-E91 WeakPolarHBondContact CG2-OE2 3.38Å; T18-E91 WeakPolarHBondContact OG1-CB 3.49Å; T18-E91 PolarHBondContact OG1-OE2 2.86Å
19V97.3Very high89Confident0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-134.1148.1179.6-65.40000111.1V17 N21 V24 L28 E62 L63 L65V17-V19 HydrophobicContact CG1-CG1 4.4Å; V19-N21 PolarHBondContact O-N 3.41Å; V19-V24 HydrophobicContact CB-CG1 4.29Å; V19-V24 HydrophobicContact CG1-CG1 4.34Å; V19-L28 HydrophobicContact CG1-CD2 4.28Å; V19-E62 WeakPolarHBondContact O-CA 3.31Å; V19-E62 WeakPolarHBondContact O-CB 3.3Å; V19-L63 HydrophobicContact CG2-CB 3.82Å; V19-L63 HydrophobicContact CG2-CD1 4.4Å; V19-L63 PolarHBondContact N-O 2.94Å; V19-L63 PolarHBondContact O-N 3.39Å; V19-L65 HydrophobicContact CG1-CD1 3.73Å; V19-L65 HydrophobicContact CG1-CG 4.03Å; V19-L65 HydrophobicContact CG2-CD2 4.25Å; V19-L65 HydrophobicContact CG2-CG 4.19Å
20P95.8Very high91.9Very high34 Ų3451.7 Ų51.722%0.22125%0.245CC..SBendtrans-70.7-29.7-171.624.2-34.6000114.6V24 P86 Y87P20-V24 HydrophobicContact CG-CB 4.28Å; P20-V24 HydrophobicContact CG-CG1 4.37Å; P20-V24 HydrophobicContact CG-CG2 4.14Å; P20-P86 HydrophobicContact CG-CG 3.65Å; P20-Y87 HydrophobicContact CB-CE1 4.03Å; P20-Y87 WeakPolarHBondContact CB-OH 3.3Å; P20-Y87 HydrophobicContact CG-CE1 4.19Å
21N95.9Very high94.1Very high72 Ų7251.5 Ų51.539%0.38524%0.241SC..SBendtrans-159.7169.3-175.760.956.8000112.2V19 E23 V24 G25 L63V19-N21 PolarHBondContact O-N 3.41Å; N21-E23 VanDerWaalsContact C-N 3.31Å; N21-E23 PolarHBondContact O-N 3.1Å; N21-E23 PolarHBondContact OD1-N 3.43Å; N21-V24 PolarHBondContact O-N 3Å; N21-V24 WeakPolarHBondContact OD1-CG2 3.24Å; N21-V24 PolarHBondContact OD1-N 2.75Å; N21-G25 PolarHBondContact O-N 2.88Å; N21-L63 VanDerWaalsContact CA-CD1 3.44Å
22E96.3Very high95.7Very high108 Ų10851.2 Ų51.251%0.50524%0.239SC..Hα-helixtrans-64.6-32.7-174.5-167.5179.1-179.100113.1K26 L63E22-K26 HydrophobicContact CG-CD 4.06Å; E22-K26 HydrophobicContact CG-CG 4.33Å; E22-K26 VanDerWaalsContact O-CB 3.3Å; E22-K26 WeakPolarHBondContact O-CB 3.48Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.3Å; E22-K26 PolarHBondContact O-N 3.1Å; E22-K26 WeakPolarHBondContact OE1-CE 3.41Å; E22-K26 IonicContact OE1-NZ 2.61Å; E22-K26 PolarHBondContact OE1-NZ 3.36Å; E22-L63 HydrophobicContact CB-CD2 4.27Å; E22-L63 HydrophobicContact CG-CD2 4.49Å
23E96.6Very high96.5Very high159 Ų15949.3 Ų49.374%0.74324%0.235SC*.Hα-helixtrans-65.3-50.4178.4-172.3-177.3169.200111N21 K26 K27N21-E23 VanDerWaalsContact C-N 3.31Å; N21-E23 PolarHBondContact O-N 3.1Å; N21-E23 PolarHBondContact OD1-N 3.43Å; E23-K26 PolarHBondContact O-N 3.35Å; E23-K27 WeakPolarHBondContact O-CB 3.39Å; E23-K27 PolarHBondContact O-N 3.34Å
24V96.4Very high97Very high33 Ų3356.1 Ų56.120%0.227%0.267CS..Hα-helixtrans-61.7-46.5175.7174.10000110.5V19 P20 N21 K26 K27 L28 P86V19-V24 HydrophobicContact CB-CG1 4.29Å; V19-V24 HydrophobicContact CG1-CG1 4.34Å; P20-V24 HydrophobicContact CG-CB 4.28Å; P20-V24 HydrophobicContact CG-CG1 4.37Å; P20-V24 HydrophobicContact CG-CG2 4.14Å; N21-V24 PolarHBondContact O-N 3Å; N21-V24 WeakPolarHBondContact OD1-CG2 3.24Å; N21-V24 PolarHBondContact OD1-N 2.75Å; V24-K26 PolarHBondContact O-N 3.32Å; V24-K27 PolarHBondContact O-N 3.42Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 PolarHBondContact O-N 3.09Å; V24-P86 HydrophobicContact CG1-CG 3.98Å; V24-P86 HydrophobicContact CG2-CG 4.41Å
25G96.9Very high97.1Very high0 Ų060.5 Ų60.50%028%0.283CS..Hα-helixtrans-58.1-48.2178.900000113N21 A29N21-G25 PolarHBondContact O-N 2.88Å; G25-A29 WeakPolarHBondContact O-CB 3.42Å; G25-A29 PolarHBondContact O-N 3.04Å
26K97.8Very high97Very high91 Ų9168.5 Ų68.540%0.39632%0.318SS..Hα-helixtrans-64.4-43.4177.4-77.6177.4-179.9166.60112.1E22 E23 V24 R30 I43E22-K26 HydrophobicContact CG-CD 4.06Å; E22-K26 HydrophobicContact CG-CG 4.33Å; E22-K26 VanDerWaalsContact O-CB 3.3Å; E22-K26 WeakPolarHBondContact O-CB 3.48Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.3Å; E22-K26 PolarHBondContact O-N 3.1Å; E22-K26 WeakPolarHBondContact OE1-CE 3.41Å; E22-K26 IonicContact OE1-NZ 2.61Å; E22-K26 PolarHBondContact OE1-NZ 3.36Å; E23-K26 PolarHBondContact O-N 3.35Å; V24-K26 PolarHBondContact O-N 3.32Å; K26-R30 WeakPolarHBondContact O-CB 3.4Å; K26-R30 VanDerWaalsContact O-CG 3.31Å; K26-R30 WeakPolarHBondContact O-CG 3.46Å; K26-R30 PolarHBondContact O-N 3.26Å; K26-I43 HydrophobicContact CG-CD1 3.9Å
27K97.7Very high96.9Very high162 Ų16266.1 Ų66.170%0.70431%0.31SS*.Hα-helixtrans-61.6-49.3179.1-176.9-179.2178.4-177.10111E23 V24 S31E23-K27 WeakPolarHBondContact O-CB 3.39Å; E23-K27 PolarHBondContact O-N 3.34Å; V24-K27 PolarHBondContact O-N 3.42Å; K27-S31 WeakPolarHBondContact O-CB 3.29Å; K27-S31 PolarHBondContact O-N 3.06Å; K27-S31 VanDerWaalsContact O-N 3.09Å; K27-S31 PolarHBondContact O-OG 3.36Å
28L97.5Very high96.9Very high6 Ų666.4 Ų66.43%0.03131%0.312CS..Hα-helixtrans-64.7-49.2-179.9-173.260.5000111V17 V19 V24 R30 S31 L32 L65 Y80 V81 N84V17-L28 HydrophobicContact CG1-CD2 4.47Å; V19-L28 HydrophobicContact CG1-CD2 4.28Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 PolarHBondContact O-N 3.09Å; L28-R30 PolarHBondContact O-N 3.19Å; L28-S31 PolarHBondContact O-N 3.29Å; L28-S31 PolarHBondContact O-OG 2.95Å; L28-L32 HydrophobicContact CG-CD1 4.2Å; L28-L32 WeakPolarHBondContact O-CG 3.1Å; L28-L32 PolarHBondContact O-N 3.47Å; L28-L65 HydrophobicContact CB-CD1 4.46Å; L28-L65 HydrophobicContact CD2-CD1 3.96Å; L28-L65 HydrophobicContact CG-CD1 4.38Å; L28-Y80 HydrophobicContact CD1-CD1 4.35Å; L28-Y80 HydrophobicContact CD1-CE1 4.09Å; L28-V81 HydrophobicContact CD2-CG1 4.34Å; L28-V81 HydrophobicContact CD2-CG2 4.42Å; L28-N84 HydrophobicContact CD1-CB 4.22Å
29A97.7Very high96.6Very high10 Ų1070.1 Ų70.18%0.08334%0.344CS..Hα-helixtrans-56.1-47.3178.500000112.8G25 L32 V33 V41 I43G25-A29 WeakPolarHBondContact O-CB 3.42Å; G25-A29 PolarHBondContact O-N 3.04Å; A29-L32 PolarHBondContact O-N 2.69Å; A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 3.23Å; A29-V41 HydrophobicContact CB-CB 3.88Å; A29-V41 HydrophobicContact CB-CG1 3.69Å; A29-V41 HydrophobicContact CB-CG2 4.26Å; A29-I43 HydrophobicContact CB-CD1 4.28Å
30R97.9Very high96.6Very high171 Ų17172.7 Ų72.765%0.64536%0.361SS*.Hα-helixtrans-59.6-48.8176.2-77.6178.8177.7172.9-1111.4K26 L28 L32 V33 E34K26-R30 WeakPolarHBondContact O-CB 3.4Å; K26-R30 VanDerWaalsContact O-CG 3.31Å; K26-R30 WeakPolarHBondContact O-CG 3.46Å; K26-R30 PolarHBondContact O-N 3.26Å; L28-R30 PolarHBondContact O-N 3.19Å; R30-L32 VanDerWaalsContact C-N 3.33Å; R30-L32 PolarHBondContact O-N 2.77Å; R30-V33 PolarHBondContact O-N 2.76Å; R30-E34 WeakPolarHBondContact O-CB 3.1Å; R30-E34 WeakPolarHBondContact O-CG 3.38Å; R30-E34 PolarHBondContact O-N 2.86Å
31S97.2Very high96.7Very high18 Ų1872.2 Ų72.213%0.12636%0.358CS..Hα-helixtrans-65.7-33.8-176.173.40000113.5K27 L28 K35 Y80K27-S31 WeakPolarHBondContact O-CB 3.29Å; K27-S31 PolarHBondContact O-N 3.06Å; K27-S31 VanDerWaalsContact O-N 3.09Å; K27-S31 PolarHBondContact O-OG 3.36Å; L28-S31 PolarHBondContact O-N 3.29Å; L28-S31 PolarHBondContact O-OG 2.95Å; S31-K35 VanDerWaalsContact O-CB 3.3Å; S31-K35 WeakPolarHBondContact O-CB 3.46Å; S31-K35 WeakPolarHBondContact O-CG 3.43Å; S31-K35 PolarHBondContact O-N 2.76Å; S31-Y80 VanDerWaalsContact CB-OH 3.24Å; S31-Y80 WeakPolarHBondContact CB-OH 3.48Å; S31-Y80 VanDerWaalsContact OG-CE1 3.31Å; S31-Y80 WeakPolarHBondContact OG-CE1 3.4Å; S31-Y80 PolarHBondContact OG-OH 3.32Å; S31-Y80 VanDerWaalsContact OG-OH 3.09Å
32L98Very high96.8Very high0 Ų071.6 Ų71.60%035%0.354CS..Hα-helixtrans-63.8-41.4174.4-74.6170.5000111.9L28 A29 R30 K36 L37 A38 I67 L77 Y80 V81L28-L32 HydrophobicContact CG-CD1 4.2Å; L28-L32 WeakPolarHBondContact O-CG 3.1Å; L28-L32 PolarHBondContact O-N 3.47Å; A29-L32 PolarHBondContact O-N 2.69Å; R30-L32 VanDerWaalsContact C-N 3.33Å; R30-L32 PolarHBondContact O-N 2.77Å; L32-K36 PolarHBondContact O-N 2.64Å; L32-L37 HydrophobicContact CD2-CB 4.07Å; L32-L37 HydrophobicContact CD2-CD1 4.07Å; L32-L37 PolarHBondContact O-N 2.79Å; L32-A38 HydrophobicContact CB-CB 4.12Å; L32-A38 PolarHBondContact O-N 2.88Å; L32-I67 HydrophobicContact CD1-CD1 3.75Å; L32-I67 HydrophobicContact CD1-CG1 4.31Å; L32-L77 HydrophobicContact CD2-CG 4.1Å; L32-Y80 HydrophobicContact CD2-CD1 3.6Å; L32-Y80 HydrophobicContact CD2-CE1 4.18Å; L32-Y80 HydrophobicContact CD2-CG 4.48Å; L32-Y80 HydrophobicContact CG-CD1 4.34Å; L32-Y80 HydrophobicContact CG-CE1 4.49Å; L32-V81 HydrophobicContact CD1-CG2 4.34Å; L32-V81 HydrophobicContact CD2-CG2 4.31Å
33V97.5Very high96.9Very high64 Ų6469.2 Ų69.239%0.38834%0.344SS..Hα-helixtrans-73.6-44.9178.7177.70000111A29 R30 K35 K36 V41A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 3.23Å; R30-V33 PolarHBondContact O-N 2.76Å; V33-K35 VanDerWaalsContact C-N 3.29Å; V33-K35 PolarHBondContact O-N 2.73Å; V33-K36 WeakPolarHBondContact O-CA 3.48Å; V33-K36 PolarHBondContact O-N 2.79Å; V33-V41 HydrophobicContact CG2-CG2 4.11Å
34E96.9Very high96.9Very high148 Ų14865.3 Ų65.369%0.69233%0.328SS*.Hα-helixtrans-58.7-40.6177.5-75.7170.8-175.700112.2R30 K36R30-E34 WeakPolarHBondContact O-CB 3.1Å; R30-E34 WeakPolarHBondContact O-CG 3.38Å; R30-E34 PolarHBondContact O-N 2.86Å; E34-K36 PolarHBondContact O-N 2.91Å
35K96.5Very high96.9Very high122 Ų12268.3 Ų68.353%0.5335%0.348SS..THydrogen-bonded Turntrans-790.9175.6-70.3174.4175.6-79.50113.7S31 V33 L37 Y80S31-K35 VanDerWaalsContact O-CB 3.3Å; S31-K35 WeakPolarHBondContact O-CB 3.46Å; S31-K35 WeakPolarHBondContact O-CG 3.43Å; S31-K35 PolarHBondContact O-N 2.76Å; V33-K35 VanDerWaalsContact C-N 3.29Å; V33-K35 PolarHBondContact O-N 2.73Å; K35-L37 HydrophobicContact CB-CD1 4.2Å; K35-L37 HydrophobicContact CB-CG 3.99Å; K35-L37 PolarHBondContact O-N 2.83Å; K35-Y80 HydrophobicContact CD-CD2 4.07Å; K35-Y80 HydrophobicContact CD-CE1 4.41Å; K35-Y80 HydrophobicContact CD-CE2 3.36Å; K35-Y80 VanDerWaalsContact CE-OH 3.3Å; K35-Y80 WeakPolarHBondContact CE-OH 3.46Å
36K94.9Very high96.7Very high168 Ų16871.9 Ų71.973%0.7339%0.385SS*.THydrogen-bonded Turntrans5827.9-178-53-179.5179.7179.70113.5L32 V33 E34L32-K36 PolarHBondContact O-N 2.64Å; V33-K36 WeakPolarHBondContact O-CA 3.48Å; V33-K36 PolarHBondContact O-N 2.79Å; E34-K36 PolarHBondContact O-N 2.91Å
37L96.1Very high96.6Very high14 Ų1470.3 Ų70.37%0.07338%0.381CS..SBendtrans-81.5-24.4172.8-62.3178.5000111.6L32 K35 T69 E76 Y80L32-L37 HydrophobicContact CD2-CB 4.07Å; L32-L37 HydrophobicContact CD2-CD1 4.07Å; L32-L37 PolarHBondContact O-N 2.79Å; K35-L37 HydrophobicContact CB-CD1 4.2Å; K35-L37 HydrophobicContact CB-CG 3.99Å; K35-L37 PolarHBondContact O-N 2.83Å; L37-T69 WeakPolarHBondContact O-CB 3.46Å; L37-T69 PolarHBondContact O-OG1 3.31Å; L37-E76 HydrophobicContact CD2-CB 3.84Å; L37-Y80 HydrophobicContact CD1-CD1 4.02Å; L37-Y80 HydrophobicContact CD1-CD2 4.06Å; L37-Y80 HydrophobicContact CD1-CG 3.61Å
38A96.2Very high96.5Very high7 Ų768.6 Ų68.66%0.05837%0.373CS..  trans-131.4148.4173.700000110.8L32 V41 I67L32-A38 HydrophobicContact CB-CB 4.12Å; L32-A38 PolarHBondContact O-N 2.88Å; A38-V41 HydrophobicContact CB-CG2 4.1Å; A38-I67 HydrophobicContact CB-CG2 3.39Å
39A92Very high96.4Very high86 Ų8669.2 Ų69.271%0.71138%0.378SS*.SBendtrans-82.5-37.417200000111.3K68A39-K68 PolarHBondContact N-O 3.3Å
40C96.1Very high96.3Very high53 Ų5374 Ų7436%0.35840%0.401SS..EExtended strand (participates in β ladder)trans-153.4148.9179.8-176.80000109.9K68C40-K68 PolarHBondContact N-O 3.34Å; C40-K68 PolarHBondContact O-N 2.92Å
41V98.1Very high96Very high25 Ų2569.8 Ų69.815%0.15239%0.386CS..EExtended strand (participates in β ladder)trans-130.1124.5172.1-175.10000108.2A29 V33 A38 L65 I67A29-V41 HydrophobicContact CB-CB 3.88Å; A29-V41 HydrophobicContact CB-CG1 3.69Å; A29-V41 HydrophobicContact CB-CG2 4.26Å; V33-V41 HydrophobicContact CG2-CG2 4.11Å; A38-V41 HydrophobicContact CB-CG2 4.1Å; V41-L65 HydrophobicContact CG1-CB 4.09Å; V41-L65 HydrophobicContact CG1-CD2 4.25Å; V41-I67 HydrophobicContact CG1-CG1 3.9Å; V41-I67 HydrophobicContact CG2-CB 4.4Å; V41-I67 HydrophobicContact CG2-CG1 4.07Å; V41-I67 HydrophobicContact CG2-CG2 3.99Å
42N98.2Very high95.9Very high59 Ų5975.2 Ų75.232%0.31641%0.409SS..EExtended strand (participates in β ladder)trans-96.9132.4168.8-61.9123.5000109L65 M66 K68N42-L65 WeakPolarHBondContact O-CA 3.25Å; N42-M66 HydrophobicContact CB-CB 4.36Å; N42-M66 HydrophobicContact CB-CE 4Å; N42-M66 PolarHBondContact N-O 2.84Å; N42-M66 PolarHBondContact O-N 3.38Å; N42-M66 WeakPolarHBondContact OD1-CE 3.31Å; N42-K68 WeakPolarHBondContact OD1-CE 3.35Å; N42-K68 PolarHBondContact OD1-NZ 3.11Å
43I98Very high95.6Very high58 Ų5881.4 Ų81.430%0.29743%0.433SS..EExtended strand (participates in β ladder)trans-102.1116.3175.8-53.7-179.9000107.2K26 A29 L63 L65K26-I43 HydrophobicContact CG-CD1 3.9Å; A29-I43 HydrophobicContact CB-CD1 4.28Å; I43-L63 HydrophobicContact CG2-CB 4.2Å; I43-L63 HydrophobicContact CG2-CD2 3.51Å; I43-L65 HydrophobicContact CB-CD2 4.28Å; I43-L65 HydrophobicContact CD1-CD2 4.45Å; I43-L65 HydrophobicContact CG1-CD2 3.74Å; I43-L65 HydrophobicContact CG2-CD2 4.17Å
44I97.7Very high95.3Very high76 Ų7687 Ų8739%0.3945%0.452SS..EExtended strand (participates in β ladder)trans-106.7109.5-178.5-55.4168.9000107.8L63 L64 M66I44-L63 WeakPolarHBondContact O-CA 3.09Å; I44-L64 HydrophobicContact CB-CB 4.26Å; I44-L64 HydrophobicContact CD1-CD2 4.42Å; I44-L64 PolarHBondContact N-O 3.31Å; I44-L64 PolarHBondContact O-N 3.31Å; I44-M66 HydrophobicContact CD1-CB 4.35Å
45P96.4Very high95.2Very high96 Ų9682.8 Ų82.862%0.62345%0.448SS*.EExtended strand (participates in β ladder)trans-80.9169.7179.434.6-35.7000112L63P45-L63 HydrophobicContact CB-CD2 4.35Å
46G93.1Very high95.1Very high76 Ų7681.3 Ų81.378%0.78445%0.449SS*.EExtended strand (participates in β ladder)trans83.517.1171.600000114.6
47L95.1Very high95.2Very high58 Ų5878.6 Ų78.630%0.30444%0.441SS..EExtended strand (participates in β ladder)trans-74133.7173.9-168.671.8000109.5T18 E62 L64T18-L47 HydrophobicContact CG2-CD2 3.59Å; L47-E62 HydrophobicContact CB-CB 4.41Å; L47-E62 WeakPolarHBondContact CB-O 3.38Å; L47-E62 HydrophobicContact CD2-CB 4.22Å; L47-E62 PolarHBondContact N-O 3.04Å; L47-E62 PolarHBondContact O-N 3.32Å; L47-L64 HydrophobicContact CD2-CB 4.26Å
48K96.3Very high95.1Very high125 Ų12580 Ų8054%0.54345%0.45SS..EExtended strand (participates in β ladder)trans-112.8118.5166.9-83.7-66.6-163.4-177.60108D60 S61K48-D60 WeakPolarHBondContact CA-O 3.2Å; K48-D60 WeakPolarHBondContact CD-O 3.47Å; K48-S61 VanDerWaalsContact CE-OG 3.27Å; K48-S61 WeakPolarHBondContact CE-OG 3.36Å; K48-S61 PolarHBondContact NZ-OG 2.88Å
49S93.8Very high95.1Very high20 Ų2085.6 Ų85.614%0.1448%0.475CS..EExtended strand (participates in β ladder)trans-104.5127.5-178.9-62.70000109E59 D60 E62S49-E59 CarbonylContact O-C 3.6Å; S49-E59 WeakPolarHBondContact O-CA 3.45Å; S49-D60 PolarHBondContact N-O 3.05Å; S49-D60 PolarHBondContact O-N 3.16Å; S49-E62 WeakPolarHBondContact CB-OE2 3.34Å; S49-E62 PolarHBondContact OG-OE2 3.29Å
50I96.2Very high95.2Very high110 Ų11084.1 Ų84.156%0.56446%0.455SS*.EExtended strand (participates in β ladder)trans-119.3120.4179.2-49.6-176.4000107.8I57 V58 E59I50-I57 HydrophobicContact CG2-CG2 3.7Å; I50-V58 WeakPolarHBondContact CA-O 3.35Å; I50-E59 HydrophobicContact CD1-CG 4.32Å; I50-E59 HydrophobicContact CG1-CG 4Å; I50-E59 HydrophobicContact CG2-CG 4.23Å
51Y92.3Very high95.1Very high83 Ų8385.2 Ų85.233%0.32546%0.463SS..EExtended strand (participates in β ladder)trans-154.4162.1-174.760.1-82.3000111.4W53 I57 V58 D60Y51-W53 HydrophobicContact CD2-CB 4.21Å; Y51-W53 HydrophobicContact CE2-CB 3.91Å; Y51-I57 WeakPolarHBondContact O-CA 3.47Å; Y51-V58 PolarHBondContact N-O 3.07Å; Y51-V58 VanDerWaalsContact N-O 3.1Å; Y51-V58 PolarHBondContact O-N 2.87Å; Y51-D60 HydrophobicContact CE1-CB 4.36Å; Y51-D60 PolarHBondContact OH-OD2 2.71Å
52E93.9Very high95.1Very high132 Ų13284.5 Ų84.562%0.61746%0.459SS*.EExtended strand (participates in β ladder)trans-89.8125.6173.7-168.4-172.1150.200110.2G55 V56 I57E52-G55 VanDerWaalsContact OE1-CA 3.29Å; E52-G55 WeakPolarHBondContact OE1-CA 3.46Å; E52-V56 WeakPolarHBondContact CA-O 3.4Å; E52-I57 HydrophobicContact CB-CD1 3.92Å; E52-I57 HydrophobicContact CG-CD1 4.28Å
53W91.5Very high95.1Very high129 Ų12982.7 Ų82.749%0.48945%0.449SS..EExtended strand (participates in β ladder)trans-129.3120.4171.1-172.2-117000110.4Y51 G55 V56 V58Y51-W53 HydrophobicContact CD2-CB 4.21Å; Y51-W53 HydrophobicContact CE2-CB 3.91Å; W53-G55 VanDerWaalsContact C-N 3.27Å; W53-G55 PolarHBondContact O-N 3.01Å; W53-V56 PolarHBondContact N-O 2.74Å; W53-V56 PolarHBondContact O-N 2.86Å; W53-V56 VanDerWaalsContact O-N 3.16Å; W53-V58 HydrophobicContact CB-CG2 4.34Å
54K92.1Very high95.1Very high183 Ų18381.6 Ų81.680%0.79644%0.443SS*.THydrogen-bonded Turntrans51.543.2-178.1-60.5-177.1176-178.40113.3V56K54-V56 VanDerWaalsContact C-N 3.32Å; K54-V56 PolarHBondContact O-N 3.4Å
55G94.5Very high95.1Very high59 Ų5978 Ų7861%0.60843%0.425SS*.THydrogen-bonded Turntrans82.43.8176.800000115.2E52 W53E52-G55 VanDerWaalsContact OE1-CA 3.29Å; E52-G55 WeakPolarHBondContact OE1-CA 3.46Å; W53-G55 VanDerWaalsContact C-N 3.27Å; W53-G55 PolarHBondContact O-N 3.01Å
56V95.2Very high95.2Very high90 Ų9075.2 Ų75.255%0.54540%0.404SS..EExtended strand (participates in β ladder)trans-121.4133.4-179.2-176.70000109.2E52 W53 K54 V58E52-V56 WeakPolarHBondContact CA-O 3.4Å; W53-V56 PolarHBondContact N-O 2.74Å; W53-V56 PolarHBondContact O-N 2.86Å; W53-V56 VanDerWaalsContact O-N 3.16Å; K54-V56 VanDerWaalsContact C-N 3.32Å; K54-V56 PolarHBondContact O-N 3.4Å; V56-V58 PolarHBondContact O-N 3.49Å
57I96.1Very high95.4Very high111 Ų11171.6 Ų71.657%0.56937%0.367SS*.EExtended strand (participates in β ladder)trans-73123170.3-58-60.3000108.4I50 Y51 E52I50-I57 HydrophobicContact CG2-CG2 3.7Å; Y51-I57 WeakPolarHBondContact O-CA 3.47Å; E52-I57 HydrophobicContact CB-CD1 3.92Å; E52-I57 HydrophobicContact CG-CD1 4.28Å
58V93.7Very high95.4Very high44 Ų4472.9 Ų72.927%0.26737%0.37SS..EExtended strand (participates in β ladder)trans-116.5143.5-179.5-177.80000108.7I50 Y51 W53 V56I50-V58 WeakPolarHBondContact CA-O 3.35Å; Y51-V58 PolarHBondContact N-O 3.07Å; Y51-V58 VanDerWaalsContact N-O 3.1Å; Y51-V58 PolarHBondContact O-N 2.87Å; W53-V58 HydrophobicContact CB-CG2 4.34Å; V56-V58 PolarHBondContact O-N 3.49Å
59E96.1Very high95.3Very high125 Ų12567.3 Ų67.358%0.58435%0.346SS*.EExtended strand (participates in β ladder)trans-118.3117.4172.3-58.2-171.4-174.100109.9S49 I50S49-E59 CarbonylContact O-C 3.6Å; S49-E59 WeakPolarHBondContact O-CA 3.45Å; I50-E59 HydrophobicContact CD1-CG 4.32Å; I50-E59 HydrophobicContact CG1-CG 4Å; I50-E59 HydrophobicContact CG2-CG 4.23Å
60D94.4Very high94.8Very high55 Ų5572.2 Ų72.229%0.29436%0.362SS..EExtended strand (participates in β ladder)trans-116.7151.9179.4-81-47.1000112.3K48 S49 Y51 E62K48-D60 WeakPolarHBondContact CA-O 3.2Å; K48-D60 WeakPolarHBondContact CD-O 3.47Å; S49-D60 PolarHBondContact N-O 3.05Å; S49-D60 PolarHBondContact O-N 3.16Å; Y51-D60 HydrophobicContact CE1-CB 4.36Å; Y51-D60 PolarHBondContact OH-OD2 2.71Å; D60-E62 HydrophobicContact CB-CG 4.29Å
61S95.4Very high94.1Very high75 Ų7567.7 Ų67.752%0.52434%0.339SS..EExtended strand (participates in β ladder)trans-93.7124.4169.6-82.10000109.7K48K48-S61 VanDerWaalsContact CE-OG 3.27Å; K48-S61 WeakPolarHBondContact CE-OG 3.36Å; K48-S61 PolarHBondContact NZ-OG 2.88Å
62E97.2Very high93.5Very high11 Ų1166.2 Ų66.25%0.05134%0.341CS..EExtended strand (participates in β ladder)trans-137.2176.4-173.3-62.3-166.3132.300111.4V19 L47 S49 D60 Y87V19-E62 WeakPolarHBondContact O-CA 3.31Å; V19-E62 WeakPolarHBondContact O-CB 3.3Å; L47-E62 HydrophobicContact CB-CB 4.41Å; L47-E62 WeakPolarHBondContact CB-O 3.38Å; L47-E62 HydrophobicContact CD2-CB 4.22Å; L47-E62 PolarHBondContact N-O 3.04Å; L47-E62 PolarHBondContact O-N 3.32Å; S49-E62 WeakPolarHBondContact CB-OE2 3.34Å; S49-E62 PolarHBondContact OG-OE2 3.29Å; D60-E62 HydrophobicContact CB-CG 4.29Å; E62-Y87 WeakPolarHBondContact OE1-CE2 3.31Å; E62-Y87 VanDerWaalsContact OE1-CZ 3.31Å; E62-Y87 PolarHBondContact OE1-OH 2.9Å
63L97.5Very high93.3Very high20 Ų2064.5 Ų64.511%0.10533%0.329CS..EExtended strand (participates in β ladder)trans-123.1146.1168.1-5584.4000109.1T18 V19 N21 E22 I43 I44 P45T18-L63 WeakPolarHBondContact CA-O 3.46Å; V19-L63 HydrophobicContact CG2-CB 3.82Å; V19-L63 HydrophobicContact CG2-CD1 4.4Å; V19-L63 PolarHBondContact N-O 2.94Å; V19-L63 PolarHBondContact O-N 3.39Å; N21-L63 VanDerWaalsContact CA-CD1 3.44Å; E22-L63 HydrophobicContact CB-CD2 4.27Å; E22-L63 HydrophobicContact CG-CD2 4.49Å; I43-L63 HydrophobicContact CG2-CB 4.2Å; I43-L63 HydrophobicContact CG2-CD2 3.51Å; I44-L63 WeakPolarHBondContact O-CA 3.09Å; P45-L63 HydrophobicContact CB-CD2 4.35Å
64L98Very high93.3Very high35 Ų3559.4 Ų59.418%0.18331%0.311CS..EExtended strand (participates in β ladder)trans-97.8122.8173.4-172.463.4000109.9Y16 T18 I44 L47Y16-L64 HydrophobicContact CD1-CD1 4.16Å; Y16-L64 HydrophobicContact CD1-CD2 3.82Å; Y16-L64 HydrophobicContact CD1-CG 4.07Å; Y16-L64 HydrophobicContact CE1-CD2 4.27Å; T18-L64 HydrophobicContact CG2-CD1 4.01Å; I44-L64 HydrophobicContact CB-CB 4.26Å; I44-L64 HydrophobicContact CD1-CD2 4.42Å; I44-L64 PolarHBondContact N-O 3.31Å; I44-L64 PolarHBondContact O-N 3.31Å; L47-L64 HydrophobicContact CD2-CB 4.26Å
65L98.2Very high93.1Very high0 Ų055.1 Ų55.10%029%0.294CS..EExtended strand (participates in β ladder)trans-88.5118.3167.1-54.6-173.7000108.8Y16 V17 V19 L28 V41 N42 I43 I67Y16-L65 WeakPolarHBondContact CA-O 3.46Å; V17-L65 HydrophobicContact CB-CB 4.25Å; V17-L65 PolarHBondContact N-O 3.06Å; V17-L65 WeakPolarHBondContact O-CB 3.43Å; V17-L65 PolarHBondContact O-N 3.39Å; V19-L65 HydrophobicContact CG1-CD1 3.73Å; V19-L65 HydrophobicContact CG1-CG 4.03Å; V19-L65 HydrophobicContact CG2-CD2 4.25Å; V19-L65 HydrophobicContact CG2-CG 4.19Å; L28-L65 HydrophobicContact CB-CD1 4.46Å; L28-L65 HydrophobicContact CD2-CD1 3.96Å; L28-L65 HydrophobicContact CG-CD1 4.38Å; V41-L65 HydrophobicContact CG1-CB 4.09Å; V41-L65 HydrophobicContact CG1-CD2 4.25Å; N42-L65 WeakPolarHBondContact O-CA 3.25Å; I43-L65 HydrophobicContact CB-CD2 4.28Å; I43-L65 HydrophobicContact CD1-CD2 4.45Å; I43-L65 HydrophobicContact CG1-CD2 3.74Å; I43-L65 HydrophobicContact CG2-CD2 4.17Å; L65-I67 HydrophobicContact CB-CD1 4.32Å; L65-I67 HydrophobicContact CB-CG1 4.09Å
66M98Very high93.1Very high39 Ų3957 Ų5719%0.19229%0.286CS..EExtended strand (participates in β ladder)trans-100.7102.6169.4-176.8177.959.600108.7V14 Y16 N42 I44V14-M66 HydrophobicContact CG1-CG 3.48Å; V14-M66 VanDerWaalsContact CG1-CG 3.48Å; V14-M66 HydrophobicContact CG1-SD 4.3Å; Y16-M66 HydrophobicContact CD1-CB 4.33Å; Y16-M66 HydrophobicContact CD1-CG 4.35Å; Y16-M66 HydrophobicContact CE1-CB 4.05Å; Y16-M66 HydrophobicContact CE1-CG 3.72Å; Y16-M66 HydrophobicContact CE1-SD 4.05Å; N42-M66 HydrophobicContact CB-CB 4.36Å; N42-M66 HydrophobicContact CB-CE 4Å; N42-M66 PolarHBondContact N-O 2.84Å; N42-M66 PolarHBondContact O-N 3.38Å; N42-M66 WeakPolarHBondContact OD1-CE 3.31Å; I44-M66 HydrophobicContact CD1-CB 4.35Å
67I98.1Very high93.2Very high0 Ų052.7 Ų52.70%026%0.26CS..EExtended strand (participates in β ladder)trans-102.7115.7-169.5-54.5160.8000109.7V14 A15 V17 L32 A38 V41 L65 L77V14-I67 CarbonylContact C-O 3.54Å; V14-I67 VanDerWaalsContact CA-O 3.32Å; V14-I67 WeakPolarHBondContact CA-O 3.26Å; A15-I67 HydrophobicContact CB-CB 4.25Å; A15-I67 PolarHBondContact N-O 2.79Å; A15-I67 WeakPolarHBondContact O-CB 3.42Å; A15-I67 PolarHBondContact O-N 3.16Å; V17-I67 HydrophobicContact CB-CD1 4.24Å; V17-I67 HydrophobicContact CG2-CD1 3.7Å; L32-I67 HydrophobicContact CD1-CD1 3.75Å; L32-I67 HydrophobicContact CD1-CG1 4.31Å; A38-I67 HydrophobicContact CB-CG2 3.39Å; V41-I67 HydrophobicContact CG1-CG1 3.9Å; V41-I67 HydrophobicContact CG2-CB 4.4Å; V41-I67 HydrophobicContact CG2-CG1 4.07Å; V41-I67 HydrophobicContact CG2-CG2 3.99Å; L65-I67 HydrophobicContact CB-CD1 4.32Å; L65-I67 HydrophobicContact CB-CG1 4.09Å; I67-L77 HydrophobicContact CG2-CD1 3.59Å
68K95.6Very high93.2Very high85 Ų8547.9 Ų47.937%0.3724%0.237SC..EExtended strand (participates in β ladder)trans-97.3119.2-179.7-63.7164.2-177.1164.40109.1V14 A39 C40 N42V14-K68 HydrophobicContact CG2-CG 4.38Å; A39-K68 PolarHBondContact N-O 3.3Å; C40-K68 PolarHBondContact N-O 3.34Å; C40-K68 PolarHBondContact O-N 2.92Å; N42-K68 WeakPolarHBondContact OD1-CE 3.35Å; N42-K68 PolarHBondContact OD1-NZ 3.11Å
69T93.3Very high93.3Very high8 Ų848.4 Ų48.45%0.04925%0.246CC..EExtended strand (participates in β ladder)trans-144.9176.9-177.3-164.70000112.3F12 S13 L37 I74 L77F12-T69 CarbonylContact C-O 3.58Å; F12-T69 WeakPolarHBondContact CA-O 3.49Å; S13-T69 PolarHBondContact N-O 2.94Å; S13-T69 PolarHBondContact O-N 2.8Å; S13-T69 VanDerWaalsContact O-O 3.14Å; L37-T69 WeakPolarHBondContact O-CB 3.46Å; L37-T69 PolarHBondContact O-OG1 3.31Å; T69-I74 HydrophobicContact CG2-CD1 3.73Å; T69-I74 HydrophobicContact CG2-CG1 4.3Å; T69-L77 HydrophobicContact CG2-CD1 3.91Å
70R84.4Confident93.3Very high123 Ų12344.4 Ų44.446%0.46423%0.226SC..EExtended strand (participates in β ladder)trans-77.6141.2167.2-66.1179.9178.2-84.41.3108.8F12 S72 R73F12-R70 HydrophobicContact CD1-CG 4.35Å; F12-R70 HydrophobicContact CE1-CG 4.27Å; R70-S72 PolarHBondContact O-N 2.94Å; R70-R73 HydrophobicContact CB-CG 4.44Å; R70-R73 WeakPolarHBondContact O-CB 3.3Å; R70-R73 PolarHBondContact O-N 3.42Å
71T80.5Confident93.5Very high15 Ų1541.8 Ų41.89%0.09221%0.212CC..G310 helixtrans-57.4-35.5-179.7-53.30000112.2L7 V11 F12 S13 R73 I74L7-T71 HydrophobicContact CB-CG2 3.89Å; L7-T71 HydrophobicContact CD1-CG2 3.39Å; L7-T71 HydrophobicContact CG-CG2 4.13Å; V11-T71 VanDerWaalsContact C-OG1 3.31Å; V11-T71 WeakPolarHBondContact CG1-OG1 3.42Å; V11-T71 PolarHBondContact O-N 3.42Å; V11-T71 PolarHBondContact O-OG1 2.99Å; F12-T71 PolarHBondContact O-OG1 3.25Å; S13-T71 WeakPolarHBondContact OG-CB 3.21Å; S13-T71 WeakPolarHBondContact OG-CG2 3.46Å; S13-T71 PolarHBondContact OG-OG1 3.11Å; T71-R73 PolarHBondContact O-N 2.96Å; T71-R73 VanDerWaalsContact O-N 3.09Å; T71-I74 WeakPolarHBondContact O-CB 3.21Å; T71-I74 WeakPolarHBondContact O-CG1 3.39Å; T71-I74 PolarHBondContact O-N 3.4Å; T71-I74 VanDerWaalsContact O-N 3.1Å
72S80.7Confident93.5Very high51 Ų5145.1 Ų45.136%0.35721%0.213SC..G310 helixtrans-63.2-12174.759.20000115.4R70R70-S72 PolarHBondContact O-N 2.94Å
73R89.9Confident93.4Very high97 Ų9748.5 Ų48.537%0.36624%0.242SC..G310 helixtrans-97.2-3.8176.5-68.7-66.2-174.1-167.5-7.7113.4R70 T71 E75 E76 L77R70-R73 HydrophobicContact CB-CG 4.44Å; R70-R73 WeakPolarHBondContact O-CB 3.3Å; R70-R73 PolarHBondContact O-N 3.42Å; T71-R73 PolarHBondContact O-N 2.96Å; T71-R73 VanDerWaalsContact O-N 3.09Å; R73-E75 VanDerWaalsContact C-N 3.33Å; R73-E75 PolarHBondContact O-N 3.36Å; R73-E76 IonicContact CZ-OE2 3.83Å; R73-E76 VanDerWaalsContact NH1-CD 3.32Å; R73-E76 IonicContact NH1-OE1 3.11Å; R73-E76 PolarHBondContact NH1-OE1 3.47Å; R73-E76 VanDerWaalsContact NH1-OE1 3.11Å; R73-E76 IonicContact NH1-OE2 2.75Å; R73-E76 PolarHBondContact NH1-OE2 2.68Å; R73-E76 PolarHBondContact O-N 3.29Å; R73-L77 WeakPolarHBondContact O-CB 3.12Å; R73-L77 PolarHBondContact O-N 3.38Å
74I90Very high93.4Very high22 Ų2251.6 Ų51.611%0.11326%0.259CS..Hα-helixtrans-62.3-39.3-171.8-73.9-70.1000112.2A15 T69 T71 S78 T94A15-I74 HydrophobicContact CB-CD1 4.26Å; T69-I74 HydrophobicContact CG2-CD1 3.73Å; T69-I74 HydrophobicContact CG2-CG1 4.3Å; T71-I74 WeakPolarHBondContact O-CB 3.21Å; T71-I74 WeakPolarHBondContact O-CG1 3.39Å; T71-I74 PolarHBondContact O-N 3.4Å; T71-I74 VanDerWaalsContact O-N 3.1Å; I74-S78 VanDerWaalsContact O-CB 3.22Å; I74-S78 WeakPolarHBondContact O-CB 3.3Å; I74-S78 PolarHBondContact O-N 2.95Å; I74-S78 PolarHBondContact O-OG 3.06Å; I74-T94 HydrophobicContact CD1-CG2 3.85Å; I74-T94 HydrophobicContact CG2-CG2 3.78Å
75E89.2Confident93.3Very high92 Ų9250.8 Ų50.843%0.4325%0.254SS..Hα-helixtrans-67.3-50.2179.2-72.6-176.8-166.400112.3S4 L5 R73 L77 S78 A79S4-E75 WeakPolarHBondContact CA-OE1 3.45Å; S4-E75 WeakPolarHBondContact CA-OE2 3.4Å; S4-E75 WeakPolarHBondContact CB-OE2 3.47Å; L5-E75 PolarHBondContact N-OE1 3.2Å; R73-E75 VanDerWaalsContact C-N 3.33Å; R73-E75 PolarHBondContact O-N 3.36Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.43Å; E75-S78 PolarHBondContact O-N 3.16Å; E75-A79 WeakPolarHBondContact O-CB 3.02Å; E75-A79 PolarHBondContact O-N 3.15Å
76E93.8Very high93.2Very high98 Ų9854.3 Ų54.346%0.45828%0.277SS..Hα-helixtrans-59.7-42.9176.1-68.2176.5-152.800111.5L37 R73 Y80L37-E76 HydrophobicContact CD2-CB 3.84Å; R73-E76 IonicContact CZ-OE2 3.83Å; R73-E76 VanDerWaalsContact NH1-CD 3.32Å; R73-E76 IonicContact NH1-OE1 3.11Å; R73-E76 PolarHBondContact NH1-OE1 3.47Å; R73-E76 VanDerWaalsContact NH1-OE1 3.11Å; R73-E76 IonicContact NH1-OE2 2.75Å; R73-E76 PolarHBondContact NH1-OE2 2.68Å; R73-E76 PolarHBondContact O-N 3.29Å; E76-Y80 VanDerWaalsContact O-CB 3.24Å; E76-Y80 WeakPolarHBondContact O-CB 3.46Å; E76-Y80 PolarHBondContact O-N 3.42Å
77L96.5Very high93Very high0 Ų055.9 Ų55.90%028%0.281CS..Hα-helixtrans-60.9-48.5175.4177155.9000111.1A15 L32 I67 T69 R73 E75 Y80 V81 V92A15-L77 HydrophobicContact CB-CD2 4.12Å; L32-L77 HydrophobicContact CD2-CG 4.1Å; I67-L77 HydrophobicContact CG2-CD1 3.59Å; T69-L77 HydrophobicContact CG2-CD1 3.91Å; R73-L77 WeakPolarHBondContact O-CB 3.12Å; R73-L77 PolarHBondContact O-N 3.38Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.43Å; L77-Y80 PolarHBondContact O-N 2.87Å; L77-V81 HydrophobicContact CD2-CG2 4.07Å; L77-V81 VanDerWaalsContact O-CG2 3.31Å; L77-V81 WeakPolarHBondContact O-CG2 3.26Å; L77-V81 PolarHBondContact O-N 2.98Å; L77-V92 HydrophobicContact CD2-CG1 4.43Å
78S95.9Very high92.5Very high10 Ų1061 Ų617%0.0732%0.317CS..Hα-helixtrans-66.5-40.6-176.7-590000111.5I74 E75 R82I74-S78 VanDerWaalsContact O-CB 3.22Å; I74-S78 WeakPolarHBondContact O-CB 3.3Å; I74-S78 PolarHBondContact O-N 2.95Å; I74-S78 PolarHBondContact O-OG 3.06Å; E75-S78 PolarHBondContact O-N 3.16Å; S78-R82 VanDerWaalsContact CB-NH2 3.33Å; S78-R82 WeakPolarHBondContact O-CB 3.16Å; S78-R82 WeakPolarHBondContact O-CG 3.27Å; S78-R82 PolarHBondContact O-N 3.44Å; S78-R82 PolarHBondContact O-NE 3.45Å
79A96Very high92.3Very high55 Ų5562.2 Ų62.246%0.45533%0.332SS..Hα-helixtrans-62.7-43.4173.600000111.4E75 R82 A83E75-A79 WeakPolarHBondContact O-CB 3.02Å; E75-A79 PolarHBondContact O-N 3.15Å; A79-R82 PolarHBondContact O-N 3.27Å; A79-A83 WeakPolarHBondContact O-CB 3.46Å; A79-A83 PolarHBondContact O-N 3.44Å
80Y97.2Very high92.2Very high42 Ų4262.6 Ų62.617%0.16534%0.335CS..Hα-helixtrans-64.9-43.6178.3-174.4-92.1000112.5L28 S31 L32 K35 L37 E76 L77 A83 N84L28-Y80 HydrophobicContact CD1-CD1 4.35Å; L28-Y80 HydrophobicContact CD1-CE1 4.09Å; S31-Y80 VanDerWaalsContact CB-OH 3.24Å; S31-Y80 WeakPolarHBondContact CB-OH 3.48Å; S31-Y80 VanDerWaalsContact OG-CE1 3.31Å; S31-Y80 WeakPolarHBondContact OG-CE1 3.4Å; S31-Y80 PolarHBondContact OG-OH 3.32Å; S31-Y80 VanDerWaalsContact OG-OH 3.09Å; L32-Y80 HydrophobicContact CD2-CD1 3.6Å; L32-Y80 HydrophobicContact CD2-CE1 4.18Å; L32-Y80 HydrophobicContact CD2-CG 4.48Å; L32-Y80 HydrophobicContact CG-CD1 4.34Å; L32-Y80 HydrophobicContact CG-CE1 4.49Å; K35-Y80 HydrophobicContact CD-CD2 4.07Å; K35-Y80 HydrophobicContact CD-CE1 4.41Å; K35-Y80 HydrophobicContact CD-CE2 3.36Å; K35-Y80 VanDerWaalsContact CE-OH 3.3Å; K35-Y80 WeakPolarHBondContact CE-OH 3.46Å; L37-Y80 HydrophobicContact CD1-CD1 4.02Å; L37-Y80 HydrophobicContact CD1-CD2 4.06Å; L37-Y80 HydrophobicContact CD1-CG 3.61Å; E76-Y80 VanDerWaalsContact O-CB 3.24Å; E76-Y80 WeakPolarHBondContact O-CB 3.46Å; E76-Y80 PolarHBondContact O-N 3.42Å; L77-Y80 PolarHBondContact O-N 2.87Å; Y80-A83 PolarHBondContact O-N 2.92Å; Y80-N84 WeakPolarHBondContact CE2-ND2 3.29Å; Y80-N84 PolarHBondContact O-N 3.33Å; Y80-N84 VanDerWaalsContact O-N 3.17Å; Y80-N84 PolarHBondContact O-ND2 2.89Å
81V97.4Very high92.6Very high0 Ų060.2 Ų60.20%033%0.33CS..Hα-helixtrans-58.4-54.5174.7169.50000109.2V17 L28 L32 L77 A83 N84 H85 A90 V92V17-V81 HydrophobicContact CG1-CG1 3.8Å; V17-V81 HydrophobicContact CG2-CG1 4.18Å; V17-V81 HydrophobicContact CG2-CG2 4.39Å; L28-V81 HydrophobicContact CD2-CG1 4.34Å; L28-V81 HydrophobicContact CD2-CG2 4.42Å; L32-V81 HydrophobicContact CD1-CG2 4.34Å; L32-V81 HydrophobicContact CD2-CG2 4.31Å; L77-V81 HydrophobicContact CD2-CG2 4.07Å; L77-V81 VanDerWaalsContact O-CG2 3.31Å; L77-V81 WeakPolarHBondContact O-CG2 3.26Å; L77-V81 PolarHBondContact O-N 2.98Å; V81-A83 VanDerWaalsContact C-N 3.26Å; V81-A83 PolarHBondContact O-N 2.91Å; V81-N84 CarbonylContact O-C 3.55Å; V81-N84 PolarHBondContact O-N 3.38Å; V81-H85 VanDerWaalsContact O-CB 3.29Å; V81-H85 WeakPolarHBondContact O-CB 3.43Å; V81-H85 PolarHBondContact O-N 3.25Å; V81-A90 HydrophobicContact CG1-CB 4.39Å; V81-V92 HydrophobicContact CB-CG2 4.21Å; V81-V92 HydrophobicContact CG1-CG2 3.75Å
82R96.2Very high93.4Very high145 Ų14560.9 Ų60.955%0.54733%0.334SS..Hα-helixtrans-56.5-37.1-179.9-75.7-174.8-82.6-104.26.2113.5S78 A79 N84 A90S78-R82 VanDerWaalsContact CB-NH2 3.33Å; S78-R82 WeakPolarHBondContact O-CB 3.16Å; S78-R82 WeakPolarHBondContact O-CG 3.27Å; S78-R82 PolarHBondContact O-N 3.44Å; S78-R82 PolarHBondContact O-NE 3.45Å; A79-R82 PolarHBondContact O-N 3.27Å; R82-N84 VanDerWaalsContact C-N 3.35Å; R82-A90 HydrophobicContact CG-CB 4.39Å
83A96Very high94Very high82 Ų8262.7 Ų62.768%0.67834%0.338SS*.Hα-helixtrans-74.7-20.717900000114.3A79 Y80 V81A79-A83 WeakPolarHBondContact O-CB 3.46Å; A79-A83 PolarHBondContact O-N 3.44Å; Y80-A83 PolarHBondContact O-N 2.92Å; V81-A83 VanDerWaalsContact C-N 3.26Å; V81-A83 PolarHBondContact O-N 2.91Å
84N96.5Very high94.1Very high85 Ų8560.8 Ų60.846%0.45534%0.338SS..Hα-helixtrans-118.74.2-174.6-66.4-89.3000113.3L28 Y80 V81 R82L28-N84 HydrophobicContact CD1-CB 4.22Å; Y80-N84 WeakPolarHBondContact CE2-ND2 3.29Å; Y80-N84 PolarHBondContact O-N 3.33Å; Y80-N84 VanDerWaalsContact O-N 3.17Å; Y80-N84 PolarHBondContact O-ND2 2.89Å; V81-N84 CarbonylContact O-C 3.55Å; V81-N84 PolarHBondContact O-N 3.38Å; R82-N84 VanDerWaalsContact C-N 3.35Å
85H96.8Very high93.8Very high17 Ų1764.1 Ų64.18%0.07936%0.355CS..  trans-85140.4179.1-152.5-95.2000111.1T18 V81 Y87 A90T18-H85 PolarHBondContact O-CE1 3.05Å; T18-H85 VanDerWaalsContact O-CE1 3.31Å; T18-H85 PolarHBondContact O-NE2 3.18Å; V81-H85 VanDerWaalsContact O-CB 3.29Å; V81-H85 WeakPolarHBondContact O-CB 3.43Å; V81-H85 PolarHBondContact O-N 3.25Å; H85-Y87 VanDerWaalsContact C-N 3.29Å; H85-Y87 AromaticContact CE1-CD2 3.41Å; H85-Y87 VanDerWaalsContact CE1-CD2 3.41Å; H85-Y87 WeakPolarHBondContact CE1-CD2 3.32Å; H85-Y87 AromaticContact CE1-CE2 3.99Å; H85-Y87 AromaticContact CE1-CG 3.67Å; H85-Y87 WeakPolarHBondContact ND1-CB 3.49Å; H85-Y87 AromaticContact ND1-CD2 3.8Å; H85-Y87 AromaticContact ND1-CG 3.66Å; H85-Y87 PolarHBondContact ND1-N 2.73Å; H85-Y87 PolarHBondContact O-N 3.3Å; H85-A90 HydrophobicContact CB-CB 3.61Å
86P95.2Very high93.3Very high75 Ų7562.7 Ų62.749%0.48735%0.354SS..SBendtrans-70.6-23.5177.227.4-35.6000113.6P20 V24P20-P86 HydrophobicContact CG-CG 3.65Å; V24-P86 HydrophobicContact CG1-CG 3.98Å; V24-P86 HydrophobicContact CG2-CG 4.41Å
87Y93.3Very high92.1Very high71 Ų7164.3 Ų64.328%0.27836%0.357SS..SBendtrans-80.5142.4178.4-59.7-19.7000112P20 E62 H85 V89P20-Y87 HydrophobicContact CB-CE1 4.03Å; P20-Y87 WeakPolarHBondContact CB-OH 3.3Å; P20-Y87 HydrophobicContact CG-CE1 4.19Å; E62-Y87 WeakPolarHBondContact OE1-CE2 3.31Å; E62-Y87 VanDerWaalsContact OE1-CZ 3.31Å; E62-Y87 PolarHBondContact OE1-OH 2.9Å; H85-Y87 VanDerWaalsContact C-N 3.29Å; H85-Y87 AromaticContact CE1-CD2 3.41Å; H85-Y87 VanDerWaalsContact CE1-CD2 3.41Å; H85-Y87 WeakPolarHBondContact CE1-CD2 3.32Å; H85-Y87 AromaticContact CE1-CE2 3.99Å; H85-Y87 AromaticContact CE1-CG 3.67Å; H85-Y87 WeakPolarHBondContact ND1-CB 3.49Å; H85-Y87 AromaticContact ND1-CD2 3.8Å; H85-Y87 AromaticContact ND1-CG 3.66Å; H85-Y87 PolarHBondContact ND1-N 2.73Å; H85-Y87 PolarHBondContact O-N 3.3Å; Y87-V89 PolarHBondContact O-N 3.32Å
88S88.5Confident90.3Very high107 Ų10768.6 Ų68.675%0.74838%0.376SS*.SBendtrans-62.3-29.7172.960.40000113
89V90.6Very high88.2Confident112 Ų11269 Ų6968%0.67938%0.381SS*.SBendtrans-125.394.7174-174.20000107.9Y87Y87-V89 PolarHBondContact O-N 3.32Å
90A92.6Very high85.7Confident15 Ų1570.9 Ų70.912%0.12439%0.389CS..  trans-78.8126.2176.100000110.5V81 R82 H85 V92V81-A90 HydrophobicContact CG1-CB 4.39Å; R82-A90 HydrophobicContact CG-CB 4.39Å; H85-A90 HydrophobicContact CB-CB 3.61Å; A90-V92 PolarHBondContact O-N 2.94Å
91E93Very high83.2Confident73 Ų7372.9 Ų72.934%0.34140%0.401SS..  trans-67.9128170.4-174.6-171.7163.200109.9T18 I93T18-E91 WeakPolarHBondContact CG2-OE2 3.38Å; T18-E91 WeakPolarHBondContact OG1-CB 3.49Å; T18-E91 PolarHBondContact OG1-OE2 2.86Å; E91-I93 HydrophobicContact CG-CD1 4.23Å; E91-I93 HydrophobicContact CG-CG1 4.02Å; E91-I93 WeakPolarHBondContact OE1-CD1 3.49Å
92V95.6Very high80.7Confident30 Ų3079.9 Ų79.918%0.18244%0.438CS..  trans-140.695.9169.5-170.70000108Y16 V17 L77 V81 A90 T94Y16-V92 WeakPolarHBondContact O-CA 3.48Å; V17-V92 HydrophobicContact CG2-CB 4.43Å; V17-V92 HydrophobicContact CG2-CG1 4.17Å; V17-V92 HydrophobicContact CG2-CG2 4.15Å; L77-V92 HydrophobicContact CD2-CG1 4.43Å; V81-V92 HydrophobicContact CB-CG2 4.21Å; V81-V92 HydrophobicContact CG1-CG2 3.75Å; A90-V92 PolarHBondContact O-N 2.94Å; V92-T94 HydrophobicContact CG1-CG2 4.25Å
93I94.2Very high78.5Confident88 Ų8879.9 Ų79.945%0.45145%0.449SS..EExtended strand (participates in β ladder)trans-100.4130.9176.7-61.1179000108.6A15 Y16 E91A15-I93 CarbonylContact C-O 3.54Å; A15-I93 VanDerWaalsContact CA-O 3.3Å; A15-I93 WeakPolarHBondContact CA-O 3.26Å; Y16-I93 PolarHBondContact N-O 2.9Å; Y16-I93 PolarHBondContact O-N 2.8Å; E91-I93 HydrophobicContact CG-CD1 4.23Å; E91-I93 HydrophobicContact CG-CG1 4.02Å; E91-I93 WeakPolarHBondContact OE1-CD1 3.49Å
94T91Very high76.7Confident57 Ų5776.5 Ų76.535%0.3542%0.421SS..EExtended strand (participates in β ladder)trans-121.4127.5-174.861.60000110.9V14 A15 I74 V92V14-T94 CarbonylContact O-C 3.54Å; V14-T94 WeakPolarHBondContact O-CA 3.44Å; A15-T94 HydrophobicContact CB-CG2 4.01Å; I74-T94 HydrophobicContact CD1-CG2 3.85Å; I74-T94 HydrophobicContact CG2-CG2 3.78Å; V92-T94 HydrophobicContact CG1-CG2 4.25Å
95L85.1Confident75.4Confident92 Ų9277 Ų7748%0.48242%0.424SS..EExtended strand (participates in β ladder)trans-112.3118.3174.2-58-176.5000109S13 V14 Y16S13-L95 WeakPolarHBondContact CA-O 3.38Å; V14-L95 PolarHBondContact N-O 2.82Å; V14-L95 PolarHBondContact O-N 2.84Å; Y16-L95 HydrophobicContact CD2-CD1 4.41Å; Y16-L95 HydrophobicContact CD2-CG 4.48Å; Y16-L95 HydrophobicContact CE2-CD1 3.7Å; Y16-L95 HydrophobicContact CE2-CG 4.13Å
96P78Confident74.4Confident63 Ų6380 Ų8041%0.40945%0.446SS..EExtended strand (participates in β ladder)trans-69.3139.2172.529.7-33.5000110.3F98P96-F98 HydrophobicContact CB-CD2 4.48Å; P96-F98 HydrophobicContact CB-CE1 4.29Å; P96-F98 HydrophobicContact CB-CE2 3.69Å; P96-F98 HydrophobicContact CB-CZ 3.57Å; P96-F98 HydrophobicContact CG-CE2 3.6Å; P96-F98 HydrophobicContact CG-CZ 3.8Å
97Y68.6Low73.8Confident132 Ų13280.7 Ų80.752%0.51844%0.443SS..EExtended strand (participates in β ladder)trans-107.4111.6173.1176.6-106.9000109.7F12 G99F12-Y97 HydrophobicContact CB-CD1 4.39Å; F12-Y97 PolarHBondContact O-N 2.79Å; Y97-G99 VanDerWaalsContact CE1-CA 3.4Å; Y97-G99 VanDerWaalsContact OH-CA 3.31Å; Y97-G99 WeakPolarHBondContact OH-CA 3.17Å
98F59.4Low73.6Confident89 Ų8978.7 Ų78.739%0.3944%0.435SS..  trans-103.978.1170.1-46-78.2000106.5V11 P96V11-F98 HydrophobicContact CG1-CD1 3.98Å; V11-F98 HydrophobicContact CG1-CE1 3.93Å; P96-F98 HydrophobicContact CB-CD2 4.48Å; P96-F98 HydrophobicContact CB-CE1 4.29Å; P96-F98 HydrophobicContact CB-CE2 3.69Å; P96-F98 HydrophobicContact CB-CZ 3.57Å; P96-F98 HydrophobicContact CG-CE2 3.6Å; P96-F98 HydrophobicContact CG-CZ 3.8Å
99G51.9Low73.6Confident18 Ų1879.6 Ų79.619%0.18643%0.426CS..  trans-62.8164.3175.500000111.8Y97 M101Y97-G99 VanDerWaalsContact CE1-CA 3.4Å; Y97-G99 VanDerWaalsContact OH-CA 3.31Å; Y97-G99 WeakPolarHBondContact OH-CA 3.17Å; G99-M101 PolarHBondContact O-N 3.06Å
100P43.5Very low73.5Confident95 Ų9575.4 Ų75.462%0.61740%0.403SS*.  trans-59.5111.4172.824.5-30.8000108.1D102P100-D102 PolarHBondContact O-N 3.22Å
101M44.4Very low73.5Confident84 Ų8475 Ų7541%0.41440%0.4SS..  trans-88.692.8175.3-74.5-95.9-153.100106.5G99 N238G99-M101 PolarHBondContact O-N 3.06Å; M101-N238 WeakPolarHBondContact CE-ND2 3.29Å
102D43.8Very low73.5Confident148 Ų14875.8 Ų75.879%0.79140%0.403SS*.THydrogen-bonded Turntrans58.2177.7176.7-59.6-35.7000114.7P100 A104P100-D102 PolarHBondContact O-N 3.22Å; D102-A104 PolarHBondContact O-N 3.46Å
103D50.3Low73.3Confident145 Ų14580 Ų8078%0.77542%0.421SS*.THydrogen-bonded Turntrans-55.64.2-172.6-70-44000116.1D105 S106D103-D105 PolarHBondContact O-N 3.25Å; D103-S106 PolarHBondContact O-N 3Å; D103-S106 VanDerWaalsContact O-N 3.09Å; D103-S106 PolarHBondContact O-OG 3.44Å
104A57.5Low73.3Confident10 Ų1078.3 Ų78.38%0.08341%0.409CS..Hα-helixtrans-58.4-25.9179.600000113.8D102 S106 E107 Y108 T236D102-A104 PolarHBondContact O-N 3.46Å; A104-S106 PolarHBondContact O-N 3.39Å; A104-S106 VanDerWaalsContact O-N 3.16Å; A104-E107 PolarHBondContact O-N 3.33Å; A104-Y108 HydrophobicContact CB-CD2 4.06Å; A104-Y108 HydrophobicContact CB-CE2 3.89Å; A104-Y108 WeakPolarHBondContact O-CD2 3.25Å; A104-Y108 PolarHBondContact O-N 2.98Å; A104-T236 HydrophobicContact CB-CG2 3.81Å
105D69.2Low73.4Confident97 Ų9777.9 Ų77.952%0.51940%0.401SS..Hα-helixtrans-56.2-32.6174.8-85.9-4.3000111.7D103 K109D103-D105 PolarHBondContact O-N 3.25Å; D105-K109 VanDerWaalsContact O-CB 3.3Å; D105-K109 WeakPolarHBondContact O-CB 3.4Å; D105-K109 PolarHBondContact O-N 2.86Å
106S76.3Confident73.8Confident79 Ų7979 Ų7955%0.55240%0.403SS*.Hα-helixtrans-72.1-39.8176700000112.4D103 A104 A110D103-S106 PolarHBondContact O-N 3Å; D103-S106 VanDerWaalsContact O-N 3.09Å; D103-S106 PolarHBondContact O-OG 3.44Å; A104-S106 PolarHBondContact O-N 3.39Å; A104-S106 VanDerWaalsContact O-N 3.16Å; S106-A110 WeakPolarHBondContact O-CB 3.44Å; S106-A110 PolarHBondContact O-N 3.06Å
107E82.1Confident74.5Confident89 Ų8980.2 Ų80.242%0.41642%0.417SS..Hα-helixtrans-69.7-44.8178.4-65.3176.2169.700111.5A104 K109 A110 A111A104-E107 PolarHBondContact O-N 3.33Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 PolarHBondContact O-N 3.41Å; E107-A110 PolarHBondContact O-N 3.22Å; E107-A111 WeakPolarHBondContact O-CB 3.44Å; E107-A111 PolarHBondContact O-N 3.46Å
108Y89.7Confident75.5Confident30 Ų3075.5 Ų75.512%0.11840%0.401CS..Hα-helixtrans-60-41.1175.4-78.5-63.3000112A104 A111 E112 Q214 Q234 L235 T236 D239A104-Y108 HydrophobicContact CB-CD2 4.06Å; A104-Y108 HydrophobicContact CB-CE2 3.89Å; A104-Y108 WeakPolarHBondContact O-CD2 3.25Å; A104-Y108 PolarHBondContact O-N 2.98Å; Y108-A111 PolarHBondContact O-N 3.46Å; Y108-E112 WeakPolarHBondContact O-CB 3.45Å; Y108-E112 PolarHBondContact O-N 3.02Å; Y108-Q214 HydrophobicContact CE1-CB 4.28Å; Y108-Q214 HydrophobicContact CE1-CG 4.2Å; Y108-Q214 HydrophobicContact CE2-CG 4.29Å; Y108-Q234 WeakPolarHBondContact CE1-O 3.37Å; Y108-L235 HydrophobicContact CE1-CD2 4.03Å; Y108-T236 HydrophobicContact CE2-CG2 4.14Å; Y108-T236 PolarHBondContact OH-N 2.76Å; Y108-T236 VanDerWaalsContact OH-N 3.15Å; Y108-D239 VanDerWaalsContact OH-CB 3.28Å; Y108-D239 WeakPolarHBondContact OH-CB 3.5Å; Y108-D239 VanDerWaalsContact OH-CG 3.32Å; Y108-D239 PolarHBondContact OH-OD2 3.09Å
109K88.6Confident76.7Confident125 Ų12576.2 Ų76.254%0.54341%0.406SS..Hα-helixtrans-66.6-40.8177.4-172.6179176.2-168.50111.6D105 E107 E112 E113D105-K109 VanDerWaalsContact O-CB 3.3Å; D105-K109 WeakPolarHBondContact O-CB 3.4Å; D105-K109 PolarHBondContact O-N 2.86Å; E107-K109 VanDerWaalsContact C-N 3.29Å; E107-K109 PolarHBondContact O-N 3.41Å; K109-E112 PolarHBondContact O-N 3.44Å; K109-E113 VanDerWaalsContact CE-OE1 3.25Å; K109-E113 WeakPolarHBondContact CE-OE1 3.33Å; K109-E113 WeakPolarHBondContact O-CG 3.3Å; K109-E113 PolarHBondContact O-N 2.92Å
110A89.6Confident78.5Confident25 Ų2578.3 Ų78.321%0.20742%0.416CS..Hα-helixtrans-66.1-40.8176.900000111.9S106 E107 E113 Y114 H277S106-A110 WeakPolarHBondContact O-CB 3.44Å; S106-A110 PolarHBondContact O-N 3.06Å; E107-A110 PolarHBondContact O-N 3.22Å; A110-E113 PolarHBondContact O-N 3.15Å; A110-Y114 PolarHBondContact O-N 3.44Å; A110-H277 VanDerWaalsContact CB-NE2 3.32Å; A110-H277 WeakPolarHBondContact CB-NE2 3.32Å
111A92Very high80.3Confident6 Ų675.9 Ų75.95%0.0540%0.397CS..Hα-helixtrans-59-45.9171.200000112E107 Y108 E113 Y114 W115 Q234 H277E107-A111 WeakPolarHBondContact O-CB 3.44Å; E107-A111 PolarHBondContact O-N 3.46Å; Y108-A111 PolarHBondContact O-N 3.46Å; A111-E113 PolarHBondContact O-N 3.14Å; A111-Y114 WeakPolarHBondContact O-CB 3.48Å; A111-Y114 PolarHBondContact O-N 2.7Å; A111-W115 PolarHBondContact O-N 3.05Å; A111-Q234 VanDerWaalsContact CB-OE1 3.27Å; A111-H277 HydrophobicContact CB-CB 4.04Å
112E92.2Very high81.7Confident90 Ų9073.7 Ų73.742%0.42139%0.389SS..Hα-helixtrans-61.7-42.7177.3-173.1-17916100111.6Y108 K109 W115 K116 V185Y108-E112 WeakPolarHBondContact O-CB 3.45Å; Y108-E112 PolarHBondContact O-N 3.02Å; K109-E112 PolarHBondContact O-N 3.44Å; E112-W115 PolarHBondContact O-N 2.91Å; E112-K116 WeakPolarHBondContact O-CB 3.42Å; E112-K116 PolarHBondContact O-N 2.83Å; E112-V185 HydrophobicContact CG-CG2 3.99Å
113E92.6Very high83.1Confident119 Ų11969.1 Ų69.156%0.55636%0.362SS*.Hα-helixtrans-63.2-41.3175.8-75.3177.1-17300112.1K109 A110 A111 A117K109-E113 VanDerWaalsContact CE-OE1 3.25Å; K109-E113 WeakPolarHBondContact CE-OE1 3.33Å; K109-E113 WeakPolarHBondContact O-CG 3.3Å; K109-E113 PolarHBondContact O-N 2.92Å; A110-E113 PolarHBondContact O-N 3.15Å; A111-E113 PolarHBondContact O-N 3.14Å; E113-A117 PolarHBondContact O-N 2.99Å
114Y93.1Very high84.3Confident52 Ų5262.7 Ų62.720%0.20433%0.33CS..Hα-helixtrans-58.6-56.9173.4171.3-95000111.1A110 A111 K116 A117 I118 L275 D276A110-Y114 PolarHBondContact O-N 3.44Å; A111-Y114 WeakPolarHBondContact O-CB 3.48Å; A111-Y114 PolarHBondContact O-N 2.7Å; Y114-K116 VanDerWaalsContact C-N 3.27Å; Y114-K116 PolarHBondContact O-N 3.48Å; Y114-A117 WeakPolarHBondContact O-CB 3.38Å; Y114-A117 PolarHBondContact O-N 3.43Å; Y114-I118 HydrophobicContact CD1-CG1 4.37Å; Y114-I118 HydrophobicContact CE1-CD1 4.17Å; Y114-I118 HydrophobicContact CE1-CG1 3.95Å; Y114-I118 HydrophobicContact CE2-CD1 4.19Å; Y114-I118 PolarHBondContact O-N 2.66Å; Y114-L275 HydrophobicContact CD2-CG 4.38Å; Y114-L275 WeakPolarHBondContact CD2-O 3.41Å; Y114-L275 HydrophobicContact CE2-CD1 4.14Å; Y114-L275 HydrophobicContact CE2-CD2 4.31Å; Y114-L275 HydrophobicContact CE2-CG 3.75Å; Y114-D276 HydrophobicContact CD1-CB 3.59Å; Y114-D276 HydrophobicContact CD2-CB 4.47Å; Y114-D276 HydrophobicContact CE1-CB 3.39Å; Y114-D276 HydrophobicContact CE2-CB 4.3Å; Y114-D276 HydrophobicContact CG-CB 4.14Å
115W94.6Very high85.7Confident47 Ų4763.4 Ų63.418%0.17833%0.332CS..Hα-helixtrans-64.6-32.4-176.5-74.6109.9000112.4A111 E112 A117 I118 M125 F189A111-W115 PolarHBondContact O-N 3.05Å; E112-W115 PolarHBondContact O-N 2.91Å; W115-A117 PolarHBondContact O-N 3.15Å; W115-I118 HydrophobicContact CE3-CB 4.32Å; W115-I118 HydrophobicContact CE3-CG1 4Å; W115-I118 HydrophobicContact CE3-CG2 4.48Å; W115-I118 HydrophobicContact CZ3-CG1 4.37Å; W115-I118 WeakPolarHBondContact O-CB 3.11Å; W115-I118 PolarHBondContact O-N 3.12Å; W115-I118 VanDerWaalsContact O-N 3.13Å; W115-M125 HydrophobicContact CE3-CE 4.45Å; W115-M125 HydrophobicContact CZ3-CE 4.41Å; W115-F189 HydrophobicContact CB-CE2 4.22Å; W115-F189 HydrophobicContact CB-CZ 4.43Å; W115-F189 HydrophobicContact CE3-CE2 4.12Å; W115-F189 HydrophobicContact CE3-CZ 4.24Å; W115-F189 WeakPolarHBondContact O-CZ 3.48Å
116K93.2Very high86.1Confident117 Ų11759.2 Ų59.251%0.50931%0.309SS..Hα-helixtrans-64.1-27.2174-169.8173.7-173.6173.70113.5E112 Y114 E188E112-K116 WeakPolarHBondContact O-CB 3.42Å; E112-K116 PolarHBondContact O-N 2.83Å; Y114-K116 VanDerWaalsContact C-N 3.27Å; Y114-K116 PolarHBondContact O-N 3.48Å; K116-E188 VanDerWaalsContact CE-OE1 3.23Å; K116-E188 WeakPolarHBondContact CE-OE1 3.31Å
117A92.1Very high86.2Confident87 Ų8758.1 Ų58.172%0.71931%0.31SS*.Hα-helixtrans-81.8-15176.200000113.3E113 Y114 W115E113-A117 PolarHBondContact O-N 2.99Å; Y114-A117 WeakPolarHBondContact O-CB 3.38Å; Y114-A117 PolarHBondContact O-N 3.43Å; W115-A117 PolarHBondContact O-N 3.15Å
118I90.2Very high85.6Confident34 Ų3455.4 Ų55.417%0.17431%0.307CS..SBendtrans-75.7138.4179.7-62.6-57.3000110.5Y114 W115 G124 M125 F189Y114-I118 HydrophobicContact CD1-CG1 4.37Å; Y114-I118 HydrophobicContact CE1-CD1 4.17Å; Y114-I118 HydrophobicContact CE1-CG1 3.95Å; Y114-I118 HydrophobicContact CE2-CD1 4.19Å; Y114-I118 PolarHBondContact O-N 2.66Å; W115-I118 HydrophobicContact CE3-CB 4.32Å; W115-I118 HydrophobicContact CE3-CG1 4Å; W115-I118 HydrophobicContact CE3-CG2 4.48Å; W115-I118 HydrophobicContact CZ3-CG1 4.37Å; W115-I118 WeakPolarHBondContact O-CB 3.11Å; W115-I118 PolarHBondContact O-N 3.12Å; W115-I118 VanDerWaalsContact O-N 3.13Å; I118-G124 WeakPolarHBondContact CG2-O 3.45Å; I118-M125 HydrophobicContact CG2-CE 3.89Å; I118-F189 HydrophobicContact CB-CZ 4.12Å; I118-F189 HydrophobicContact CG2-CZ 4.31Å; I118-F189 WeakPolarHBondContact O-CE1 3.34Å
119Q83.9Confident84.7Confident104 Ų10457.3 Ų57.349%0.48632%0.319SS..  trans-65.8138.3177.8-66.6-165.31100111.3N121Q119-N121 PolarHBondContact O-N 3.43Å; Q119-N121 PolarHBondContact OE1-ND2 2.94Å
120P90.5Very high83.9Confident61 Ų6154.2 Ų54.240%0.39631%0.308SS..SBendtrans-77.958.1-179.934.8-38.6000111.5I165 F189 A192P120-I165 HydrophobicContact CB-CG2 4.04Å; P120-F189 HydrophobicContact CB-CD1 3.87Å; P120-F189 HydrophobicContact CB-CE1 4.36Å; P120-A192 HydrophobicContact CB-CB 3.59Å; P120-A192 HydrophobicContact CG-CB 4.14Å
121N79.8Confident82.8Confident44 Ų4460.5 Ų60.524%0.23533%0.33CS..SBendtrans-136.1173.8179.874.122.7000110.6Q119 K123 G124 M125 I165 E392Q119-N121 PolarHBondContact O-N 3.43Å; Q119-N121 PolarHBondContact OE1-ND2 2.94Å; N121-K123 PolarHBondContact O-N 3.48Å; N121-K123 PolarHBondContact OD1-N 3.28Å; N121-G124 PolarHBondContact O-N 3.12Å; N121-G124 PolarHBondContact OD1-N 3.49Å; N121-M125 VanDerWaalsContact O-CG 3.27Å; N121-M125 WeakPolarHBondContact O-CG 3.27Å; N121-M125 PolarHBondContact O-N 3.32Å; N121-M125 VanDerWaalsContact O-N 3.16Å; N121-I165 VanDerWaalsContact C-CD1 3.4Å; N121-E392 PolarHBondContact ND2-OE2 3.21Å
122V75.6Confident81.7Confident38 Ų3860.8 Ų60.823%0.2333%0.331CS..Hα-helixtrans-61.9-34-175.8176.20000112L126 D130 I165 Y196V122-L126 HydrophobicContact CG1-CD1 3.91Å; V122-L126 WeakPolarHBondContact O-CB 3.46Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 2.87Å; V122-D130 HydrophobicContact CG1-CB 4.07Å; V122-I165 HydrophobicContact CG2-CD1 4.2Å; V122-Y196 HydrophobicContact CG2-CD2 4.3Å; V122-Y196 HydrophobicContact CG2-CE2 3.42Å; V122-Y196 VanDerWaalsContact CG2-CE2 3.42Å
123K71.8Confident80.9Confident53 Ų5357.2 Ų57.223%0.2332%0.316CS..Hα-helixtrans-72.6-44.6-178.8-175.8162.8161.4-129.70112.3N121 M125 L126 G127 G128 D130 E392N121-K123 PolarHBondContact O-N 3.48Å; N121-K123 PolarHBondContact OD1-N 3.28Å; K123-M125 VanDerWaalsContact C-N 3.31Å; K123-M125 PolarHBondContact O-N 3.35Å; K123-L126 CarbonylContact O-C 3.58Å; K123-L126 PolarHBondContact O-N 3.11Å; K123-L126 VanDerWaalsContact O-N 3.11Å; K123-G127 PolarHBondContact O-N 3.16Å; K123-G128 PolarHBondContact O-N 2.92Å; K123-D130 HydrophobicContact CB-CB 4.03Å; K123-D130 HydrophobicContact CG-CB 4.43Å; K123-E392 HydrophobicContact CD-CB 3.85Å; K123-E392 HydrophobicContact CD-CG 3.86Å; K123-E392 WeakPolarHBondContact CD-OE1 3.45Å; K123-E392 VanDerWaalsContact CE-OE1 3.22Å; K123-E392 WeakPolarHBondContact CE-OE1 3.24Å; K123-E392 WeakPolarHBondContact CG-OE1 3.35Å; K123-E392 VanDerWaalsContact NZ-CD 3.31Å; K123-E392 IonicContact NZ-OE1 2.74Å; K123-E392 PolarHBondContact NZ-OE1 2.8Å
124G77Confident79.9Confident10 Ų1053.6 Ų53.610%0.10331%0.311CS..Hα-helixtrans-56.4-46.117300000111.7I118 N121 L126 G127I118-G124 WeakPolarHBondContact CG2-O 3.45Å; N121-G124 PolarHBondContact O-N 3.12Å; N121-G124 PolarHBondContact OD1-N 3.49Å; G124-L126 PolarHBondContact O-N 3.01Å; G124-G127 PolarHBondContact O-N 3.41Å; G124-G127 VanDerWaalsContact O-N 3.17Å
125M85Confident79Confident24 Ų2452.9 Ų52.912%0.11831%0.311CS..Hα-helixtrans-67.1-17.7179.5-64.1-62.791.400114.3W115 I118 N121 K123 I165 F189W115-M125 HydrophobicContact CE3-CE 4.45Å; W115-M125 HydrophobicContact CZ3-CE 4.41Å; I118-M125 HydrophobicContact CG2-CE 3.89Å; N121-M125 VanDerWaalsContact O-CG 3.27Å; N121-M125 WeakPolarHBondContact O-CG 3.27Å; N121-M125 PolarHBondContact O-N 3.32Å; N121-M125 VanDerWaalsContact O-N 3.16Å; K123-M125 VanDerWaalsContact C-N 3.31Å; K123-M125 PolarHBondContact O-N 3.35Å; M125-I165 HydrophobicContact CG-CD1 4.08Å; M125-I165 HydrophobicContact CG-CG1 3.97Å; M125-I165 HydrophobicContact CG-CG2 4.24Å; M125-I165 HydrophobicContact SD-CG2 4.37Å; M125-F189 HydrophobicContact CE-CD1 3.88Å; M125-F189 HydrophobicContact CE-CD2 3.82Å; M125-F189 HydrophobicContact CE-CE1 3.4Å; M125-F189 HydrophobicContact CE-CE2 3.33Å; M125-F189 HydrophobicContact CE-CG 4.09Å; M125-F189 HydrophobicContact CE-CZ 3.09Å; M125-F189 HydrophobicContact SD-CD2 4.03Å; M125-F189 HydrophobicContact SD-CE2 4.06Å; M125-F189 HydrophobicContact SD-CG 4.32Å; M125-F189 HydrophobicContact SD-CZ 4.34Å
126L79.6Confident78.1Confident9 Ų950.7 Ų50.75%0.04730%0.302CS..THydrogen-bonded Turntrans-111.111.4-179.9-70.2-178.6000111.9V122 K123 G124 G128 L129 R167 W230V122-L126 HydrophobicContact CG1-CD1 3.91Å; V122-L126 WeakPolarHBondContact O-CB 3.46Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 2.87Å; K123-L126 CarbonylContact O-C 3.58Å; K123-L126 PolarHBondContact O-N 3.11Å; K123-L126 VanDerWaalsContact O-N 3.11Å; G124-L126 PolarHBondContact O-N 3.01Å; L126-G128 PolarHBondContact O-N 3.27Å; L126-L129 WeakPolarHBondContact O-CB 3.25Å; L126-L129 PolarHBondContact O-N 3.4Å; L126-R167 VanDerWaalsContact CD2-NH2 3.29Å; L126-W230 HydrophobicContact CD2-CE3 4.14Å; L126-W230 HydrophobicContact CD2-CH2 3.53Å; L126-W230 HydrophobicContact CD2-CZ3 3.1Å; L126-W230 HydrophobicContact CG-CZ3 4.48Å
127G76.9Confident77.7Confident56 Ų5646.2 Ų46.258%0.57728%0.284SS*.THydrogen-bonded Turntrans5734.7179.500000113.8K123 G124K123-G127 PolarHBondContact O-N 3.16Å; G124-G127 PolarHBondContact O-N 3.41Å; G124-G127 VanDerWaalsContact O-N 3.17Å
128G70.9Confident77.1Confident33 Ų3344 Ų4434%0.3426%0.261SS..THydrogen-bonded Turntrans95.4-12-175.100000115.3K123 L126 D130K123-G128 PolarHBondContact O-N 2.92Å; L126-G128 PolarHBondContact O-N 3.27Å; G128-D130 PolarHBondContact O-N 3.04Å
129L70.9Confident76.7Confident70 Ų7043.2 Ų43.237%0.36626%0.261SS..  trans-96.940.9-173.1-57.8169.5000112.9L126 K131 L132 L310L126-L129 WeakPolarHBondContact O-CB 3.25Å; L126-L129 PolarHBondContact O-N 3.4Å; L129-K131 PolarHBondContact O-N 2.95Å; L129-K131 VanDerWaalsContact O-N 3.08Å; L129-L132 HydrophobicContact CB-CD1 3.78Å; L129-L132 HydrophobicContact CB-CG 4.11Å; L129-L132 HydrophobicContact CD1-CD1 4.03Å; L129-L132 HydrophobicContact CG-CD1 4.41Å; L129-L132 WeakPolarHBondContact O-CB 3.44Å; L129-L132 PolarHBondContact O-N 3.32Å; L129-L310 HydrophobicContact CD1-CD2 3.94Å; L129-L310 HydrophobicContact CD2-CD2 4.28Å
130D70.1Confident77Confident60 Ų6038.3 Ų38.332%0.32124%0.238SC..G310 helixtrans-57-29.3-173.661.9-62.7000114.1V122 K123 G128 L132 S133V122-D130 HydrophobicContact CG1-CB 4.07Å; K123-D130 HydrophobicContact CB-CB 4.03Å; K123-D130 HydrophobicContact CG-CB 4.43Å; G128-D130 PolarHBondContact O-N 3.04Å; D130-L132 PolarHBondContact O-N 2.91Å; D130-L132 VanDerWaalsContact O-N 3.12Å; D130-S133 WeakPolarHBondContact O-CB 3.29Å; D130-S133 PolarHBondContact O-N 2.7Å
131K66.7Low77Confident156 Ų15637.1 Ų37.168%0.67823%0.226SC*.G310 helixtrans-55.7-27173.1-60.3-178.9-176.3176.80113.4L129 S133L129-K131 PolarHBondContact O-N 2.95Å; L129-K131 VanDerWaalsContact O-N 3.08Å; K131-S133 VanDerWaalsContact C-N 3.27Å; K131-S133 PolarHBondContact O-N 2.84Å
132L70.1Confident77.5Confident12 Ų1240.9 Ų40.96%0.06324%0.242CC..G310 helixtrans-76.4-13.8178-59.1-178.5000112.9L129 D130 G134 I135 D136 F306 P307 L310L129-L132 HydrophobicContact CB-CD1 3.78Å; L129-L132 HydrophobicContact CB-CG 4.11Å; L129-L132 HydrophobicContact CD1-CD1 4.03Å; L129-L132 HydrophobicContact CG-CD1 4.41Å; L129-L132 WeakPolarHBondContact O-CB 3.44Å; L129-L132 PolarHBondContact O-N 3.32Å; D130-L132 PolarHBondContact O-N 2.91Å; D130-L132 VanDerWaalsContact O-N 3.12Å; L132-G134 VanDerWaalsContact C-N 3.3Å; L132-G134 PolarHBondContact O-N 2.91Å; L132-I135 HydrophobicContact CD2-CD1 4.42Å; L132-I135 PolarHBondContact O-N 3.03Å; L132-D136 VanDerWaalsContact O-CB 3.31Å; L132-D136 WeakPolarHBondContact O-CB 3.34Å; L132-D136 PolarHBondContact O-N 3.26Å; L132-F306 HydrophobicContact CB-CE1 4.47Å; L132-F306 HydrophobicContact CB-CZ 4.43Å; L132-F306 HydrophobicContact CD1-CD2 4.43Å; L132-F306 HydrophobicContact CD1-CE2 4.2Å; L132-F306 HydrophobicContact CD1-CZ 4.35Å; L132-P307 HydrophobicContact CD2-CG 4.16Å; L132-L310 HydrophobicContact CD1-CD2 3.82Å
133S74.8Confident78.3Confident15 Ų1540.8 Ų40.811%0.10524%0.238CC..Hα-helixtrans-55.5-42.8-174-167.20000112.7D130 K131 I137 R167D130-S133 WeakPolarHBondContact O-CB 3.29Å; D130-S133 PolarHBondContact O-N 2.7Å; K131-S133 VanDerWaalsContact C-N 3.27Å; K131-S133 PolarHBondContact O-N 2.84Å; S133-I137 VanDerWaalsContact O-CB 3.31Å; S133-I137 WeakPolarHBondContact O-CB 3.45Å; S133-I137 WeakPolarHBondContact O-CD1 3.41Å; S133-I137 WeakPolarHBondContact O-CG1 2.95Å; S133-I137 PolarHBondContact O-N 2.7Å; S133-R167 PolarHBondContact OG-NH1 2.92Å; S133-R167 VanDerWaalsContact OG-NH1 3.09Å
134G72.2Confident79.4Confident44 Ų4438.3 Ų38.345%0.45423%0.228SC..Hα-helixtrans-65.2-41178.900000112.7L132 T138L132-G134 VanDerWaalsContact C-N 3.3Å; L132-G134 PolarHBondContact O-N 2.91Å; G134-T138 VanDerWaalsContact O-CB 3.32Å; G134-T138 WeakPolarHBondContact O-CB 3.39Å; G134-T138 PolarHBondContact O-N 3.29Å; G134-T138 PolarHBondContact O-OG1 2.98Å
135I72.5Confident80.1Confident37 Ų3740.5 Ų40.519%0.1924%0.237CC..Hα-helixtrans-69.1-43.5179.7-56.4175.6000110.5L132 G139 Q303 K304 K305 F306L132-I135 HydrophobicContact CD2-CD1 4.42Å; L132-I135 PolarHBondContact O-N 3.03Å; I135-G139 PolarHBondContact O-N 3.41Å; I135-Q303 PolarHBondContact O-NE2 2.9Å; I135-Q303 VanDerWaalsContact O-NE2 3.1Å; I135-K304 WeakPolarHBondContact CG2-O 3.26Å; I135-K305 HydrophobicContact CG2-CB 3.94Å; I135-F306 HydrophobicContact CB-CD1 4.5Å; I135-F306 HydrophobicContact CB-CE1 4.24Å; I135-F306 HydrophobicContact CG2-CD1 3.79Å; I135-F306 HydrophobicContact CG2-CE1 3.85Å
136D76.9Confident80.5Confident1 Ų142.8 Ų42.81%0.00525%0.246CC..Hα-helixtrans-57-53.6174.6174.945.2000111.1L132 G139 S140 R167 Q229 K261 F306L132-D136 VanDerWaalsContact O-CB 3.31Å; L132-D136 WeakPolarHBondContact O-CB 3.34Å; L132-D136 PolarHBondContact O-N 3.26Å; D136-G139 PolarHBondContact O-N 2.84Å; D136-S140 WeakPolarHBondContact O-CB 3.49Å; D136-S140 PolarHBondContact O-N 3.01Å; D136-S140 PolarHBondContact O-OG 3.2Å; D136-S140 VanDerWaalsContact O-OG 3.09Å; D136-R167 IonicContact OD2-CZ 2.7Å; D136-R167 IonicContact OD2-NH1 3.67Å; D136-R167 PolarHBondContact OD2-NH1 3.49Å; D136-R167 IonicContact OD2-NH2 3.75Å; D136-R167 PolarHBondContact OD2-NH2 2.64Å; D136-Q229 PolarHBondContact OD1-NE2 2.86Å; D136-Q229 PolarHBondContact OD2-NE2 3.21Å; D136-K261 PolarHBondContact O-NZ 2.98Å; D136-K261 VanDerWaalsContact O-NZ 3.14Å; D136-K261 IonicContact OD1-NZ 2.67Å; D136-K261 PolarHBondContact OD1-NZ 3.37Å; D136-F306 HydrophobicContact CB-CZ 4.46Å
137I83.9Confident81.1Confident23 Ų2342.5 Ų42.512%0.11825%0.245CC..Hα-helixtrans-61.5-46.9179.6-72.7165.1000111.3S133 G139 S140 R141 A171 V172S133-I137 VanDerWaalsContact O-CB 3.31Å; S133-I137 WeakPolarHBondContact O-CB 3.45Å; S133-I137 WeakPolarHBondContact O-CD1 3.41Å; S133-I137 WeakPolarHBondContact O-CG1 2.95Å; S133-I137 PolarHBondContact O-N 2.7Å; I137-G139 PolarHBondContact O-N 2.92Å; I137-S140 PolarHBondContact O-N 3.48Å; I137-R141 HydrophobicContact CG2-CG 4.45Å; I137-R141 WeakPolarHBondContact O-CG 3.39Å; I137-R141 PolarHBondContact O-N 2.93Å; I137-A171 HydrophobicContact CB-CB 4.37Å; I137-A171 HydrophobicContact CD1-CB 3.56Å; I137-A171 HydrophobicContact CG1-CB 3.81Å; I137-A171 HydrophobicContact CG2-CB 3.61Å; I137-V172 HydrophobicContact CG2-CG2 4.41Å
138T81.2Confident81.8Confident41 Ų4140.2 Ų40.225%0.25222%0.22SC..Hα-helixtrans-61.8-45.9-178.4-57.40000110.9G134 R141 Q142G134-T138 VanDerWaalsContact O-CB 3.32Å; G134-T138 WeakPolarHBondContact O-CB 3.39Å; G134-T138 PolarHBondContact O-N 3.29Å; G134-T138 PolarHBondContact O-OG1 2.98Å; T138-R141 PolarHBondContact O-N 2.85Å; T138-Q142 WeakPolarHBondContact O-CG 2.83Å; T138-Q142 PolarHBondContact O-N 3.16Å; T138-Q142 VanDerWaalsContact O-N 3.09Å
139G81.1Confident82.8Confident16 Ų1642.2 Ų42.217%0.16523%0.234CC..Hα-helixtrans-62.7-42.7175.900000112.5I135 D136 I137 Q142 F143I135-G139 PolarHBondContact O-N 3.41Å; D136-G139 PolarHBondContact O-N 2.84Å; I137-G139 PolarHBondContact O-N 2.92Å; G139-Q142 PolarHBondContact O-N 3.06Å; G139-F143 WeakPolarHBondContact O-CB 3.23Å; G139-F143 PolarHBondContact O-N 2.92Å
140S89.8Confident83.9Confident1 Ų145.4 Ų45.41%0.00724%0.244CC..Hα-helixtrans-62.1-42.2176.3-69.30000112.6D136 I137 F143 L144 K261D136-S140 WeakPolarHBondContact O-CB 3.49Å; D136-S140 PolarHBondContact O-N 3.01Å; D136-S140 PolarHBondContact O-OG 3.2Å; D136-S140 VanDerWaalsContact O-OG 3.09Å; I137-S140 PolarHBondContact O-N 3.48Å; S140-F143 PolarHBondContact O-N 3.13Å; S140-L144 VanDerWaalsContact O-CB 3.26Å; S140-L144 WeakPolarHBondContact O-CB 3.22Å; S140-L144 PolarHBondContact O-N 3.28Å; S140-K261 PolarHBondContact OG-NZ 2.93Å
141R91.1Very high84.9Confident36 Ų3645.7 Ų45.714%0.13625%0.245CC..Hα-helixtrans-60.8-52.3176.2-77179.4173.2174.42.3111.5I137 T138 F143 L144 D145 A171 S582I137-R141 HydrophobicContact CG2-CG 4.45Å; I137-R141 WeakPolarHBondContact O-CG 3.39Å; I137-R141 PolarHBondContact O-N 2.93Å; T138-R141 PolarHBondContact O-N 2.85Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 3.16Å; R141-L144 PolarHBondContact O-N 2.73Å; R141-L144 VanDerWaalsContact O-N 3.13Å; R141-D145 VanDerWaalsContact O-CG 3.22Å; R141-D145 PolarHBondContact O-N 3.03Å; R141-A171 PolarHBondContact NE-O 3.39Å; R141-A171 PolarHBondContact NH2-O 2.77Å; R141-S582 PolarHBondContact NH1-O 2.6Å
142Q90.4Very high86.2Confident123 Ų12345.2 Ų45.258%0.57525%0.251SS*.Hα-helixtrans-59.8-41.2-179.7-70.8175.3-800112T138 G139 K146T138-Q142 WeakPolarHBondContact O-CG 2.83Å; T138-Q142 PolarHBondContact O-N 3.16Å; T138-Q142 VanDerWaalsContact O-N 3.09Å; G139-Q142 PolarHBondContact O-N 3.06Å; Q142-K146 PolarHBondContact O-N 2.92Å
143F91.5Very high87.3Confident36 Ų3645.4 Ų45.416%0.15825%0.252CS..Hα-helixtrans-65.3-44.8175.6-174.2-98.7000111.5G139 S140 R141 K146 V147 W227 V259 F299 E301G139-F143 WeakPolarHBondContact O-CB 3.23Å; G139-F143 PolarHBondContact O-N 2.92Å; S140-F143 PolarHBondContact O-N 3.13Å; R141-F143 VanDerWaalsContact C-N 3.29Å; R141-F143 PolarHBondContact O-N 3.16Å; F143-K146 WeakPolarHBondContact O-CB 3.42Å; F143-K146 PolarHBondContact O-N 2.94Å; F143-V147 HydrophobicContact CD1-CG2 3.9Å; F143-V147 HydrophobicContact CE1-CG2 3.5Å; F143-V147 HydrophobicContact CE2-CG2 4.41Å; F143-V147 HydrophobicContact CZ-CG2 3.79Å; F143-V147 WeakPolarHBondContact O-CG2 3.3Å; F143-V147 PolarHBondContact O-N 3.02Å; F143-W227 HydrophobicContact CD1-CH2 4.5Å; F143-V259 HydrophobicContact CD1-CG1 4.23Å; F143-V259 HydrophobicContact CE1-CG1 3.81Å; F143-V259 HydrophobicContact CE1-CG2 4.27Å; F143-F299 HydrophobicContact CE2-CB 4.09Å; F143-F299 HydrophobicContact CZ-CB 4Å; F143-E301 HydrophobicContact CD2-CB 3.73Å; F143-E301 HydrophobicContact CE2-CB 3.86Å
144L94.5Very high88.2Confident2 Ų251.2 Ų51.21%0.0127%0.271CS..Hα-helixtrans-62.8-43.7179-178.761000112.1S140 R141 K146 V147 V148 V172 L173 M176 F177 L225 W227S140-L144 VanDerWaalsContact O-CB 3.26Å; S140-L144 WeakPolarHBondContact O-CB 3.22Å; S140-L144 PolarHBondContact O-N 3.28Å; R141-L144 PolarHBondContact O-N 2.73Å; R141-L144 VanDerWaalsContact O-N 3.13Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.27Å; L144-V147 PolarHBondContact O-N 3.2Å; L144-V148 HydrophobicContact CD1-CG2 3.77Å; L144-V148 HydrophobicContact CG-CG2 4.23Å; L144-V148 WeakPolarHBondContact O-CB 3.31Å; L144-V148 WeakPolarHBondContact O-CG2 3.49Å; L144-V148 PolarHBondContact O-N 2.8Å; L144-V172 HydrophobicContact CB-CG1 4.5Å; L144-V172 HydrophobicContact CD2-CG1 3.76Å; L144-L173 HydrophobicContact CD2-CD2 4.21Å; L144-M176 HydrophobicContact CD2-CE 4.41Å; L144-M176 HydrophobicContact CD2-SD 4.23Å; L144-M176 HydrophobicContact CG-CE 4.02Å; L144-M176 HydrophobicContact CG-SD 4.01Å; L144-F177 HydrophobicContact CD1-CE2 4.23Å; L144-F177 HydrophobicContact CD2-CE2 4.15Å; L144-L225 HydrophobicContact CD1-CD1 4.1Å; L144-L225 HydrophobicContact CD1-CD2 3.51Å; L144-L225 HydrophobicContact CD1-CG 4.47Å; L144-W227 HydrophobicContact CB-CZ3 4.2Å; L144-W227 HydrophobicContact CD1-CZ3 4.19Å
145D92.7Very high89.3Confident55 Ų5554.6 Ų54.629%0.29427%0.273SS..Hα-helixtrans-53.1-48.4174.8-67.1-31.8000111.1R141 A149 R175 M176R141-D145 VanDerWaalsContact O-CG 3.22Å; R141-D145 PolarHBondContact O-N 3.03Å; D145-A149 WeakPolarHBondContact O-CB 3.32Å; D145-A149 PolarHBondContact O-N 2.78Å; D145-R175 IonicContact OD1-CZ 3.45Å; D145-R175 IonicContact OD1-NH2 2.68Å; D145-R175 PolarHBondContact OD1-NH2 3.33Å; D145-R175 IonicContact OD2-CZ 3.86Å; D145-R175 IonicContact OD2-NH2 3.67Å; D145-R175 PolarHBondContact OD2-NH2 3.22Å; D145-M176 HydrophobicContact CB-CE 4.2Å; D145-M176 WeakPolarHBondContact OD1-CE 3.45Å
146K91.9Very high90.5Very high72 Ų7260.7 Ų60.731%0.31329%0.294SS..Hα-helixtrans-63.7-44.1178.1176.5-179.9169.1-173.60112.3Q142 F143 L144 K150 E301Q142-K146 PolarHBondContact O-N 2.92Å; F143-K146 WeakPolarHBondContact O-CB 3.42Å; F143-K146 PolarHBondContact O-N 2.94Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.27Å; K146-K150 HydrophobicContact CG-CD 4.2Å; K146-K150 VanDerWaalsContact O-CB 3.26Å; K146-K150 WeakPolarHBondContact O-CB 3.21Å; K146-K150 VanDerWaalsContact O-CG 3.29Å; K146-K150 WeakPolarHBondContact O-CG 3.23Å; K146-K150 PolarHBondContact O-N 2.82Å; K146-E301 IonicContact NZ-OE2 3.41Å; K146-E301 PolarHBondContact NZ-OE2 3.48Å
147V92.3Very high91.5Very high4 Ų461.3 Ų61.32%0.02430%0.296CS..Hα-helixtrans-65.2-50.2179.6170.90000110.9F143 L144 A149 K150 L151 L153 A257 F299F143-V147 HydrophobicContact CD1-CG2 3.9Å; F143-V147 HydrophobicContact CE1-CG2 3.5Å; F143-V147 HydrophobicContact CE2-CG2 4.41Å; F143-V147 HydrophobicContact CZ-CG2 3.79Å; F143-V147 WeakPolarHBondContact O-CG2 3.3Å; F143-V147 PolarHBondContact O-N 3.02Å; L144-V147 PolarHBondContact O-N 3.2Å; V147-A149 VanDerWaalsContact C-N 3.35Å; V147-A149 PolarHBondContact O-N 2.69Å; V147-K150 PolarHBondContact O-N 2.62Å; V147-L151 HydrophobicContact CG1-CD1 3.89Å; V147-L151 WeakPolarHBondContact O-CB 3.35Å; V147-L151 PolarHBondContact O-N 2.79Å; V147-L153 HydrophobicContact CG1-CD1 4.15Å; V147-A257 HydrophobicContact CG1-CB 4.38Å; V147-F299 HydrophobicContact CG2-CB 4.41Å; V147-F299 HydrophobicContact CG2-CD2 3.99Å; V147-F299 HydrophobicContact CG2-CG 4.41Å
148V92.9Very high92.2Very high7 Ų760.2 Ų60.24%0.04229%0.29CS..Hα-helixtrans-62.2-43.1-179.2171.80000111.1L144 N152 L153 K155 M176 F177L144-V148 HydrophobicContact CD1-CG2 3.77Å; L144-V148 HydrophobicContact CG-CG2 4.23Å; L144-V148 WeakPolarHBondContact O-CB 3.31Å; L144-V148 WeakPolarHBondContact O-CG2 3.49Å; L144-V148 PolarHBondContact O-N 2.8Å; V148-N152 VanDerWaalsContact O-CA 3.29Å; V148-N152 WeakPolarHBondContact O-CA 3.34Å; V148-N152 PolarHBondContact O-N 3.2Å; V148-L153 HydrophobicContact CG1-CB 4.27Å; V148-L153 HydrophobicContact CG2-CB 4.36Å; V148-L153 HydrophobicContact CG2-CD1 4.23Å; V148-L153 PolarHBondContact O-N 2.77Å; V148-K155 HydrophobicContact CG1-CG 4.24Å; V148-M176 HydrophobicContact CB-CE 4.44Å; V148-M176 HydrophobicContact CB-SD 3.84Å; V148-M176 HydrophobicContact CG1-SD 3.96Å; V148-M176 HydrophobicContact CG2-CE 4.44Å; V148-M176 HydrophobicContact CG2-SD 3.51Å; V148-M176 VanDerWaalsContact CG2-SD 3.51Å; V148-F177 HydrophobicContact CG2-CZ 4.23Å
149A91.8Very high93Very high76 Ų7658.2 Ų58.263%0.62828%0.279SS*.Hα-helixtrans-64.9-47.9177.100000112.2D145 V147 N152D145-A149 WeakPolarHBondContact O-CB 3.32Å; D145-A149 PolarHBondContact O-N 2.78Å; V147-A149 VanDerWaalsContact C-N 3.35Å; V147-A149 PolarHBondContact O-N 2.69Å; A149-N152 PolarHBondContact O-N 2.78Å
150K93Very high93.9Very high137 Ų13757.6 Ų57.660%0.59627%0.271SS*.Hα-helixtrans-73-30.3-175.1-73.8-169.3170.3-167.60114.2K146 V147 F299K146-K150 HydrophobicContact CG-CD 4.2Å; K146-K150 VanDerWaalsContact O-CB 3.26Å; K146-K150 WeakPolarHBondContact O-CB 3.21Å; K146-K150 VanDerWaalsContact O-CG 3.29Å; K146-K150 WeakPolarHBondContact O-CG 3.23Å; K146-K150 PolarHBondContact O-N 2.82Å; V147-K150 PolarHBondContact O-N 2.62Å; K150-F299 HydrophobicContact CB-CE1 4.08Å; K150-F299 HydrophobicContact CB-CE2 4.12Å; K150-F299 HydrophobicContact CB-CZ 3.47Å; K150-F299 VanDerWaalsContact CB-CZ 3.47Å; K150-F299 HydrophobicContact CD-CD1 4.1Å; K150-F299 HydrophobicContact CD-CE1 3.24Å; K150-F299 HydrophobicContact CD-CZ 3.59Å; K150-F299 HydrophobicContact CG-CE1 4.3Å; K150-F299 HydrophobicContact CG-CZ 4.18Å
151L92.1Very high94.3Very high65 Ų6557.5 Ų57.534%0.3427%0.271SS..Hα-helixtrans-94.4-2.6176.4-61.7-178.9000112.8V147 L153 A257 F299V147-L151 HydrophobicContact CG1-CD1 3.89Å; V147-L151 WeakPolarHBondContact O-CB 3.35Å; V147-L151 PolarHBondContact O-N 2.79Å; L151-L153 HydrophobicContact CB-CD2 3.62Å; L151-L153 HydrophobicContact CB-CG 3.77Å; L151-L153 HydrophobicContact CD1-CD1 4.5Å; L151-L153 HydrophobicContact CD1-CD2 4.3Å; L151-L153 PolarHBondContact O-N 2.89Å; L151-A257 HydrophobicContact CD1-CB 3.7Å; L151-F299 HydrophobicContact CD1-CE2 4.13Å; L151-F299 HydrophobicContact CD2-CE2 3.75Å; L151-F299 HydrophobicContact CD2-CZ 4.28Å; L151-F299 HydrophobicContact CG-CE2 3.73Å
152N93Very high94.6Very high147 Ų14756.8 Ų56.879%0.78628%0.275SS*.THydrogen-bonded Turntrans50.145.5-174.5-166.536.8000111.9V148 A149V148-N152 VanDerWaalsContact O-CA 3.29Å; V148-N152 WeakPolarHBondContact O-CA 3.34Å; V148-N152 PolarHBondContact O-N 3.2Å; A149-N152 PolarHBondContact O-N 2.78Å
153L93.3Very high94.9Very high16 Ų1651.4 Ų51.48%0.08425%0.25CS..  trans-68142.4-176.5-59.5-176.7000110.3V147 V148 L151 L225 A257V147-L153 HydrophobicContact CG1-CD1 4.15Å; V148-L153 HydrophobicContact CG1-CB 4.27Å; V148-L153 HydrophobicContact CG2-CB 4.36Å; V148-L153 HydrophobicContact CG2-CD1 4.23Å; V148-L153 PolarHBondContact O-N 2.77Å; L151-L153 HydrophobicContact CB-CD2 3.62Å; L151-L153 HydrophobicContact CB-CG 3.77Å; L151-L153 HydrophobicContact CD1-CD1 4.5Å; L151-L153 HydrophobicContact CD1-CD2 4.3Å; L151-L153 PolarHBondContact O-N 2.89Å; L153-L225 HydrophobicContact CD1-CD1 3.84Å; L153-A257 HydrophobicContact CD1-CB 3.84Å
154R94.4Very high95.2Very high137 Ų13749.9 Ų49.952%0.51725%0.245SC..  trans-66.6153.5164.7-67-178.8-177.4174.87.3109.1F177 D224 N254R154-F177 WeakPolarHBondContact O-CE1 3.36Å; R154-D224 HydrophobicContact CB-CB 4.35Å; R154-D224 WeakPolarHBondContact CB-OD2 3.37Å; R154-D224 WeakPolarHBondContact O-CB 3.42Å; R154-N254 VanDerWaalsContact CZ-CB 3.48Å; R154-N254 PolarHBondContact NH1-ND2 3.37Å; R154-N254 PolarHBondContact NH1-OD1 2.83Å; R154-N254 PolarHBondContact NH2-OD1 3.35Å
155K96.2Very high95.1Very high114 Ų11449.8 Ų49.850%0.49625%0.245SC..SBendtrans-111.330.2-175.9-67.2177.8-176.21760110.9V148 M176 F177 A178V148-K155 HydrophobicContact CG1-CG 4.24Å; K155-M176 WeakPolarHBondContact CB-O 3.47Å; K155-M176 HydrophobicContact CD-CG 4.43Å; K155-F177 WeakPolarHBondContact O-CA 3.29Å; K155-A178 PolarHBondContact O-N 3.34Å
156R96.9Very high95.3Very high166 Ų16647.2 Ų47.263%0.62623%0.231SC*.SBendtrans-82.5-54.4-174.8179.4-169.1169.6176.5-2.5109.9A178 Q179 D224R156-A178 PolarHBondContact O-N 2.92Å; R156-Q179 PolarHBondContact O-N 2.68Å; R156-D224 WeakPolarHBondContact CA-OD2 3.48Å; R156-D224 VanDerWaalsContact CB-OD2 3.24Å; R156-D224 WeakPolarHBondContact CB-OD2 3.07Å; R156-D224 PolarHBondContact N-OD2 3.31Å
157Y97.8Very high95.4Very high13 Ų1344.5 Ų44.55%0.05122%0.218CC..EExtended strand (participates in β ladder)trans-141.5128.2-164.6-135.5-59.4000112.1Q179 D181 V206 R222 Y223 D224 L225Y157-Q179 WeakPolarHBondContact CA-O 3.47Å; Y157-Q179 HydrophobicContact CD1-CB 4.12Å; Y157-Q179 HydrophobicContact CD2-CB 3.69Å; Y157-Q179 HydrophobicContact CD2-CG 4.46Å; Y157-Q179 VanDerWaalsContact CD2-OE1 3.27Å; Y157-Q179 HydrophobicContact CE1-CB 4.1Å; Y157-Q179 HydrophobicContact CE2-CB 3.69Å; Y157-Q179 HydrophobicContact CE2-CG 4.34Å; Y157-Q179 HydrophobicContact CG-CB 3.94Å; Y157-D181 HydrophobicContact CE1-CB 4.22Å; Y157-D181 VanDerWaalsContact CE1-CG 3.43Å; Y157-D181 WeakPolarHBondContact CE1-OD1 3.35Å; Y157-D181 WeakPolarHBondContact CE1-OD2 3.49Å; Y157-D181 PolarHBondContact OH-OD1 3.05Å; Y157-D181 PolarHBondContact OH-OD2 3.33Å; Y157-V206 HydrophobicContact CE2-CG2 4.49Å; Y157-V206 WeakPolarHBondContact OH-CB 3.34Å; Y157-V206 VanDerWaalsContact OH-CG1 3.29Å; Y157-V206 WeakPolarHBondContact OH-CG1 3.33Å; Y157-V206 WeakPolarHBondContact OH-CG2 3.36Å; Y157-R222 WeakPolarHBondContact CB-O 3.4Å; Y157-R222 HydrophobicContact CD1-CG 4.16Å; Y157-R222 HydrophobicContact CD2-CG 4.24Å; Y157-R222 HydrophobicContact CE1-CG 4.3Å; Y157-R222 HydrophobicContact CE2-CG 4.34Å; Y157-R222 HydrophobicContact CG-CG 4.12Å; Y157-Y223 AromaticContact CD1-CD1 3.77Å; Y157-Y223 HydrophobicContact CD1-CD1 3.77Å; Y157-Y223 AromaticContact CD1-CE1 3.8Å; Y157-Y223 HydrophobicContact CD1-CE1 3.8Å; Y157-Y223 HydrophobicContact CE1-CD1 4.35Å; Y157-Y223 AromaticContact CE1-CE1 3.91Å; Y157-Y223 HydrophobicContact CE1-CE1 3.91Å; Y157-D224 PolarHBondContact N-OD2 2.79Å; Y157-D224 VanDerWaalsContact N-OD2 3.1Å; Y157-D224 PolarHBondContact O-N 3.09Å; Y157-L225 PolarHBondContact O-N 3.02Å
158A98.6Very high95.6Very high0 Ų044.8 Ų44.80%022%0.22CC..EExtended strand (participates in β ladder)trans-122.2160.6172.100000112.5L173 F177 Q179 I180 D181 L225A158-L173 HydrophobicContact CB-CD1 4.38Å; A158-L173 HydrophobicContact CB-CD2 4.41Å; A158-F177 HydrophobicContact CB-CB 3.96Å; A158-F177 HydrophobicContact CB-CD1 3.88Å; A158-F177 HydrophobicContact CB-CD2 3.72Å; A158-F177 HydrophobicContact CB-CE1 4.34Å; A158-F177 HydrophobicContact CB-CE2 4.21Å; A158-F177 HydrophobicContact CB-CG 3.55Å; A158-Q179 PolarHBondContact N-O 3.12Å; A158-I180 WeakPolarHBondContact O-CA 3.3Å; A158-D181 PolarHBondContact O-N 3.23Å; A158-L225 CarbonylContact C-O 3.54Å; A158-L225 WeakPolarHBondContact CA-O 3.37Å; A158-L225 HydrophobicContact CB-CB 4.33Å
159L98.8Very high95.9Very high0 Ų044.5 Ų44.50%022%0.218CC..EExtended strand (participates in β ladder)trans-120.9129.7170.5174.964.1000109.2C161 D181 V183 F216 P218 Y223 L225 I226 W227L159-C161 VanDerWaalsContact CD2-SG 3.55Å; L159-D181 CarbonylContact C-O 3.51Å; L159-D181 WeakPolarHBondContact CA-O 3.36Å; L159-D181 HydrophobicContact CD1-CB 3.88Å; L159-V183 HydrophobicContact CD1-CG1 3.96Å; L159-F216 HydrophobicContact CD1-CE1 4.26Å; L159-F216 HydrophobicContact CD1-CZ 4.26Å; L159-F216 HydrophobicContact CD2-CE1 3.66Å; L159-F216 HydrophobicContact CD2-CZ 4.31Å; L159-P218 HydrophobicContact CD2-CB 4.4Å; L159-P218 HydrophobicContact CD2-CG 4.47Å; L159-Y223 HydrophobicContact CB-CD1 3.68Å; L159-Y223 HydrophobicContact CB-CD2 4.28Å; L159-Y223 HydrophobicContact CB-CE1 3.64Å; L159-Y223 HydrophobicContact CB-CE2 4.24Å; L159-Y223 HydrophobicContact CB-CG 3.99Å; L159-Y223 HydrophobicContact CD1-CE1 4.41Å; L159-Y223 HydrophobicContact CD2-CD2 4.35Å; L159-Y223 HydrophobicContact CD2-CE2 3.95Å; L159-Y223 HydrophobicContact CG-CE1 4.44Å; L159-L225 PolarHBondContact N-O 3.42Å; L159-I226 HydrophobicContact CB-CG1 4.21Å; L159-I226 HydrophobicContact CB-CG2 4.43Å; L159-I226 HydrophobicContact CD2-CG1 4.25Å; L159-I226 HydrophobicContact CD2-CG2 3.94Å; L159-I226 HydrophobicContact CG-CG2 4.43Å; L159-W227 PolarHBondContact O-N 3.45Å
160D98.8Very high95.9Very high2 Ų244.7 Ų44.71%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-102.5107.9172.4-1624.8000109.5C163 T169 L173 D181 V183D160-C163 HydrophobicContact CB-CB 3.87Å; D160-T169 WeakPolarHBondContact CB-OG1 3.41Å; D160-T169 WeakPolarHBondContact OD2-CB 3.11Å; D160-T169 PolarHBondContact OD2-N 2.87Å; D160-T169 PolarHBondContact OD2-OG1 3.45Å; D160-L173 HydrophobicContact CB-CD1 3.73Å; D160-D181 PolarHBondContact N-O 3.3Å; D160-V183 PolarHBondContact O-N 3.44Å
161C98.6Very high95.8Very high0 Ų038.7 Ų38.70%018%0.181CC..EExtended strand (participates in β ladder)trans-97129.6-178.5-60.20000111.9L159 C163 V183 L213 W227 I228 F243L159-C161 VanDerWaalsContact CD2-SG 3.55Å; C161-C163 VanDerWaalsContact C-N 3.34Å; C161-V183 HydrophobicContact CB-CG1 4.03Å; C161-L213 HydrophobicContact CB-CD1 4.09Å; C161-L213 HydrophobicContact CB-CD2 4.11Å; C161-W227 WeakPolarHBondContact CB-O 3.48Å; C161-W227 PolarHBondContact N-O 3.15Å; C161-I228 HydrophobicContact CB-CB 4.48Å; C161-I228 HydrophobicContact CB-CG1 4.05Å; C161-F243 HydrophobicContact CB-CZ 4.37Å
162G97Very high95.9Very high21 Ų2135.7 Ų35.722%0.21617%0.166CC..THydrogen-bonded Turntrans65.444.6-168.800000109.8G164 V183 D184G162-G164 PolarHBondContact O-N 3.08Å; G162-V183 PolarHBondContact N-O 3.37Å; G162-D184 VanDerWaalsContact C-OD2 3.26Å
163C97.8Very high96.2Very high9 Ų928.7 Ų28.76%0.06113%0.128CC..  trans-68.2-18.8-166.763.70000113.2D160 C161 I165 G166 M182 V183 D184 L190D160-C163 HydrophobicContact CB-CB 3.87Å; C161-C163 VanDerWaalsContact C-N 3.34Å; C163-I165 PolarHBondContact O-N 2.61Å; C163-G166 WeakPolarHBondContact O-CA 3.33Å; C163-G166 PolarHBondContact O-N 2.86Å; C163-M182 HydrophobicContact CB-CB 4.24Å; C163-M182 HydrophobicContact CB-CE 3.86Å; C163-M182 HydrophobicContact CB-CG 4.35Å; C163-M182 WeakPolarHBondContact SG-CE 3.22Å; C163-V183 PolarHBondContact N-O 3.07Å; C163-D184 PolarHBondContact N-OD2 2.97Å; C163-L190 VanDerWaalsContact SG-CD2 3.58Å
164G96.2Very high96.2Very high5 Ų528.7 Ų28.75%0.05213%0.13CC..THydrogen-bonded Turntrans50.5-132.6-171.100000110.8G162 G166 D184G162-G164 PolarHBondContact O-N 3.08Å; G164-G166 PolarHBondContact O-N 2.87Å; G164-D184 WeakPolarHBondContact CA-OD2 3.5Å; G164-D184 PolarHBondContact N-OD2 3.14Å
165I94.3Very high96.2Very high0 Ų025.6 Ų25.60%012%0.118CC..THydrogen-bonded Turntrans-74.83.9176.170.9-178000114.1P120 N121 V122 M125 C163 R167 F189 A192 S193 Y196P120-I165 HydrophobicContact CB-CG2 4.04Å; N121-I165 VanDerWaalsContact C-CD1 3.4Å; V122-I165 HydrophobicContact CG2-CD1 4.2Å; M125-I165 HydrophobicContact CG-CD1 4.08Å; M125-I165 HydrophobicContact CG-CG1 3.97Å; M125-I165 HydrophobicContact CG-CG2 4.24Å; M125-I165 HydrophobicContact SD-CG2 4.37Å; C163-I165 PolarHBondContact O-N 2.61Å; I165-R167 HydrophobicContact CD1-CG 4.3Å; I165-R167 HydrophobicContact CG1-CG 3.95Å; I165-F189 HydrophobicContact CG2-CB 4.28Å; I165-F189 HydrophobicContact CG2-CD1 4.44Å; I165-A192 HydrophobicContact CG2-CB 4.47Å; I165-S193 VanDerWaalsContact O-CA 3.24Å; I165-S193 WeakPolarHBondContact O-CA 3.38Å; I165-S193 WeakPolarHBondContact O-CB 3.36Å; I165-Y196 HydrophobicContact CB-CG 4.48Å; I165-Y196 HydrophobicContact CD1-CD1 4.34Å; I165-Y196 HydrophobicContact CD1-CD2 3.84Å; I165-Y196 HydrophobicContact CD1-CE2 4.09Å; I165-Y196 HydrophobicContact CD1-CG 3.96Å; I165-Y196 HydrophobicContact CG1-CD1 4.03Å; I165-Y196 HydrophobicContact CG1-CD2 4.42Å; I165-Y196 HydrophobicContact CG1-CE1 4.34Å; I165-Y196 HydrophobicContact CG1-CG 4.07Å; I165-Y196 WeakPolarHBondContact O-CD1 3.39Å
166G96Very high96Very high0 Ų021.4 Ų21.40%010%0.1CC..THydrogen-bonded Turntrans87.433177.100000114.9C163 G164 V168 K170C163-G166 WeakPolarHBondContact O-CA 3.33Å; C163-G166 PolarHBondContact O-N 2.86Å; G164-G166 PolarHBondContact O-N 2.87Å; G166-V168 PolarHBondContact O-N 3.33Å; G166-K170 WeakPolarHBondContact O-CB 3.12Å; G166-K170 PolarHBondContact O-N 3.14Å
167R94.4Very high96Very high15 Ų1513.6 Ų13.66%0.0577%0.071CC..Hα-helixtrans-57.6-48.6175.4-57.2-170-48.9113.49.7111.7L126 S133 D136 I165 A171 Y196L126-R167 VanDerWaalsContact CD2-NH2 3.29Å; S133-R167 PolarHBondContact OG-NH1 2.92Å; S133-R167 VanDerWaalsContact OG-NH1 3.09Å; D136-R167 IonicContact OD2-CZ 2.7Å; D136-R167 IonicContact OD2-NH1 3.67Å; D136-R167 PolarHBondContact OD2-NH1 3.49Å; D136-R167 IonicContact OD2-NH2 3.75Å; D136-R167 PolarHBondContact OD2-NH2 2.64Å; I165-R167 HydrophobicContact CD1-CG 4.3Å; I165-R167 HydrophobicContact CG1-CG 3.95Å; R167-A171 WeakPolarHBondContact O-CB 3Å; R167-A171 PolarHBondContact O-N 2.71Å; R167-Y196 HydrophobicContact CB-CE1 4.46Å; R167-Y196 HydrophobicContact CG-CE1 4.17Å
168V96.5Very high95.8Very high11 Ų1115.8 Ų15.87%0.0679%0.092CC..Hα-helixtrans-70.3-47.3178.9171.50000110.6G166 K170 A171 V172 L173 W227 Q229G166-V168 PolarHBondContact O-N 3.33Å; V168-K170 VanDerWaalsContact C-N 3.35Å; V168-K170 PolarHBondContact O-N 3.09Å; V168-A171 PolarHBondContact O-N 3.08Å; V168-V172 HydrophobicContact CG1-CB 4.12Å; V168-V172 HydrophobicContact CG1-CG2 4.48Å; V168-V172 WeakPolarHBondContact O-CA 3.41Å; V168-V172 VanDerWaalsContact O-CB 3.31Å; V168-V172 WeakPolarHBondContact O-CB 3.46Å; V168-V172 PolarHBondContact O-N 3.24Å; V168-L173 HydrophobicContact CG1-CD1 4.03Å; V168-L173 HydrophobicContact CG1-CG 3.92Å; V168-L173 PolarHBondContact O-N 2.93Å; V168-W227 HydrophobicContact CG1-CD2 4.37Å; V168-W227 HydrophobicContact CG1-CG 4.04Å; V168-Q229 VanDerWaalsContact CG2-OE1 3.26Å
169T97.7Very high95.8Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-49.2-54.3171.8-67.90000111.7D160 S174 I180 M182 M197 V201 V205D160-T169 WeakPolarHBondContact CB-OG1 3.41Å; D160-T169 WeakPolarHBondContact OD2-CB 3.11Å; D160-T169 PolarHBondContact OD2-N 2.87Å; D160-T169 PolarHBondContact OD2-OG1 3.45Å; T169-S174 WeakPolarHBondContact O-CB 3.3Å; T169-S174 PolarHBondContact O-N 2.85Å; T169-I180 HydrophobicContact CG2-CD1 4Å; T169-I180 HydrophobicContact CG2-CG2 4.05Å; T169-M182 HydrophobicContact CG2-CG 4.47Å; T169-M182 HydrophobicContact CG2-SD 4.15Å; T169-M197 HydrophobicContact CG2-SD 3.38Å; T169-M197 WeakPolarHBondContact CG2-SD 3.44Å; T169-V201 HydrophobicContact CG2-CG1 4.11Å; T169-V205 HydrophobicContact CG2-CG2 4.03Å
170K93.7Very high95.8Very high81 Ų8119.1 Ų19.135%0.35211%0.107SC..Hα-helixtrans-62.1-57.4-179.3-169.2-173.6-171.8169.90112.3G166 V168 S174 Y196 M197 V201G166-K170 WeakPolarHBondContact O-CB 3.12Å; G166-K170 PolarHBondContact O-N 3.14Å; V168-K170 VanDerWaalsContact C-N 3.35Å; V168-K170 PolarHBondContact O-N 3.09Å; K170-S174 PolarHBondContact O-OG 3.1Å; K170-Y196 HydrophobicContact CB-CE1 4.12Å; K170-Y196 HydrophobicContact CD-CD1 4.19Å; K170-Y196 HydrophobicContact CD-CE1 3.7Å; K170-Y196 WeakPolarHBondContact CE-O 3.19Å; K170-Y196 PolarHBondContact NZ-O 2.64Å; K170-M197 HydrophobicContact CB-CG 4.08Å; K170-V201 HydrophobicContact CG-CG2 4.14Å
171A89.8Confident95.8Very high11 Ų1119 Ų199%0.09111%0.107CC..Hα-helixtrans-92-25.3-164.100000113.2I137 R141 R167 V168I137-A171 HydrophobicContact CB-CB 4.37Å; I137-A171 HydrophobicContact CD1-CB 3.56Å; I137-A171 HydrophobicContact CG1-CB 3.81Å; I137-A171 HydrophobicContact CG2-CB 3.61Å; R141-A171 PolarHBondContact NE-O 3.39Å; R141-A171 PolarHBondContact NH2-O 2.77Å; R167-A171 WeakPolarHBondContact O-CB 3Å; R167-A171 PolarHBondContact O-N 2.71Å; V168-A171 PolarHBondContact O-N 3.08Å
172V95.1Very high95.8Very high2 Ų219 Ų191%0.01211%0.107CC..THydrogen-bonded Turntrans-110.5-61.4-172.3-175.60000110.8I137 L144 V168 R175 W227I137-V172 HydrophobicContact CG2-CG2 4.41Å; L144-V172 HydrophobicContact CB-CG1 4.5Å; L144-V172 HydrophobicContact CD2-CG1 3.76Å; V168-V172 HydrophobicContact CG1-CB 4.12Å; V168-V172 HydrophobicContact CG1-CG2 4.48Å; V168-V172 WeakPolarHBondContact O-CA 3.41Å; V168-V172 VanDerWaalsContact O-CB 3.31Å; V168-V172 WeakPolarHBondContact O-CB 3.46Å; V168-V172 PolarHBondContact O-N 3.24Å; V172-R175 WeakPolarHBondContact O-CB 3.45Å; V172-W227 HydrophobicContact CG1-CH2 4.47Å
173L97.7Very high95.9Very high0 Ų018 Ų180%010%0.096CC..G310 helixtrans-74.5-41.1-169.8-60177.3000112.5L144 A158 D160 V168 R175 M176 F177 I180 L225 W227L144-L173 HydrophobicContact CD2-CD2 4.21Å; A158-L173 HydrophobicContact CB-CD1 4.38Å; A158-L173 HydrophobicContact CB-CD2 4.41Å; D160-L173 HydrophobicContact CB-CD1 3.73Å; V168-L173 HydrophobicContact CG1-CD1 4.03Å; V168-L173 HydrophobicContact CG1-CG 3.92Å; V168-L173 PolarHBondContact O-N 2.93Å; L173-R175 PolarHBondContact O-N 3.21Å; L173-R175 VanDerWaalsContact O-N 3.09Å; L173-M176 PolarHBondContact O-N 2.72Å; L173-F177 HydrophobicContact CB-CD2 4.43Å; L173-F177 HydrophobicContact CD2-CD2 4.29Å; L173-F177 HydrophobicContact CD2-CE2 4.25Å; L173-F177 PolarHBondContact O-N 2.95Å; L173-I180 HydrophobicContact CB-CD1 3.78Å; L173-I180 HydrophobicContact CB-CG1 4.38Å; L173-I180 HydrophobicContact CD1-CG2 4.31Å; L173-L225 HydrophobicContact CD2-CD2 3.69Å; L173-W227 HydrophobicContact CD1-CB 4.24Å; L173-W227 HydrophobicContact CD2-CB 4.26Å; L173-W227 HydrophobicContact CD2-CE3 4.38Å; L173-W227 HydrophobicContact CD2-CG 4.49Å
174S95.2Very high95.9Very high16 Ų1618.3 Ų18.311%0.11210%0.097CC..G310 helixtrans-63.7-18.2-178.383.50000113.8T169 K170 M176 K204T169-S174 WeakPolarHBondContact O-CB 3.3Å; T169-S174 PolarHBondContact O-N 2.85Å; K170-S174 PolarHBondContact O-OG 3.1Å; S174-M176 VanDerWaalsContact C-N 3.3Å; S174-K204 PolarHBondContact O-NZ 3.33Å
175R93.5Very high95.9Very high71 Ų7120.2 Ų20.227%0.26811%0.108SC..G310 helixtrans-66.3-33.9173.4-170174.1106.8132.85.4112D145 V172 L173 E584D145-R175 IonicContact OD1-CZ 3.45Å; D145-R175 IonicContact OD1-NH2 2.68Å; D145-R175 PolarHBondContact OD1-NH2 3.33Å; D145-R175 IonicContact OD2-CZ 3.86Å; D145-R175 IonicContact OD2-NH2 3.67Å; D145-R175 PolarHBondContact OD2-NH2 3.22Å; V172-R175 WeakPolarHBondContact O-CB 3.45Å; L173-R175 PolarHBondContact O-N 3.21Å; L173-R175 VanDerWaalsContact O-N 3.09Å; R175-E584 IonicContact CZ-OE1 3.8Å; R175-E584 IonicContact NH1-OE1 3.99Å; R175-E584 PolarHBondContact NH1-OE1 2.92Å; R175-E584 IonicContact NH2-OE1 3.04Å; R175-E584 PolarHBondContact NH2-OE1 2.96Å
176M92.1Very high95.9Very high27 Ų2720.3 Ų20.313%0.13311%0.108CC..THydrogen-bonded Turntrans-110.9-45.7-173.9-94.7-169.1-143.900114.1L144 D145 V148 K155 L173 S174L144-M176 HydrophobicContact CD2-CE 4.41Å; L144-M176 HydrophobicContact CD2-SD 4.23Å; L144-M176 HydrophobicContact CG-CE 4.02Å; L144-M176 HydrophobicContact CG-SD 4.01Å; D145-M176 HydrophobicContact CB-CE 4.2Å; D145-M176 WeakPolarHBondContact OD1-CE 3.45Å; V148-M176 HydrophobicContact CB-CE 4.44Å; V148-M176 HydrophobicContact CB-SD 3.84Å; V148-M176 HydrophobicContact CG1-SD 3.96Å; V148-M176 HydrophobicContact CG2-CE 4.44Å; V148-M176 HydrophobicContact CG2-SD 3.51Å; V148-M176 VanDerWaalsContact CG2-SD 3.51Å; K155-M176 WeakPolarHBondContact CB-O 3.47Å; K155-M176 HydrophobicContact CD-CG 4.43Å; L173-M176 PolarHBondContact O-N 2.72Å; S174-M176 VanDerWaalsContact C-N 3.3Å
177F96.8Very high95.9Very high1 Ų125.4 Ų25.40%0.00413%0.13CC..  trans-90.3141.8-168.8-62.5-87.8000111.1L144 V148 R154 K155 A158 L173 I180 D224 L225L144-F177 HydrophobicContact CD1-CE2 4.23Å; L144-F177 HydrophobicContact CD2-CE2 4.15Å; V148-F177 HydrophobicContact CG2-CZ 4.23Å; R154-F177 WeakPolarHBondContact O-CE1 3.36Å; K155-F177 WeakPolarHBondContact O-CA 3.29Å; A158-F177 HydrophobicContact CB-CB 3.96Å; A158-F177 HydrophobicContact CB-CD1 3.88Å; A158-F177 HydrophobicContact CB-CD2 3.72Å; A158-F177 HydrophobicContact CB-CE1 4.34Å; A158-F177 HydrophobicContact CB-CE2 4.21Å; A158-F177 HydrophobicContact CB-CG 3.55Å; L173-F177 HydrophobicContact CB-CD2 4.43Å; L173-F177 HydrophobicContact CD2-CD2 4.29Å; L173-F177 HydrophobicContact CD2-CE2 4.25Å; L173-F177 PolarHBondContact O-N 2.95Å; F177-I180 HydrophobicContact CB-CG1 4.35Å; F177-D224 HydrophobicContact CE1-CB 4.18Å; F177-L225 HydrophobicContact CE1-CB 3.83Å; F177-L225 HydrophobicContact CE2-CB 4.14Å; F177-L225 HydrophobicContact CE2-CD2 3.64Å; F177-L225 HydrophobicContact CE2-CG 4.49Å; F177-L225 HydrophobicContact CZ-CB 3.46Å; F177-L225 VanDerWaalsContact CZ-CB 3.46Å; F177-L225 HydrophobicContact CZ-CD2 3.73Å; F177-L225 HydrophobicContact CZ-CG 4.11Å
178A94.1Very high95.9Very high59 Ų5928.3 Ų28.349%0.48815%0.145SC..SBendtrans-73.7-38.6178.500000112.1K155 R156 K204K155-A178 PolarHBondContact O-N 3.34Å; R156-A178 PolarHBondContact O-N 2.92Å; A178-K204 WeakPolarHBondContact O-CB 3.29Å
179Q98.1Very high95.9Very high70 Ų7028 Ų2833%0.32714%0.142SC..EExtended strand (participates in β ladder)trans-128.8142.5-179.2-67.5-176.1-49.200110.6R156 Y157 A158 K204 V206R156-Q179 PolarHBondContact O-N 2.68Å; Y157-Q179 WeakPolarHBondContact CA-O 3.47Å; Y157-Q179 HydrophobicContact CD1-CB 4.12Å; Y157-Q179 HydrophobicContact CD2-CB 3.69Å; Y157-Q179 HydrophobicContact CD2-CG 4.46Å; Y157-Q179 VanDerWaalsContact CD2-OE1 3.27Å; Y157-Q179 HydrophobicContact CE1-CB 4.1Å; Y157-Q179 HydrophobicContact CE2-CB 3.69Å; Y157-Q179 HydrophobicContact CE2-CG 4.34Å; Y157-Q179 HydrophobicContact CG-CB 3.94Å; A158-Q179 PolarHBondContact N-O 3.12Å; Q179-K204 CarbonylContact C-O 3.54Å; Q179-K204 WeakPolarHBondContact CA-O 3.39Å; Q179-V206 HydrophobicContact CB-CG2 3.74Å; Q179-V206 HydrophobicContact CG-CG2 3.84Å
180I98.7Very high95.9Very high0 Ų028.3 Ų28.30%014%0.144CC..EExtended strand (participates in β ladder)trans-136.5127.5-177.6-54.6168.1000108.8A158 T169 L173 F177 K204 V205 V206A158-I180 WeakPolarHBondContact O-CA 3.3Å; T169-I180 HydrophobicContact CG2-CD1 4Å; T169-I180 HydrophobicContact CG2-CG2 4.05Å; L173-I180 HydrophobicContact CB-CD1 3.78Å; L173-I180 HydrophobicContact CB-CG1 4.38Å; L173-I180 HydrophobicContact CD1-CG2 4.31Å; F177-I180 HydrophobicContact CB-CG1 4.35Å; I180-K204 PolarHBondContact N-O 3.24Å; I180-V205 CarbonylContact O-C 3.54Å; I180-V205 VanDerWaalsContact O-CA 3.26Å; I180-V205 WeakPolarHBondContact O-CA 3.25Å; I180-V206 PolarHBondContact O-N 2.62Å
181D98.7Very high95.9Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-96.4148.2163.6-71.1-12.7000109Y157 A158 L159 D160 V206 E207 F209 R222 Y223Y157-D181 HydrophobicContact CE1-CB 4.22Å; Y157-D181 VanDerWaalsContact CE1-CG 3.43Å; Y157-D181 WeakPolarHBondContact CE1-OD1 3.35Å; Y157-D181 WeakPolarHBondContact CE1-OD2 3.49Å; Y157-D181 PolarHBondContact OH-OD1 3.05Å; Y157-D181 PolarHBondContact OH-OD2 3.33Å; A158-D181 PolarHBondContact O-N 3.23Å; L159-D181 CarbonylContact C-O 3.51Å; L159-D181 WeakPolarHBondContact CA-O 3.36Å; L159-D181 HydrophobicContact CD1-CB 3.88Å; D160-D181 PolarHBondContact N-O 3.3Å; D181-V206 WeakPolarHBondContact OD1-CB 3.38Å; D181-E207 WeakPolarHBondContact CA-O 3.09Å; D181-E207 PolarHBondContact OD1-N 3.02Å; D181-F209 HydrophobicContact CB-CE2 3.96Å; D181-R222 WeakPolarHBondContact OD2-CD 3.49Å; D181-R222 IonicContact OD2-CZ 3.47Å; D181-R222 IonicContact OD2-NH1 3.46Å; D181-R222 PolarHBondContact OD2-NH1 3.06Å; D181-Y223 HydrophobicContact CB-CE1 3.97Å; D181-Y223 PolarHBondContact OD2-OH 3.45Å
182M98.7Very high95.9Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-119.8138.5179.6-69.6175.272.500109.2C163 T169 M197 V205 E207 K208 F209C163-M182 HydrophobicContact CB-CB 4.24Å; C163-M182 HydrophobicContact CB-CE 3.86Å; C163-M182 HydrophobicContact CB-CG 4.35Å; C163-M182 WeakPolarHBondContact SG-CE 3.22Å; T169-M182 HydrophobicContact CG2-CG 4.47Å; T169-M182 HydrophobicContact CG2-SD 4.15Å; M182-M197 HydrophobicContact CE-CE 4.02Å; M182-M197 HydrophobicContact CE-SD 4.17Å; M182-M197 HydrophobicContact SD-CE 3.64Å; M182-M197 HydrophobicContact SD-SD 4.06Å; M182-V205 HydrophobicContact CG-CG1 4.24Å; M182-V205 HydrophobicContact SD-CG1 3.83Å; M182-V205 HydrophobicContact SD-CG2 3.91Å; M182-E207 PolarHBondContact N-O 3.3Å; M182-K208 HydrophobicContact CB-CG 4.28Å; M182-K208 CarbonylContact O-C 3.5Å; M182-K208 WeakPolarHBondContact O-CA 3.41Å; M182-K208 HydrophobicContact SD-CG 4.46Å; M182-F209 PolarHBondContact O-N 2.95Å
183V98.6Very high95.9Very high0 Ų029.9 Ų29.90%016%0.159CC..EExtended strand (participates in β ladder)trans-134.5129171.859.40000111L159 D160 C161 G162 C163 F209 L213 F216L159-V183 HydrophobicContact CD1-CG1 3.96Å; D160-V183 PolarHBondContact O-N 3.44Å; C161-V183 HydrophobicContact CB-CG1 4.03Å; G162-V183 PolarHBondContact N-O 3.37Å; C163-V183 PolarHBondContact N-O 3.07Å; V183-F209 VanDerWaalsContact CA-O 3.32Å; V183-F209 WeakPolarHBondContact CA-O 3.25Å; V183-F209 HydrophobicContact CB-CB 3.96Å; V183-F209 HydrophobicContact CG2-CB 3.85Å; V183-L213 HydrophobicContact CG1-CD2 3.73Å; V183-L213 HydrophobicContact CG2-CD2 4.03Å; V183-F216 HydrophobicContact CB-CD1 4.48Å; V183-F216 HydrophobicContact CB-CE1 4.37Å; V183-F216 HydrophobicContact CB-CE2 4.41Å; V183-F216 HydrophobicContact CB-CZ 4.33Å; V183-F216 HydrophobicContact CG1-CD1 4.11Å; V183-F216 HydrophobicContact CG1-CE1 4.02Å; V183-F216 HydrophobicContact CG1-CZ 4.41Å; V183-F216 HydrophobicContact CG2-CB 4.29Å; V183-F216 HydrophobicContact CG2-CD1 4.16Å; V183-F216 HydrophobicContact CG2-CD2 3.85Å; V183-F216 HydrophobicContact CG2-CE1 4.49Å; V183-F216 HydrophobicContact CG2-CE2 4.2Å; V183-F216 HydrophobicContact CG2-CG 3.83Å
184D98.3Very high95.3Very high16 Ų1631.7 Ų31.79%0.08617%0.173CC..EExtended strand (participates in β ladder)trans-148.9156.5175-152.5-74.4000110.3G162 C163 G164 T186 L190 F209 C210 C211G162-D184 VanDerWaalsContact C-OD2 3.26Å; C163-D184 PolarHBondContact N-OD2 2.97Å; G164-D184 WeakPolarHBondContact CA-OD2 3.5Å; G164-D184 PolarHBondContact N-OD2 3.14Å; D184-T186 PolarHBondContact OD1-N 3.36Å; D184-L190 HydrophobicContact CB-CD1 4.4Å; D184-L190 HydrophobicContact CB-CD2 3.94Å; D184-L190 HydrophobicContact CB-CG 4.07Å; D184-F209 PolarHBondContact N-O 3.19Å; D184-C210 CarbonylContact O-C 3.6Å; D184-C210 VanDerWaalsContact O-CA 3.23Å; D184-C210 WeakPolarHBondContact O-CA 3.43Å; D184-C211 CarbonylContact C-O 3.51Å; D184-C211 PolarHBondContact O-N 3.02Å
185V95.4Very high94.5Very high44 Ų4437.5 Ų37.527%0.26720%0.204SC..SBendtrans-81.2-30.3174.968.40000111.2E112E112-V185 HydrophobicContact CG-CG2 3.99Å
186T95.8Very high93.9Very high2 Ų237 Ų371%0.01220%0.202CC..  trans-92.2109.7-171.5-54.60000111.4D184 E188 F189 L190D184-T186 PolarHBondContact OD1-N 3.36Å; T186-E188 VanDerWaalsContact C-N 3.29Å; T186-E188 HydrophobicContact CG2-CB 4.22Å; T186-E188 WeakPolarHBondContact CG2-OE2 3.3Å; T186-E188 PolarHBondContact O-N 3.33Å; T186-F189 VanDerWaalsContact CB-CD2 3.43Å; T186-F189 HydrophobicContact CG2-CD1 3.93Å; T186-F189 HydrophobicContact CG2-CD2 3.73Å; T186-F189 HydrophobicContact CG2-CE1 3.94Å; T186-F189 HydrophobicContact CG2-CE2 3.74Å; T186-F189 HydrophobicContact CG2-CG 3.81Å; T186-F189 HydrophobicContact CG2-CZ 3.84Å; T186-F189 PolarHBondContact O-N 2.94Å; T186-L190 PolarHBondContact O-N 3.19Å
187K94.9Very high93.7Very high107 Ų10735.9 Ų35.947%0.46520%0.197SC..Hα-helixtrans-59.9-39.4-177.7-168.1-168.8-178.1-50.60112.5F189 L190 D191K187-F189 PolarHBondContact O-N 2.86Å; K187-L190 PolarHBondContact O-N 3.48Å; K187-L190 VanDerWaalsContact O-N 3.1Å; K187-D191 IonicContact NZ-OD1 2.79Å; K187-D191 PolarHBondContact NZ-OD1 2.99Å; K187-D191 IonicContact NZ-OD2 2.79Å; K187-D191 PolarHBondContact NZ-OD2 3.21Å; K187-D191 PolarHBondContact O-N 3.33Å
188E95Very high92.5Very high76 Ų7637.3 Ų37.336%0.35521%0.211SC..Hα-helixtrans-59.1-34.6-178.6-66.877.3-175.800111.5K116 T186 A192K116-E188 VanDerWaalsContact CE-OE1 3.23Å; K116-E188 WeakPolarHBondContact CE-OE1 3.31Å; T186-E188 VanDerWaalsContact C-N 3.29Å; T186-E188 HydrophobicContact CG2-CB 4.22Å; T186-E188 WeakPolarHBondContact CG2-OE2 3.3Å; T186-E188 PolarHBondContact O-N 3.33Å; E188-A192 WeakPolarHBondContact O-CB 3.27Å; E188-A192 PolarHBondContact O-N 3.4Å; E188-A192 VanDerWaalsContact O-N 3.07Å
189F97.1Very high91.4Very high4 Ų442.8 Ų42.82%0.01822%0.224CC..Hα-helixtrans-71.4-43.6175.2-59.1-17.1000111.9W115 I118 P120 M125 I165 T186 K187 D191 A192 S193W115-F189 HydrophobicContact CB-CE2 4.22Å; W115-F189 HydrophobicContact CB-CZ 4.43Å; W115-F189 HydrophobicContact CE3-CE2 4.12Å; W115-F189 HydrophobicContact CE3-CZ 4.24Å; W115-F189 WeakPolarHBondContact O-CZ 3.48Å; I118-F189 HydrophobicContact CB-CZ 4.12Å; I118-F189 HydrophobicContact CG2-CZ 4.31Å; I118-F189 WeakPolarHBondContact O-CE1 3.34Å; P120-F189 HydrophobicContact CB-CD1 3.87Å; P120-F189 HydrophobicContact CB-CE1 4.36Å; M125-F189 HydrophobicContact CE-CD1 3.88Å; M125-F189 HydrophobicContact CE-CD2 3.82Å; M125-F189 HydrophobicContact CE-CE1 3.4Å; M125-F189 HydrophobicContact CE-CE2 3.33Å; M125-F189 HydrophobicContact CE-CG 4.09Å; M125-F189 HydrophobicContact CE-CZ 3.09Å; M125-F189 HydrophobicContact SD-CD2 4.03Å; M125-F189 HydrophobicContact SD-CE2 4.06Å; M125-F189 HydrophobicContact SD-CG 4.32Å; M125-F189 HydrophobicContact SD-CZ 4.34Å; I165-F189 HydrophobicContact CG2-CB 4.28Å; I165-F189 HydrophobicContact CG2-CD1 4.44Å; T186-F189 VanDerWaalsContact CB-CD2 3.43Å; T186-F189 HydrophobicContact CG2-CD1 3.93Å; T186-F189 HydrophobicContact CG2-CD2 3.73Å; T186-F189 HydrophobicContact CG2-CE1 3.94Å; T186-F189 HydrophobicContact CG2-CE2 3.74Å; T186-F189 HydrophobicContact CG2-CG 3.81Å; T186-F189 HydrophobicContact CG2-CZ 3.84Å; T186-F189 PolarHBondContact O-N 2.94Å; K187-F189 PolarHBondContact O-N 2.86Å; F189-D191 VanDerWaalsContact C-N 3.31Å; F189-D191 PolarHBondContact O-N 3.41Å; F189-A192 PolarHBondContact O-N 2.92Å; F189-S193 WeakPolarHBondContact O-CB 3.48Å; F189-S193 PolarHBondContact O-N 3.21Å
190L96.4Very high90.2Very high8 Ų849.8 Ų49.84%0.04225%0.248CC..Hα-helixtrans-63.5-37.4177.4-66.5177.3000112.1C163 D184 T186 K187 S193 K208 C210C163-L190 VanDerWaalsContact SG-CD2 3.58Å; D184-L190 HydrophobicContact CB-CD1 4.4Å; D184-L190 HydrophobicContact CB-CD2 3.94Å; D184-L190 HydrophobicContact CB-CG 4.07Å; T186-L190 PolarHBondContact O-N 3.19Å; K187-L190 PolarHBondContact O-N 3.48Å; K187-L190 VanDerWaalsContact O-N 3.1Å; L190-S193 PolarHBondContact O-OG 2.75Å; L190-K208 HydrophobicContact CD2-CB 4.43Å; L190-K208 PolarHBondContact O-NZ 2.99Å; L190-C210 HydrophobicContact CD1-CB 3.7Å
191D93.7Very high89.4Confident99 Ų9950.7 Ų50.753%0.52925%0.253SS..Hα-helixtrans-66.9-47.6175.6-69.8-13.5000110.9K187 F189 S193K187-D191 IonicContact NZ-OD1 2.79Å; K187-D191 PolarHBondContact NZ-OD1 2.99Å; K187-D191 IonicContact NZ-OD2 2.79Å; K187-D191 PolarHBondContact NZ-OD2 3.21Å; K187-D191 PolarHBondContact O-N 3.33Å; F189-D191 VanDerWaalsContact C-N 3.31Å; F189-D191 PolarHBondContact O-N 3.41Å; D191-S193 VanDerWaalsContact C-N 3.3Å; D191-S193 PolarHBondContact O-N 3.34Å
192A91.3Very high88.5Confident28 Ų2852.9 Ų52.923%0.23127%0.265CS..Hα-helixtrans-69.2-26179.600000113.9P120 I165 E188 F189 A194 N195 Y196P120-A192 HydrophobicContact CB-CB 3.59Å; P120-A192 HydrophobicContact CG-CB 4.14Å; I165-A192 HydrophobicContact CG2-CB 4.47Å; E188-A192 WeakPolarHBondContact O-CB 3.27Å; E188-A192 PolarHBondContact O-N 3.4Å; E188-A192 VanDerWaalsContact O-N 3.07Å; F189-A192 PolarHBondContact O-N 2.92Å; A192-A194 PolarHBondContact O-N 3.47Å; A192-A194 VanDerWaalsContact O-N 3.14Å; A192-N195 PolarHBondContact O-N 2.84Å; A192-N195 VanDerWaalsContact O-N 3.16Å; A192-Y196 PolarHBondContact O-N 3.24Å
193S93Very high87.7Confident0 Ų056.7 Ų56.70%030%0.296CS..Hα-helixtrans-57.4-33.1-174.866.70000113.4I165 F189 L190 D191 N195 Y196 M197 K208I165-S193 VanDerWaalsContact O-CA 3.24Å; I165-S193 WeakPolarHBondContact O-CA 3.38Å; I165-S193 WeakPolarHBondContact O-CB 3.36Å; F189-S193 WeakPolarHBondContact O-CB 3.48Å; F189-S193 PolarHBondContact O-N 3.21Å; L190-S193 PolarHBondContact O-OG 2.75Å; D191-S193 VanDerWaalsContact C-N 3.3Å; D191-S193 PolarHBondContact O-N 3.34Å; S193-N195 PolarHBondContact O-N 2.78Å; S193-Y196 PolarHBondContact O-N 3.13Å; S193-M197 VanDerWaalsContact O-CB 3.31Å; S193-M197 WeakPolarHBondContact O-CB 3.28Å; S193-M197 WeakPolarHBondContact O-CG 3.32Å; S193-M197 PolarHBondContact O-N 2.74Å; S193-K208 WeakPolarHBondContact OG-CE 3.48Å; S193-K208 PolarHBondContact OG-NZ 3.39Å
194A85.4Confident87.5Confident37 Ų3760.1 Ų60.131%0.30631%0.311SS..Hα-helixtrans-62.7-43.8-179.300000111.8A192 G198 N202A192-A194 PolarHBondContact O-N 3.47Å; A192-A194 VanDerWaalsContact O-N 3.14Å; A194-G198 PolarHBondContact O-N 2.82Å; A194-N202 WeakPolarHBondContact CA-OD1 3.37Å; A194-N202 PolarHBondContact O-ND2 2.99Å
195N78.5Confident87.4Confident139 Ų13960.5 Ų60.574%0.74331%0.314SS*.Hα-helixtrans-66.4-45.9177-170.922.6000110.7A192 S193 M197A192-N195 PolarHBondContact O-N 2.84Å; A192-N195 VanDerWaalsContact O-N 3.16Å; S193-N195 PolarHBondContact O-N 2.78Å; N195-M197 PolarHBondContact O-N 2.99Å
196Y81.9Confident87.5Confident59 Ų5961.5 Ų61.523%0.23132%0.32CS..Hα-helixtrans-60.8-43.8179.9174.2-97.2000113.2V122 I165 R167 K170 A192 S193V122-Y196 HydrophobicContact CG2-CD2 4.3Å; V122-Y196 HydrophobicContact CG2-CE2 3.42Å; V122-Y196 VanDerWaalsContact CG2-CE2 3.42Å; I165-Y196 HydrophobicContact CB-CG 4.48Å; I165-Y196 HydrophobicContact CD1-CD1 4.34Å; I165-Y196 HydrophobicContact CD1-CD2 3.84Å; I165-Y196 HydrophobicContact CD1-CE2 4.09Å; I165-Y196 HydrophobicContact CD1-CG 3.96Å; I165-Y196 HydrophobicContact CG1-CD1 4.03Å; I165-Y196 HydrophobicContact CG1-CD2 4.42Å; I165-Y196 HydrophobicContact CG1-CE1 4.34Å; I165-Y196 HydrophobicContact CG1-CG 4.07Å; I165-Y196 WeakPolarHBondContact O-CD1 3.39Å; R167-Y196 HydrophobicContact CB-CE1 4.46Å; R167-Y196 HydrophobicContact CG-CE1 4.17Å; K170-Y196 HydrophobicContact CB-CE1 4.12Å; K170-Y196 HydrophobicContact CD-CD1 4.19Å; K170-Y196 HydrophobicContact CD-CE1 3.7Å; K170-Y196 WeakPolarHBondContact CE-O 3.19Å; K170-Y196 PolarHBondContact NZ-O 2.64Å; A192-Y196 PolarHBondContact O-N 3.24Å; S193-Y196 PolarHBondContact O-N 3.13Å
197M87.3Confident87.5Confident5 Ų566 Ų663%0.02534%0.341CS..Hα-helixtrans-76.6-30.6-174.6-67.1-168.1-64.700113.3T169 K170 M182 S193 N195 V201 N202 V205T169-M197 HydrophobicContact CG2-SD 3.38Å; T169-M197 WeakPolarHBondContact CG2-SD 3.44Å; K170-M197 HydrophobicContact CB-CG 4.08Å; M182-M197 HydrophobicContact CE-CE 4.02Å; M182-M197 HydrophobicContact CE-SD 4.17Å; M182-M197 HydrophobicContact SD-CE 3.64Å; M182-M197 HydrophobicContact SD-SD 4.06Å; S193-M197 VanDerWaalsContact O-CB 3.31Å; S193-M197 WeakPolarHBondContact O-CB 3.28Å; S193-M197 WeakPolarHBondContact O-CG 3.32Å; S193-M197 PolarHBondContact O-N 2.74Å; N195-M197 PolarHBondContact O-N 2.99Å; M197-V201 HydrophobicContact CB-CB 4.01Å; M197-V201 HydrophobicContact CB-CG1 3.89Å; M197-V201 HydrophobicContact CG-CG1 4.29Å; M197-V201 HydrophobicContact SD-CG1 3.96Å; M197-N202 WeakPolarHBondContact CE-OD1 3.47Å; M197-V205 HydrophobicContact CE-CG2 3.89Å; M197-V205 HydrophobicContact SD-CG2 4.42Å
198G72.1Confident87.7Confident30 Ų3064.5 Ų64.531%0.30934%0.335SS..  trans77.4161.2-176.900000113.4A194 R200 V201 N202A194-G198 PolarHBondContact O-N 2.82Å; G198-R200 VanDerWaalsContact C-N 3.34Å; G198-R200 PolarHBondContact O-N 2.7Å; G198-V201 PolarHBondContact O-N 3.18Å; G198-N202 PolarHBondContact O-N 3.36Å; G198-N202 PolarHBondContact O-ND2 3.41Å
199F71Confident87.8Confident175 Ų17563.4 Ų63.477%0.76833%0.329SS*.Hα-helixtrans-51.4-46-170.6175.3-97.1000114.3V201 N202 A203F199-V201 VanDerWaalsContact C-N 3.35Å; F199-V201 PolarHBondContact O-N 3.41Å; F199-N202 PolarHBondContact O-N 2.67Å; F199-A203 PolarHBondContact O-N 3.2Å
200R72.9Confident87.8Confident217 Ų21766.5 Ų66.582%0.81935%0.35SS*.Hα-helixtrans-61-40.4-177.1-79.4-179.4151.7-176.4-5.2113.1G198G198-R200 VanDerWaalsContact C-N 3.34Å; G198-R200 PolarHBondContact O-N 2.7Å
201V80.9Confident87.6Confident19 Ų1968.1 Ų68.112%0.11536%0.362CS..Hα-helixtrans-79.2-39.7178.9175.70000110.2T169 K170 M197 G198 F199 A203 K204 V205T169-V201 HydrophobicContact CG2-CG1 4.11Å; K170-V201 HydrophobicContact CG-CG2 4.14Å; M197-V201 HydrophobicContact CB-CB 4.01Å; M197-V201 HydrophobicContact CB-CG1 3.89Å; M197-V201 HydrophobicContact CG-CG1 4.29Å; M197-V201 HydrophobicContact SD-CG1 3.96Å; G198-V201 PolarHBondContact O-N 3.18Å; F199-V201 VanDerWaalsContact C-N 3.35Å; F199-V201 PolarHBondContact O-N 3.41Å; V201-A203 PolarHBondContact O-N 3.48Å; V201-K204 WeakPolarHBondContact O-CB 3.31Å; V201-K204 PolarHBondContact O-N 2.92Å; V201-V205 PolarHBondContact O-N 3.41Å
202N80.3Confident87.6Confident46 Ų4663.9 Ų63.925%0.24634%0.341CS..Hα-helixtrans-55.3-36.2175.4-73.3-28.7000112.6A194 M197 G198 F199 K204 V205A194-N202 WeakPolarHBondContact CA-OD1 3.37Å; A194-N202 PolarHBondContact O-ND2 2.99Å; M197-N202 WeakPolarHBondContact CE-OD1 3.47Å; G198-N202 PolarHBondContact O-N 3.36Å; G198-N202 PolarHBondContact O-ND2 3.41Å; F199-N202 PolarHBondContact O-N 2.67Å; N202-K204 PolarHBondContact O-N 2.67Å; N202-K204 VanDerWaalsContact O-N 3.14Å; N202-V205 PolarHBondContact O-N 2.88Å
203A82.3Confident87.9Confident79 Ų7963 Ų6365%0.65333%0.333SS*.THydrogen-bonded Turntrans-63.2-16.7176.900000114.2F199 V201F199-A203 PolarHBondContact O-N 3.2Å; V201-A203 PolarHBondContact O-N 3.48Å
204K93.4Very high87.8Confident72 Ų7264.4 Ų64.431%0.31334%0.339SS..THydrogen-bonded Turntrans-94.6-15.5174.5-62.2-173176.2-164.30113.1S174 A178 Q179 I180 V201 N202S174-K204 PolarHBondContact O-NZ 3.33Å; A178-K204 WeakPolarHBondContact O-CB 3.29Å; Q179-K204 CarbonylContact C-O 3.54Å; Q179-K204 WeakPolarHBondContact CA-O 3.39Å; I180-K204 PolarHBondContact N-O 3.24Å; V201-K204 WeakPolarHBondContact O-CB 3.31Å; V201-K204 PolarHBondContact O-N 2.92Å; N202-K204 PolarHBondContact O-N 2.67Å; N202-K204 VanDerWaalsContact O-N 3.14Å
205V96.1Very high88.1Confident25 Ų2567.9 Ų67.915%0.15235%0.349CS..EExtended strand (participates in β ladder)trans-78.6125.2178.4179.50000108.6T169 I180 M182 M197 V201 N202 K208T169-V205 HydrophobicContact CG2-CG2 4.03Å; I180-V205 CarbonylContact O-C 3.54Å; I180-V205 VanDerWaalsContact O-CA 3.26Å; I180-V205 WeakPolarHBondContact O-CA 3.25Å; M182-V205 HydrophobicContact CG-CG1 4.24Å; M182-V205 HydrophobicContact SD-CG1 3.83Å; M182-V205 HydrophobicContact SD-CG2 3.91Å; M197-V205 HydrophobicContact CE-CG2 3.89Å; M197-V205 HydrophobicContact SD-CG2 4.42Å; V201-V205 PolarHBondContact O-N 3.41Å; N202-V205 PolarHBondContact O-N 2.88Å; V205-K208 HydrophobicContact CG1-CG 4.04Å
206V97Very high88.8Confident64 Ų6461.5 Ų61.539%0.38832%0.315SS..EExtended strand (participates in β ladder)trans-101-59.2-176.5-1760000110.7Y157 Q179 I180 D181Y157-V206 HydrophobicContact CE2-CG2 4.49Å; Y157-V206 WeakPolarHBondContact OH-CB 3.34Å; Y157-V206 VanDerWaalsContact OH-CG1 3.29Å; Y157-V206 WeakPolarHBondContact OH-CG1 3.33Å; Y157-V206 WeakPolarHBondContact OH-CG2 3.36Å; Q179-V206 HydrophobicContact CB-CG2 3.74Å; Q179-V206 HydrophobicContact CG-CG2 3.84Å; I180-V206 PolarHBondContact O-N 2.62Å; D181-V206 WeakPolarHBondContact OD1-CB 3.38Å
207E97.1Very high89.4Confident98 Ų9863.4 Ų63.446%0.45833%0.328SS..EExtended strand (participates in β ladder)trans-121.6145.3176.8-67.5-67.5167.200112.1D181 M182 F209D181-E207 WeakPolarHBondContact CA-O 3.09Å; D181-E207 PolarHBondContact OD1-N 3.02Å; M182-E207 PolarHBondContact N-O 3.3Å; E207-F209 HydrophobicContact CB-CD2 4.29Å; E207-F209 HydrophobicContact CB-CE1 4.34Å; E207-F209 HydrophobicContact CB-CE2 3.62Å; E207-F209 HydrophobicContact CB-CZ 3.64Å; E207-F209 HydrophobicContact CG-CE2 4.5Å; E207-F209 HydrophobicContact CG-CZ 4.08Å
208K98.2Very high89.7Confident75 Ų7563.3 Ų63.333%0.32633%0.328SS..EExtended strand (participates in β ladder)trans-118.3105.6170-68.6-177.5176.5-179.10109.2M182 L190 S193 V205M182-K208 HydrophobicContact CB-CG 4.28Å; M182-K208 CarbonylContact O-C 3.5Å; M182-K208 WeakPolarHBondContact O-CA 3.41Å; M182-K208 HydrophobicContact SD-CG 4.46Å; L190-K208 HydrophobicContact CD2-CB 4.43Å; L190-K208 PolarHBondContact O-NZ 2.99Å; S193-K208 WeakPolarHBondContact OG-CE 3.48Å; S193-K208 PolarHBondContact OG-NZ 3.39Å; V205-K208 HydrophobicContact CG1-CG 4.04Å
209F97.9Very high90.8Very high52 Ų5263.5 Ų63.523%0.22832%0.324CS..EExtended strand (participates in β ladder)trans-89.6118178.9-57.8-80.1000110.1D181 M182 V183 D184 E207 C211 F216 P219D181-F209 HydrophobicContact CB-CE2 3.96Å; M182-F209 PolarHBondContact O-N 2.95Å; V183-F209 VanDerWaalsContact CA-O 3.32Å; V183-F209 WeakPolarHBondContact CA-O 3.25Å; V183-F209 HydrophobicContact CB-CB 3.96Å; V183-F209 HydrophobicContact CG2-CB 3.85Å; D184-F209 PolarHBondContact N-O 3.19Å; E207-F209 HydrophobicContact CB-CD2 4.29Å; E207-F209 HydrophobicContact CB-CE1 4.34Å; E207-F209 HydrophobicContact CB-CE2 3.62Å; E207-F209 HydrophobicContact CB-CZ 3.64Å; E207-F209 HydrophobicContact CG-CE2 4.5Å; E207-F209 HydrophobicContact CG-CZ 4.08Å; F209-C211 PolarHBondContact O-N 3.36Å; F209-F216 HydrophobicContact CB-CD2 4.2Å; F209-F216 HydrophobicContact CB-CE2 3.79Å; F209-F216 AromaticContact CD1-CE2 3.9Å; F209-F216 HydrophobicContact CD1-CE2 3.9Å; F209-F216 AromaticContact CD2-CE2 3.61Å; F209-F216 HydrophobicContact CD2-CE2 3.61Å; F209-F216 AromaticContact CD2-CZ 3.82Å; F209-F216 HydrophobicContact CD2-CZ 3.82Å; F209-F216 HydrophobicContact CE1-CE2 4.38Å; F209-F216 HydrophobicContact CE2-CE2 4.13Å; F209-F216 HydrophobicContact CE2-CZ 4.13Å; F209-F216 HydrophobicContact CG-CD2 4.33Å; F209-F216 AromaticContact CG-CE2 3.48Å; F209-F216 HydrophobicContact CG-CE2 3.48Å; F209-F216 VanDerWaalsContact CG-CE2 3.48Å; F209-F216 HydrophobicContact CG-CZ 4.18Å; F209-F216 HydrophobicContact CZ-CE2 4.49Å; F209-P219 HydrophobicContact CZ-CG 4.37Å
210C96.9Very high91.8Very high69 Ų6959 Ų5947%0.46632%0.318SS..EExtended strand (participates in β ladder)trans-96.282.7175.9-165.30000109.7D184 L190D184-C210 CarbonylContact O-C 3.6Å; D184-C210 VanDerWaalsContact O-CA 3.23Å; D184-C210 WeakPolarHBondContact O-CA 3.43Å; L190-C210 HydrophobicContact CD1-CB 3.7Å
211C93.1Very high92.8Very high43 Ų4352.9 Ų52.929%0.29130%0.302SS..SBendtrans-160.5155.9176.262.60000112.5D184 F209D184-C211 CarbonylContact C-O 3.51Å; D184-C211 PolarHBondContact O-N 3.02Å; F209-C211 PolarHBondContact O-N 3.36Å
212G93.8Very high93.5Very high10 Ų1055.9 Ų55.910%0.10331%0.311CS..  trans-66144.2173.200000112.7Q214 H215 F216G212-Q214 PolarHBondContact O-N 3.28Å; G212-H215 PolarHBondContact O-N 3.34Å; G212-F216 PolarHBondContact O-N 3.08Å
213L95.9Very high94.4Very high10 Ų1053.7 Ų53.75%0.05230%0.299CS..THydrogen-bonded Turntrans-63.8-23.4-177.3-63.9-176.4000113.2C161 V183 H215 F216 V231 L235 F243 R246C161-L213 HydrophobicContact CB-CD1 4.09Å; C161-L213 HydrophobicContact CB-CD2 4.11Å; V183-L213 HydrophobicContact CG1-CD2 3.73Å; V183-L213 HydrophobicContact CG2-CD2 4.03Å; L213-H215 PolarHBondContact O-N 2.79Å; L213-F216 HydrophobicContact CD2-CB 4.32Å; L213-F216 HydrophobicContact CD2-CD1 4.35Å; L213-F216 PolarHBondContact O-N 3.37Å; L213-V231 HydrophobicContact CD1-CB 4.34Å; L213-V231 HydrophobicContact CD1-CG1 3.59Å; L213-V231 HydrophobicContact CD1-CG2 3.8Å; L213-L235 HydrophobicContact CB-CD1 4.01Å; L213-L235 HydrophobicContact CB-CD2 4.05Å; L213-L235 HydrophobicContact CB-CG 4.41Å; L213-F243 HydrophobicContact CB-CD1 4.45Å; L213-F243 HydrophobicContact CB-CD2 4.21Å; L213-F243 HydrophobicContact CB-CE1 4.42Å; L213-F243 HydrophobicContact CB-CE2 4.21Å; L213-F243 HydrophobicContact CB-CG 4.35Å; L213-F243 HydrophobicContact CB-CZ 4.3Å; L213-F243 HydrophobicContact CD1-CE1 3.88Å; L213-F243 HydrophobicContact CD1-CZ 3.96Å; L213-F243 HydrophobicContact CD2-CE2 3.97Å; L213-F243 HydrophobicContact CD2-CZ 3.86Å; L213-F243 HydrophobicContact CG-CE2 4.5Å; L213-F243 HydrophobicContact CG-CZ 4.27Å; L213-F243 WeakPolarHBondContact O-CD2 3.29Å; L213-R246 PolarHBondContact O-NH2 3.08Å
214Q91.9Very high95.1Very high29 Ų2950 Ų5014%0.13627%0.269CS..THydrogen-bonded Turntrans-61.8-28173.373.2-77.918.400112.2Y108 G212 L235 D239 R246Y108-Q214 HydrophobicContact CE1-CB 4.28Å; Y108-Q214 HydrophobicContact CE1-CG 4.2Å; Y108-Q214 HydrophobicContact CE2-CG 4.29Å; G212-Q214 PolarHBondContact O-N 3.28Å; Q214-L235 HydrophobicContact CB-CD2 3.86Å; Q214-D239 HydrophobicContact CB-CB 4Å; Q214-R246 VanDerWaalsContact C-NH2 3.31Å; Q214-R246 PolarHBondContact O-NH2 3.42Å
215H90.6Very high95.4Very high109 Ų10946.6 Ų46.651%0.50525%0.254SS..THydrogen-bonded Turntrans-107.2-17.2177.5-56.2-50.3000113.8G212 L213 I217G212-H215 PolarHBondContact O-N 3.34Å; L213-H215 PolarHBondContact O-N 2.79Å; H215-I217 PolarHBondContact O-N 2.95Å
216F94.8Very high95.5Very high5 Ų545.4 Ų45.42%0.02225%0.247CC..  trans-66.2129.1-176.6-177.6-117.6000112.5L159 V183 F209 G212 L213 P218 F243 R246L159-F216 HydrophobicContact CD1-CE1 4.26Å; L159-F216 HydrophobicContact CD1-CZ 4.26Å; L159-F216 HydrophobicContact CD2-CE1 3.66Å; L159-F216 HydrophobicContact CD2-CZ 4.31Å; V183-F216 HydrophobicContact CB-CD1 4.48Å; V183-F216 HydrophobicContact CB-CE1 4.37Å; V183-F216 HydrophobicContact CB-CE2 4.41Å; V183-F216 HydrophobicContact CB-CZ 4.33Å; V183-F216 HydrophobicContact CG1-CD1 4.11Å; V183-F216 HydrophobicContact CG1-CE1 4.02Å; V183-F216 HydrophobicContact CG1-CZ 4.41Å; V183-F216 HydrophobicContact CG2-CB 4.29Å; V183-F216 HydrophobicContact CG2-CD1 4.16Å; V183-F216 HydrophobicContact CG2-CD2 3.85Å; V183-F216 HydrophobicContact CG2-CE1 4.49Å; V183-F216 HydrophobicContact CG2-CE2 4.2Å; V183-F216 HydrophobicContact CG2-CG 3.83Å; F209-F216 HydrophobicContact CB-CD2 4.2Å; F209-F216 HydrophobicContact CB-CE2 3.79Å; F209-F216 AromaticContact CD1-CE2 3.9Å; F209-F216 HydrophobicContact CD1-CE2 3.9Å; F209-F216 AromaticContact CD2-CE2 3.61Å; F209-F216 HydrophobicContact CD2-CE2 3.61Å; F209-F216 AromaticContact CD2-CZ 3.82Å; F209-F216 HydrophobicContact CD2-CZ 3.82Å; F209-F216 HydrophobicContact CE1-CE2 4.38Å; F209-F216 HydrophobicContact CE2-CE2 4.13Å; F209-F216 HydrophobicContact CE2-CZ 4.13Å; F209-F216 HydrophobicContact CG-CD2 4.33Å; F209-F216 AromaticContact CG-CE2 3.48Å; F209-F216 HydrophobicContact CG-CE2 3.48Å; F209-F216 VanDerWaalsContact CG-CE2 3.48Å; F209-F216 HydrophobicContact CG-CZ 4.18Å; F209-F216 HydrophobicContact CZ-CE2 4.49Å; G212-F216 PolarHBondContact O-N 3.08Å; L213-F216 HydrophobicContact CD2-CB 4.32Å; L213-F216 HydrophobicContact CD2-CD1 4.35Å; L213-F216 PolarHBondContact O-N 3.37Å; F216-P218 HydrophobicContact CD1-CG 3.97Å; F216-P218 HydrophobicContact CE1-CB 4.04Å; F216-P218 HydrophobicContact CE1-CG 3.67Å; F216-F243 HydrophobicContact CD1-CE2 4.11Å; F216-R246 PolarHBondContact O-NE 3.46Å; F216-R246 PolarHBondContact O-NH2 3.29Å
217I93.6Very high95.6Very high99 Ų9942.4 Ų42.451%0.50823%0.229SC..  trans-113.9103.6175.6-54.1175.2000107.8H215H215-I217 PolarHBondContact O-N 2.95Å
218P94.5Very high95.6Very high4 Ų437.8 Ų37.83%0.02621%0.207CC..PPolyproline II helixtrans-59.1132175.6-2132.6000110.3L159 F216 A220 Y223L159-P218 HydrophobicContact CD2-CB 4.4Å; L159-P218 HydrophobicContact CD2-CG 4.47Å; F216-P218 HydrophobicContact CD1-CG 3.97Å; F216-P218 HydrophobicContact CE1-CB 4.04Å; F216-P218 HydrophobicContact CE1-CG 3.67Å; P218-A220 PolarHBondContact O-N 3.27Å; P218-Y223 HydrophobicContact CB-CD2 4.31Å; P218-Y223 HydrophobicContact CB-CE2 3.78Å
219P93.9Very high95.6Very high34 Ų3434.7 Ų34.722%0.22119%0.194CC..PPolyproline II helixtrans-53.6131.2174-30.738.4000111.8F209 R222 Y223 G250F209-P219 HydrophobicContact CZ-CG 4.37Å; P219-R222 HydrophobicContact CB-CB 4.35Å; P219-R222 VanDerWaalsContact CB-CZ 3.46Å; P219-R222 VanDerWaalsContact CG-CZ 3.47Å; P219-R222 WeakPolarHBondContact O-CB 3.43Å; P219-Y223 WeakPolarHBondContact CD-OH 3.25Å; P219-G250 WeakPolarHBondContact O-CA 3.31Å
220A92.8Very high95.3Very high79 Ų7935.6 Ų35.665%0.65320%0.195SC*.THydrogen-bonded Turntrans-61.4142.7-173.100000112.3P218 R222 S249P218-A220 PolarHBondContact O-N 3.27Å; A220-R222 VanDerWaalsContact C-N 3.27Å; A220-R222 PolarHBondContact O-N 3.11Å; A220-S249 VanDerWaalsContact CA-O 3.31Å; A220-S249 WeakPolarHBondContact CA-O 3.4Å
221N94Very high95.3Very high90 Ų9033.4 Ų33.448%0.48118%0.18SC..THydrogen-bonded Turntrans55.635.9173.4-171.432000114.3S249 L251 S253N221-S249 PolarHBondContact N-O 2.78Å; N221-S249 VanDerWaalsContact N-O 3.1Å; N221-L251 WeakPolarHBondContact CA-O 3.25Å; N221-S253 PolarHBondContact ND2-OG 3.13Å; N221-S253 WeakPolarHBondContact OD1-CB 3.43Å; N221-S253 PolarHBondContact OD1-N 2.87Å; N221-S253 PolarHBondContact OD1-OG 3.38Å
222R96.2Very high95.4Very high81 Ų8131.5 Ų31.531%0.30617%0.167SC..  trans-104.2-46.3-174.8-176.9176-72.2-168.81.6113.3Y157 D181 P219 A220 G250Y157-R222 WeakPolarHBondContact CB-O 3.4Å; Y157-R222 HydrophobicContact CD1-CG 4.16Å; Y157-R222 HydrophobicContact CD2-CG 4.24Å; Y157-R222 HydrophobicContact CE1-CG 4.3Å; Y157-R222 HydrophobicContact CE2-CG 4.34Å; Y157-R222 HydrophobicContact CG-CG 4.12Å; D181-R222 WeakPolarHBondContact OD2-CD 3.49Å; D181-R222 IonicContact OD2-CZ 3.47Å; D181-R222 IonicContact OD2-NH1 3.46Å; D181-R222 PolarHBondContact OD2-NH1 3.06Å; P219-R222 HydrophobicContact CB-CB 4.35Å; P219-R222 VanDerWaalsContact CB-CZ 3.46Å; P219-R222 VanDerWaalsContact CG-CZ 3.47Å; P219-R222 WeakPolarHBondContact O-CB 3.43Å; A220-R222 VanDerWaalsContact C-N 3.27Å; A220-R222 PolarHBondContact O-N 3.11Å; R222-G250 PolarHBondContact N-O 3.12Å
223Y98.3Very high95.4Very high0 Ų031.3 Ų31.30%017%0.165CC..BIsolated β-bridgetrans-100.5128.6-160.7-54.6-68.5000112.8Y157 L159 D181 P218 P219 L225 I226 G250 L251 S252Y157-Y223 AromaticContact CD1-CD1 3.77Å; Y157-Y223 HydrophobicContact CD1-CD1 3.77Å; Y157-Y223 AromaticContact CD1-CE1 3.8Å; Y157-Y223 HydrophobicContact CD1-CE1 3.8Å; Y157-Y223 HydrophobicContact CE1-CD1 4.35Å; Y157-Y223 AromaticContact CE1-CE1 3.91Å; Y157-Y223 HydrophobicContact CE1-CE1 3.91Å; L159-Y223 HydrophobicContact CB-CD1 3.68Å; L159-Y223 HydrophobicContact CB-CD2 4.28Å; L159-Y223 HydrophobicContact CB-CE1 3.64Å; L159-Y223 HydrophobicContact CB-CE2 4.24Å; L159-Y223 HydrophobicContact CB-CG 3.99Å; L159-Y223 HydrophobicContact CD1-CE1 4.41Å; L159-Y223 HydrophobicContact CD2-CD2 4.35Å; L159-Y223 HydrophobicContact CD2-CE2 3.95Å; L159-Y223 HydrophobicContact CG-CE1 4.44Å; D181-Y223 HydrophobicContact CB-CE1 3.97Å; D181-Y223 PolarHBondContact OD2-OH 3.45Å; P218-Y223 HydrophobicContact CB-CD2 4.31Å; P218-Y223 HydrophobicContact CB-CE2 3.78Å; P219-Y223 WeakPolarHBondContact CD-OH 3.25Å; Y223-L225 VanDerWaalsContact C-N 3.32Å; Y223-I226 HydrophobicContact CD2-CD1 4.1Å; Y223-I226 HydrophobicContact CD2-CG1 4.08Å; Y223-I226 HydrophobicContact CG-CG1 4.09Å; Y223-G250 PolarHBondContact N-O 3.49Å; Y223-L251 CarbonylContact O-C 3.58Å; Y223-L251 WeakPolarHBondContact O-CA 3.27Å; Y223-S252 WeakPolarHBondContact O-CB 3.36Å; Y223-S252 PolarHBondContact O-N 3.06Å
224D98Very high95.3Very high3 Ų332.1 Ų32.12%0.01617%0.169CC..SBendtrans-77.3-26.8167.9-54-47.4000110.5R154 R156 Y157 F177 S252 G256 A257R154-D224 HydrophobicContact CB-CB 4.35Å; R154-D224 WeakPolarHBondContact CB-OD2 3.37Å; R154-D224 WeakPolarHBondContact O-CB 3.42Å; R156-D224 WeakPolarHBondContact CA-OD2 3.48Å; R156-D224 VanDerWaalsContact CB-OD2 3.24Å; R156-D224 WeakPolarHBondContact CB-OD2 3.07Å; R156-D224 PolarHBondContact N-OD2 3.31Å; Y157-D224 PolarHBondContact N-OD2 2.79Å; Y157-D224 VanDerWaalsContact N-OD2 3.1Å; Y157-D224 PolarHBondContact O-N 3.09Å; F177-D224 HydrophobicContact CE1-CB 4.18Å; D224-S252 PolarHBondContact OD1-OG 2.89Å; D224-G256 CarbonylContact O-C 3.48Å; D224-G256 WeakPolarHBondContact O-CA 3.28Å; D224-A257 PolarHBondContact O-N 2.92Å
225L98.4Very high95.4Very high0 Ų031 Ų310%016%0.164CC..EExtended strand (participates in β ladder)trans-142.1132.9175.8-167.888.2000111.3L144 L153 Y157 A158 L159 L173 F177 Y223 W227 A257 V259L144-L225 HydrophobicContact CD1-CD1 4.1Å; L144-L225 HydrophobicContact CD1-CD2 3.51Å; L144-L225 HydrophobicContact CD1-CG 4.47Å; L153-L225 HydrophobicContact CD1-CD1 3.84Å; Y157-L225 PolarHBondContact O-N 3.02Å; A158-L225 CarbonylContact C-O 3.54Å; A158-L225 WeakPolarHBondContact CA-O 3.37Å; A158-L225 HydrophobicContact CB-CB 4.33Å; L159-L225 PolarHBondContact N-O 3.42Å; L173-L225 HydrophobicContact CD2-CD2 3.69Å; F177-L225 HydrophobicContact CE1-CB 3.83Å; F177-L225 HydrophobicContact CE2-CB 4.14Å; F177-L225 HydrophobicContact CE2-CD2 3.64Å; F177-L225 HydrophobicContact CE2-CG 4.49Å; F177-L225 HydrophobicContact CZ-CB 3.46Å; F177-L225 VanDerWaalsContact CZ-CB 3.46Å; F177-L225 HydrophobicContact CZ-CD2 3.73Å; F177-L225 HydrophobicContact CZ-CG 4.11Å; Y223-L225 VanDerWaalsContact C-N 3.32Å; L225-W227 HydrophobicContact CD2-CE3 4.01Å; L225-A257 CarbonylContact C-O 3.56Å; L225-A257 WeakPolarHBondContact CA-O 3.11Å; L225-A257 HydrophobicContact CD1-CB 4.18Å; L225-V259 HydrophobicContact CD1-CG2 3.86Å
226I98.6Very high95.5Very high0 Ų027.6 Ų27.60%015%0.151CC..EExtended strand (participates in β ladder)trans-112.4119.1166.4-61.7174000107.4L159 Y223 I228 C247 L251 A257 I258 V259L159-I226 HydrophobicContact CB-CG1 4.21Å; L159-I226 HydrophobicContact CB-CG2 4.43Å; L159-I226 HydrophobicContact CD2-CG1 4.25Å; L159-I226 HydrophobicContact CD2-CG2 3.94Å; L159-I226 HydrophobicContact CG-CG2 4.43Å; Y223-I226 HydrophobicContact CD2-CD1 4.1Å; Y223-I226 HydrophobicContact CD2-CG1 4.08Å; Y223-I226 HydrophobicContact CG-CG1 4.09Å; I226-I228 HydrophobicContact CG2-CG1 4.19Å; I226-C247 HydrophobicContact CD1-CB 3.76Å; I226-C247 WeakPolarHBondContact CD1-O 3.47Å; I226-L251 HydrophobicContact CD1-CD2 3.86Å; I226-L251 HydrophobicContact CD1-CG 4.37Å; I226-L251 HydrophobicContact CG1-CD2 4.01Å; I226-A257 PolarHBondContact N-O 3.49Å; I226-I258 HydrophobicContact CB-CG1 4.36Å; I226-I258 CarbonylContact O-C 3.54Å; I226-I258 WeakPolarHBondContact O-CA 3.31Å; I226-V259 PolarHBondContact O-N 3.34Å
227W98.7Very high95.2Very high1 Ų129.4 Ų29.40%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-104.2124179.9-168.6-84.6000110F143 L144 L159 C161 V168 V172 L173 L225 V259 K261F143-W227 HydrophobicContact CD1-CH2 4.5Å; L144-W227 HydrophobicContact CB-CZ3 4.2Å; L144-W227 HydrophobicContact CD1-CZ3 4.19Å; L159-W227 PolarHBondContact O-N 3.45Å; C161-W227 WeakPolarHBondContact CB-O 3.48Å; C161-W227 PolarHBondContact N-O 3.15Å; V168-W227 HydrophobicContact CG1-CD2 4.37Å; V168-W227 HydrophobicContact CG1-CG 4.04Å; V172-W227 HydrophobicContact CG1-CH2 4.47Å; L173-W227 HydrophobicContact CD1-CB 4.24Å; L173-W227 HydrophobicContact CD2-CB 4.26Å; L173-W227 HydrophobicContact CD2-CE3 4.38Å; L173-W227 HydrophobicContact CD2-CG 4.49Å; L225-W227 HydrophobicContact CD2-CE3 4.01Å; W227-V259 HydrophobicContact CD2-CB 4.27Å; W227-V259 HydrophobicContact CD2-CG1 4.11Å; W227-V259 HydrophobicContact CE3-CB 3.66Å; W227-V259 HydrophobicContact CE3-CG1 3.6Å; W227-V259 HydrophobicContact CE3-CG2 4.09Å; W227-V259 HydrophobicContact CH2-CG1 3.9Å; W227-V259 HydrophobicContact CZ2-CG1 4.34Å; W227-V259 HydrophobicContact CZ3-CB 3.97Å; W227-V259 HydrophobicContact CZ3-CG1 3.5Å; W227-V259 HydrophobicContact CZ3-CG2 4.16Å; W227-K261 HydrophobicContact CZ2-CD 4.19Å
228I98.5Very high94.9Very high1 Ų126.9 Ų26.91%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-122112.8179.5-54.8164.2000106.2C161 I226 V231 F243 L244 I258 V259 L260 K261C161-I228 HydrophobicContact CB-CB 4.48Å; C161-I228 HydrophobicContact CB-CG1 4.05Å; I226-I228 HydrophobicContact CG2-CG1 4.19Å; I228-V231 HydrophobicContact CG2-CG1 3.61Å; I228-F243 HydrophobicContact CD1-CD1 4.48Å; I228-F243 HydrophobicContact CD1-CE1 3.64Å; I228-F243 HydrophobicContact CD1-CZ 4.34Å; I228-F243 HydrophobicContact CG1-CE1 4.06Å; I228-F243 HydrophobicContact CG1-CZ 4.48Å; I228-L244 HydrophobicContact CD1-CD2 4.15Å; I228-I258 HydrophobicContact CD1-CG2 3.64Å; I228-V259 PolarHBondContact N-O 3.28Å; I228-L260 CarbonylContact O-C 3.56Å; I228-L260 WeakPolarHBondContact O-CA 3.5Å; I228-K261 PolarHBondContact O-N 3.16Å
229Q96.4Very high94.8Very high10 Ų1027.7 Ų27.75%0.04715%0.152CC..EExtended strand (participates in β ladder)trans-132.5125.3-178.8177.8169.5-14.700111.8D136 V168 V231 K261D136-Q229 PolarHBondContact OD1-NE2 2.86Å; D136-Q229 PolarHBondContact OD2-NE2 3.21Å; V168-Q229 VanDerWaalsContact CG2-OE1 3.26Å; Q229-V231 PolarHBondContact O-N 2.79Å; Q229-V231 VanDerWaalsContact O-N 3.14Å; Q229-K261 VanDerWaalsContact CA-O 3.25Å; Q229-K261 WeakPolarHBondContact CA-O 3Å; Q229-K261 HydrophobicContact CB-CB 4.3Å; Q229-K261 HydrophobicContact CG-CB 4.18Å; Q229-K261 HydrophobicContact CG-CD 4.32Å; Q229-K261 HydrophobicContact CG-CG 4.37Å
230W93.4Very high94.8Very high70 Ų7026.1 Ų26.127%0.26514%0.142SC..SBendtrans52.834.4175.2-60.5-13.8000114.8L126 K261 F306L126-W230 HydrophobicContact CD2-CE3 4.14Å; L126-W230 HydrophobicContact CD2-CH2 3.53Å; L126-W230 HydrophobicContact CD2-CZ3 3.1Å; L126-W230 HydrophobicContact CG-CZ3 4.48Å; W230-K261 PolarHBondContact N-O 3.17Å; W230-F306 HydrophobicContact CZ2-CE2 4.4Å; W230-F306 HydrophobicContact CZ2-CZ 4.41Å
231V96.1Very high94.9Very high23 Ų2324.2 Ų24.214%0.13912%0.119CC..  trans-137-10.7-179.971.10000111.7L213 I228 Q229 G233 Q234L213-V231 HydrophobicContact CD1-CB 4.34Å; L213-V231 HydrophobicContact CD1-CG1 3.59Å; L213-V231 HydrophobicContact CD1-CG2 3.8Å; I228-V231 HydrophobicContact CG2-CG1 3.61Å; Q229-V231 PolarHBondContact O-N 2.79Å; Q229-V231 VanDerWaalsContact O-N 3.14Å; V231-G233 PolarHBondContact O-N 3.04Å; V231-Q234 WeakPolarHBondContact O-CB 3.45Å; V231-Q234 PolarHBondContact O-N 2.97Å; V231-Q234 VanDerWaalsContact O-N 3.11Å
232S95.3Very high94.8Very high3 Ų320.3 Ų20.32%0.02110%0.098CC..G310 helixtrans-71.6-25.3179.678.60000111.9Q234 L235 D262 R281S232-Q234 PolarHBondContact O-N 3.09Å; S232-L235 PolarHBondContact O-N 3.22Å; S232-D262 WeakPolarHBondContact CB-OD2 3.5Å; S232-D262 PolarHBondContact N-OD2 3.21Å; S232-D262 VanDerWaalsContact N-OD2 3.11Å; S232-D262 PolarHBondContact OG-OD2 3.34Å; S232-R281 PolarHBondContact O-NH1 3.17Å
233G93.7Very high94.8Very high6 Ų616.4 Ų16.46%0.0628%0.083CC..G310 helixtrans-63.4-24.4170.600000113.7V231 L235 D262 V279V231-G233 PolarHBondContact O-N 3.04Å; G233-L235 PolarHBondContact O-N 3.34Å; G233-D262 PolarHBondContact N-OD2 3.15Å; G233-V279 WeakPolarHBondContact CA-O 3.28Å; G233-V279 PolarHBondContact O-N 2.81Å
234Q94.6Very high94.7Very high28 Ų2816.5 Ų16.513%0.1318%0.084CC..G310 helixtrans-78-5.1178.8-62.7-65.8-11.900113.3Y108 A111 V231 S232 D276Y108-Q234 WeakPolarHBondContact CE1-O 3.37Å; A111-Q234 VanDerWaalsContact CB-OE1 3.27Å; V231-Q234 WeakPolarHBondContact O-CB 3.45Å; V231-Q234 PolarHBondContact O-N 2.97Å; V231-Q234 VanDerWaalsContact O-N 3.11Å; S232-Q234 PolarHBondContact O-N 3.09Å; Q234-D276 PolarHBondContact NE2-O 2.76Å; Q234-D276 PolarHBondContact OE1-O 2.78Å
235L93.7Very high94.5Very high6 Ų617.1 Ų17.13%0.0319%0.087CC..SBendtrans-104.6141.8178.8-65.7177.3000110.9Y108 L213 Q214 S232 G233 D239 L240 F243 R281Y108-L235 HydrophobicContact CE1-CD2 4.03Å; L213-L235 HydrophobicContact CB-CD1 4.01Å; L213-L235 HydrophobicContact CB-CD2 4.05Å; L213-L235 HydrophobicContact CB-CG 4.41Å; Q214-L235 HydrophobicContact CB-CD2 3.86Å; S232-L235 PolarHBondContact O-N 3.22Å; G233-L235 PolarHBondContact O-N 3.34Å; L235-D239 HydrophobicContact CB-CB 4.42Å; L235-D239 HydrophobicContact CD2-CB 4.23Å; L235-L240 HydrophobicContact CB-CB 4.02Å; L235-L240 HydrophobicContact CD1-CB 4.39Å; L235-L240 HydrophobicContact CD1-CD1 4.14Å; L235-F243 HydrophobicContact CD1-CB 4.01Å; L235-F243 HydrophobicContact CD1-CD1 3.77Å; L235-F243 HydrophobicContact CD1-CG 4.08Å; L235-R281 PolarHBondContact O-NH2 3.47Å
236T91Very high94.4Very high37 Ų3718 Ų1823%0.2279%0.09CC..  trans-60.4161.4164.872.60000110.7A104 Y108 N238 D239 L240A104-T236 HydrophobicContact CB-CG2 3.81Å; Y108-T236 HydrophobicContact CE2-CG2 4.14Å; Y108-T236 PolarHBondContact OH-N 2.76Å; Y108-T236 VanDerWaalsContact OH-N 3.15Å; T236-N238 PolarHBondContact O-N 2.83Å; T236-D239 PolarHBondContact O-N 2.66Å; T236-D239 WeakPolarHBondContact OG1-CB 3.43Å; T236-D239 VanDerWaalsContact OG1-CG 3.22Å; T236-D239 PolarHBondContact OG1-N 3.47Å; T236-D239 VanDerWaalsContact OG1-N 3.09Å; T236-D239 PolarHBondContact OG1-OD2 2.88Å; T236-L240 WeakPolarHBondContact O-CB 3.37Å; T236-L240 PolarHBondContact O-N 3.38Å
237D89Confident94.3Very high43 Ų4318 Ų1823%0.239%0.09CC..Hα-helixtrans-58.5-38.3177.8-76.3-4.5000112.6K241 R281 Y285 L289D237-K241 WeakPolarHBondContact O-CE 3.47Å; D237-K241 VanDerWaalsContact O-CG 3.31Å; D237-K241 WeakPolarHBondContact O-CG 3.39Å; D237-K241 PolarHBondContact O-N 2.96Å; D237-K241 VanDerWaalsContact O-N 3.17Å; D237-R281 IonicContact OD1-CZ 2.76Å; D237-R281 VanDerWaalsContact OD1-CZ 3.25Å; D237-R281 IonicContact OD1-NE 2.75Å; D237-R281 PolarHBondContact OD1-NE 2.82Å; D237-R281 IonicContact OD1-NH2 2.88Å; D237-R281 PolarHBondContact OD1-NH2 2.8Å; D237-Y285 WeakPolarHBondContact OD2-CE1 3.49Å; D237-Y285 VanDerWaalsContact OD2-CZ 3.26Å; D237-Y285 PolarHBondContact OD2-OH 2.75Å; D237-L289 HydrophobicContact CB-CD1 4.48Å; D237-L289 HydrophobicContact CB-CD2 4.16Å
238N87.8Confident94.1Very high45 Ų4521 Ų2124%0.24110%0.103CC..Hα-helixtrans-69.3-45.4177.8-177.364.2000110.8M101 T236 K241 Q242M101-N238 WeakPolarHBondContact CE-ND2 3.29Å; T236-N238 PolarHBondContact O-N 2.83Å; N238-K241 WeakPolarHBondContact O-CB 3.32Å; N238-K241 PolarHBondContact O-N 3.22Å; N238-Q242 WeakPolarHBondContact O-CG 3.4Å; N238-Q242 PolarHBondContact O-N 2.87Å
239D92.3Very high93.8Very high22 Ų2223.4 Ų23.412%0.11812%0.12CC..Hα-helixtrans-70-34.6-178.7-64.6-37.9000112.5Y108 Q214 L235 T236 K241 Q242 F243Y108-D239 VanDerWaalsContact OH-CB 3.28Å; Y108-D239 WeakPolarHBondContact OH-CB 3.5Å; Y108-D239 VanDerWaalsContact OH-CG 3.32Å; Y108-D239 PolarHBondContact OH-OD2 3.09Å; Q214-D239 HydrophobicContact CB-CB 4Å; L235-D239 HydrophobicContact CB-CB 4.42Å; L235-D239 HydrophobicContact CD2-CB 4.23Å; T236-D239 PolarHBondContact O-N 2.66Å; T236-D239 WeakPolarHBondContact OG1-CB 3.43Å; T236-D239 VanDerWaalsContact OG1-CG 3.22Å; T236-D239 PolarHBondContact OG1-N 3.47Å; T236-D239 VanDerWaalsContact OG1-N 3.09Å; T236-D239 PolarHBondContact OG1-OD2 2.88Å; D239-K241 VanDerWaalsContact C-N 3.34Å; D239-K241 PolarHBondContact O-N 3.09Å; D239-Q242 PolarHBondContact O-N 2.91Å; D239-F243 WeakPolarHBondContact O-CB 3.42Å; D239-F243 PolarHBondContact O-N 3.1Å
240L94.9Very high93.8Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-59.5-46.3170.5179.157.4000110.5L235 T236 F243 L244 L286 L289L235-L240 HydrophobicContact CB-CB 4.02Å; L235-L240 HydrophobicContact CD1-CB 4.39Å; L235-L240 HydrophobicContact CD1-CD1 4.14Å; T236-L240 WeakPolarHBondContact O-CB 3.37Å; T236-L240 PolarHBondContact O-N 3.38Å; L240-F243 PolarHBondContact O-N 2.71Å; L240-L244 HydrophobicContact CD1-CD1 4.15Å; L240-L244 HydrophobicContact CD1-CG 4.2Å; L240-L244 HydrophobicContact CG-CD1 4.17Å; L240-L244 WeakPolarHBondContact O-CB 3.1Å; L240-L244 VanDerWaalsContact O-CG 3.22Å; L240-L244 WeakPolarHBondContact O-CG 3.49Å; L240-L244 PolarHBondContact O-N 2.9Å; L240-L286 HydrophobicContact CD2-CD2 4.34Å; L240-L289 HydrophobicContact CD2-CD1 4.02Å
241K93.8Very high93.9Very high39 Ų3921.1 Ų21.117%0.1711%0.113CC..Hα-helixtrans-61.7-46.7175.7-74.6-176.1-57.4-164.90112D237 N238 D239 F243 L244 L245 L289 E292 V293D237-K241 WeakPolarHBondContact O-CE 3.47Å; D237-K241 VanDerWaalsContact O-CG 3.31Å; D237-K241 WeakPolarHBondContact O-CG 3.39Å; D237-K241 PolarHBondContact O-N 2.96Å; D237-K241 VanDerWaalsContact O-N 3.17Å; N238-K241 WeakPolarHBondContact O-CB 3.32Å; N238-K241 PolarHBondContact O-N 3.22Å; D239-K241 VanDerWaalsContact C-N 3.34Å; D239-K241 PolarHBondContact O-N 3.09Å; K241-F243 PolarHBondContact O-N 2.83Å; K241-L244 PolarHBondContact O-N 2.85Å; K241-L245 WeakPolarHBondContact O-CG 3.45Å; K241-L245 PolarHBondContact O-N 3.07Å; K241-L289 HydrophobicContact CD-CD2 4.02Å; K241-L289 HydrophobicContact CG-CB 4.37Å; K241-L289 HydrophobicContact CG-CD2 4.32Å; K241-E292 HydrophobicContact CD-CB 4.03Å; K241-E292 VanDerWaalsContact CD-OE2 3.32Å; K241-E292 WeakPolarHBondContact CD-OE2 3.42Å; K241-E292 IonicContact NZ-OE2 2.64Å; K241-E292 PolarHBondContact NZ-OE2 3.09Å; K241-V293 HydrophobicContact CB-CG1 3.59Å; K241-V293 HydrophobicContact CD-CG1 4.31Å; K241-V293 HydrophobicContact CG-CG1 3.82Å
242Q92.4Very high93.8Very high8 Ų820.7 Ų20.74%0.03711%0.111CC..Hα-helixtrans-63.7-42.4178.2-63.8-51.5-38.800111.7N238 D239 L244 L245 R246N238-Q242 WeakPolarHBondContact O-CG 3.4Å; N238-Q242 PolarHBondContact O-N 2.87Å; D239-Q242 PolarHBondContact O-N 2.91Å; Q242-L244 PolarHBondContact O-N 3.06Å; Q242-L245 WeakPolarHBondContact O-CB 3.43Å; Q242-L245 PolarHBondContact O-N 3.12Å; Q242-R246 WeakPolarHBondContact O-CG 3.49Å; Q242-R246 PolarHBondContact O-N 2.9Å
243F96Very high93.6Very high0 Ų024.9 Ų24.90%014%0.141CC..Hα-helixtrans-60.6-43.9176.8174.5-121.2000111.6C161 L213 F216 I228 L235 D239 L240 K241 L245 R246 C247C161-F243 HydrophobicContact CB-CZ 4.37Å; L213-F243 HydrophobicContact CB-CD1 4.45Å; L213-F243 HydrophobicContact CB-CD2 4.21Å; L213-F243 HydrophobicContact CB-CE1 4.42Å; L213-F243 HydrophobicContact CB-CE2 4.21Å; L213-F243 HydrophobicContact CB-CG 4.35Å; L213-F243 HydrophobicContact CB-CZ 4.3Å; L213-F243 HydrophobicContact CD1-CE1 3.88Å; L213-F243 HydrophobicContact CD1-CZ 3.96Å; L213-F243 HydrophobicContact CD2-CE2 3.97Å; L213-F243 HydrophobicContact CD2-CZ 3.86Å; L213-F243 HydrophobicContact CG-CE2 4.5Å; L213-F243 HydrophobicContact CG-CZ 4.27Å; L213-F243 WeakPolarHBondContact O-CD2 3.29Å; F216-F243 HydrophobicContact CD1-CE2 4.11Å; I228-F243 HydrophobicContact CD1-CD1 4.48Å; I228-F243 HydrophobicContact CD1-CE1 3.64Å; I228-F243 HydrophobicContact CD1-CZ 4.34Å; I228-F243 HydrophobicContact CG1-CE1 4.06Å; I228-F243 HydrophobicContact CG1-CZ 4.48Å; L235-F243 HydrophobicContact CD1-CB 4.01Å; L235-F243 HydrophobicContact CD1-CD1 3.77Å; L235-F243 HydrophobicContact CD1-CG 4.08Å; D239-F243 WeakPolarHBondContact O-CB 3.42Å; D239-F243 PolarHBondContact O-N 3.1Å; L240-F243 PolarHBondContact O-N 2.71Å; K241-F243 PolarHBondContact O-N 2.83Å; F243-L245 PolarHBondContact O-N 3.01Å; F243-R246 PolarHBondContact O-N 3.15Å; F243-C247 WeakPolarHBondContact CE2-SG 3.35Å; F243-C247 WeakPolarHBondContact CZ-SG 3.08Å; F243-C247 PolarHBondContact O-N 3.48Å; F243-C247 PolarHBondContact O-SG 3.29Å
244L96.5Very high93.3Very high2 Ų229.1 Ų29.11%0.0116%0.162CC..Hα-helixtrans-63.6-38175.5-71.4172.5000112.7I228 L240 K241 Q242 R246 C247 K248 I258 F290 V293 L295I228-L244 HydrophobicContact CD1-CD2 4.15Å; L240-L244 HydrophobicContact CD1-CD1 4.15Å; L240-L244 HydrophobicContact CD1-CG 4.2Å; L240-L244 HydrophobicContact CG-CD1 4.17Å; L240-L244 WeakPolarHBondContact O-CB 3.1Å; L240-L244 VanDerWaalsContact O-CG 3.22Å; L240-L244 WeakPolarHBondContact O-CG 3.49Å; L240-L244 PolarHBondContact O-N 2.9Å; K241-L244 PolarHBondContact O-N 2.85Å; Q242-L244 PolarHBondContact O-N 3.06Å; L244-R246 VanDerWaalsContact C-N 3.35Å; L244-C247 WeakPolarHBondContact O-CB 3.43Å; L244-C247 PolarHBondContact O-N 2.95Å; L244-K248 WeakPolarHBondContact O-CG 3.44Å; L244-K248 PolarHBondContact O-N 2.91Å; L244-I258 HydrophobicContact CD2-CD1 4.48Å; L244-I258 HydrophobicContact CD2-CG2 4.21Å; L244-F290 HydrophobicContact CD1-CD1 3.7Å; L244-F290 HydrophobicContact CD1-CE1 3.82Å; L244-V293 HydrophobicContact CB-CG2 4.18Å; L244-V293 HydrophobicContact CD1-CG2 4.32Å; L244-L295 HydrophobicContact CB-CD1 3.93Å; L244-L295 HydrophobicContact CD1-CD1 4.24Å; L244-L295 HydrophobicContact CD2-CD1 4.09Å; L244-L295 HydrophobicContact CG-CD1 4.31Å
245L94.3Very high92.9Very high16 Ų1629.7 Ų29.78%0.08418%0.175CC..Hα-helixtrans-63.6-39.6173.1-72171.4000112.3A8 K241 Q242 F243 K248 S249 V293A8-L245 HydrophobicContact CB-CD1 3.39Å; K241-L245 WeakPolarHBondContact O-CG 3.45Å; K241-L245 PolarHBondContact O-N 3.07Å; Q242-L245 WeakPolarHBondContact O-CB 3.43Å; Q242-L245 PolarHBondContact O-N 3.12Å; F243-L245 PolarHBondContact O-N 3.01Å; L245-K248 HydrophobicContact CD2-CD 4.21Å; L245-K248 WeakPolarHBondContact O-CB 3.25Å; L245-K248 PolarHBondContact O-N 3.2Å; L245-S249 PolarHBondContact O-N 3.49Å; L245-S249 PolarHBondContact O-OG 2.83Å; L245-V293 HydrophobicContact CD1-CG1 4.12Å; L245-V293 HydrophobicContact CD2-CB 3.81Å; L245-V293 HydrophobicContact CD2-CG1 4.14Å; L245-V293 HydrophobicContact CG-CB 3.98Å; L245-V293 HydrophobicContact CG-CG1 3.83Å
246R95.4Very high92.9Very high17 Ų1730.6 Ų30.66%0.06419%0.185CC..Hα-helixtrans-66.9-39.9173.7-66.2-170.1-61.5-93.76.8111.5L213 Q214 F216 Q242 F243 L244 K248 S249 G250L213-R246 PolarHBondContact O-NH2 3.08Å; Q214-R246 VanDerWaalsContact C-NH2 3.31Å; Q214-R246 PolarHBondContact O-NH2 3.42Å; F216-R246 PolarHBondContact O-NE 3.46Å; F216-R246 PolarHBondContact O-NH2 3.29Å; Q242-R246 WeakPolarHBondContact O-CG 3.49Å; Q242-R246 PolarHBondContact O-N 2.9Å; F243-R246 PolarHBondContact O-N 3.15Å; L244-R246 VanDerWaalsContact C-N 3.35Å; R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 3.37Å; R246-S249 WeakPolarHBondContact O-CB 3.42Å; R246-S249 PolarHBondContact O-N 3.4Å; R246-G250 PolarHBondContact O-N 3.29Å
247C96.5Very high93.1Very high0 Ų029.4 Ų29.40%018%0.179CC..Hα-helixtrans-58.2-42.4173.1-69.80000112.1I226 F243 L244 S249 G250 L251 I258I226-C247 HydrophobicContact CD1-CB 3.76Å; I226-C247 WeakPolarHBondContact CD1-O 3.47Å; F243-C247 WeakPolarHBondContact CE2-SG 3.35Å; F243-C247 WeakPolarHBondContact CZ-SG 3.08Å; F243-C247 PolarHBondContact O-N 3.48Å; F243-C247 PolarHBondContact O-SG 3.29Å; L244-C247 WeakPolarHBondContact O-CB 3.43Å; L244-C247 PolarHBondContact O-N 2.95Å; C247-S249 PolarHBondContact O-N 3.43Å; C247-G250 WeakPolarHBondContact O-CA 3.35Å; C247-G250 PolarHBondContact O-N 3.45Å; C247-L251 WeakPolarHBondContact O-CG 3.43Å; C247-L251 PolarHBondContact O-N 2.92Å; C247-L251 VanDerWaalsContact O-N 3.08Å; C247-I258 HydrophobicContact CB-CD1 3.58Å; C247-I258 HydrophobicContact CB-CG1 4.18Å
248K94.5Very high93.5Very high65 Ų6529.2 Ų29.228%0.28318%0.178SC..Hα-helixtrans-54.6-40.3173.7-71.4171.274.3177.40112L244 L245 R246 G250 L251 V293 E294 L295L244-K248 WeakPolarHBondContact O-CG 3.44Å; L244-K248 PolarHBondContact O-N 2.91Å; L245-K248 HydrophobicContact CD2-CD 4.21Å; L245-K248 WeakPolarHBondContact O-CB 3.25Å; L245-K248 PolarHBondContact O-N 3.2Å; R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 3.37Å; K248-G250 VanDerWaalsContact C-N 3.32Å; K248-L251 PolarHBondContact O-N 3.28Å; K248-V293 PolarHBondContact NZ-O 2.85Å; K248-E294 IonicContact NZ-OE2 3.81Å; K248-L295 HydrophobicContact CD-CD2 3.93Å; K248-L295 HydrophobicContact CD-CG 4.18Å; K248-L295 HydrophobicContact CG-CD2 3.84Å; K248-L295 HydrophobicContact CG-CG 4.45Å
249S92Very high94Very high51 Ų5127.5 Ų27.536%0.35717%0.169SC..Hα-helixtrans-71.3-29.3178-53.80000112.5A220 N221 L245 R246 C247A220-S249 VanDerWaalsContact CA-O 3.31Å; A220-S249 WeakPolarHBondContact CA-O 3.4Å; N221-S249 PolarHBondContact N-O 2.78Å; N221-S249 VanDerWaalsContact N-O 3.1Å; L245-S249 PolarHBondContact O-N 3.49Å; L245-S249 PolarHBondContact O-OG 2.83Å; R246-S249 WeakPolarHBondContact O-CB 3.42Å; R246-S249 PolarHBondContact O-N 3.4Å; C247-S249 PolarHBondContact O-N 3.43Å
250G95.6Very high94.3Very high0 Ų028.6 Ų28.60%018%0.175CC..Hα-helixtrans-75.3-21.1175.800000115P219 R222 Y223 R246 C247 K248P219-G250 WeakPolarHBondContact O-CA 3.31Å; R222-G250 PolarHBondContact N-O 3.12Å; Y223-G250 PolarHBondContact N-O 3.49Å; R246-G250 PolarHBondContact O-N 3.29Å; C247-G250 WeakPolarHBondContact O-CA 3.35Å; C247-G250 PolarHBondContact O-N 3.45Å; K248-G250 VanDerWaalsContact C-N 3.32Å
251L96.6Very high94.3Very high33 Ų3330.2 Ų30.217%0.17318%0.182CC..BIsolated β-bridgetrans-65.6143.7179.5-68.2178.7000112N221 Y223 I226 C247 K248 I258N221-L251 WeakPolarHBondContact CA-O 3.25Å; Y223-L251 CarbonylContact O-C 3.58Å; Y223-L251 WeakPolarHBondContact O-CA 3.27Å; I226-L251 HydrophobicContact CD1-CD2 3.86Å; I226-L251 HydrophobicContact CD1-CG 4.37Å; I226-L251 HydrophobicContact CG1-CD2 4.01Å; C247-L251 WeakPolarHBondContact O-CG 3.43Å; C247-L251 PolarHBondContact O-N 2.92Å; C247-L251 VanDerWaalsContact O-N 3.08Å; K248-L251 PolarHBondContact O-N 3.28Å; L251-I258 HydrophobicContact CD1-CD1 4.43Å; L251-I258 HydrophobicContact CD1-CG1 4.21Å; L251-I258 HydrophobicContact CD2-CG1 4.28Å; L251-I258 HydrophobicContact CG-CG1 4.49Å
252S93.8Very high94.3Very high13 Ų1330 Ų309%0.09118%0.183CC..  trans-58.3133.5173.7-179.90000111.3Y223 D224 N254 G255Y223-S252 WeakPolarHBondContact O-CB 3.36Å; Y223-S252 PolarHBondContact O-N 3.06Å; D224-S252 PolarHBondContact OD1-OG 2.89Å; S252-N254 PolarHBondContact O-N 2.83Å; S252-N254 VanDerWaalsContact O-N 3.1Å; S252-N254 PolarHBondContact OG-N 2.55Å; S252-G255 CarbonylContact O-C 3.42Å; S252-G255 WeakPolarHBondContact O-CA 3.36Å; S252-G255 PolarHBondContact O-N 3.41Å
253S90.4Very high94.1Very high92 Ų9233.9 Ų33.964%0.64320%0.203SC*.THydrogen-bonded Turntrans-59.2-17.1173.349.30000113.3N221 G255N221-S253 PolarHBondContact ND2-OG 3.13Å; N221-S253 WeakPolarHBondContact OD1-CB 3.43Å; N221-S253 PolarHBondContact OD1-N 2.87Å; N221-S253 PolarHBondContact OD1-OG 3.38Å; S253-G255 PolarHBondContact O-N 2.91Å
254N87.5Confident93.7Very high95 Ų9537.7 Ų37.751%0.50823%0.227SC..THydrogen-bonded Turntrans-86.39.8174.4-61-84.7000113R154 S252R154-N254 VanDerWaalsContact CZ-CB 3.48Å; R154-N254 PolarHBondContact NH1-ND2 3.37Å; R154-N254 PolarHBondContact NH1-OD1 2.83Å; R154-N254 PolarHBondContact NH2-OD1 3.35Å; S252-N254 PolarHBondContact O-N 2.83Å; S252-N254 VanDerWaalsContact O-N 3.1Å; S252-N254 PolarHBondContact OG-N 2.55Å
255G86.6Confident93.1Very high40 Ų4038 Ų3841%0.41223%0.229SC..  trans96.1138.5-171.500000111.1S252 S253S252-G255 CarbonylContact O-C 3.42Å; S252-G255 WeakPolarHBondContact O-CA 3.36Å; S252-G255 PolarHBondContact O-N 3.41Å; S253-G255 PolarHBondContact O-N 2.91Å
256G93.3Very high92.5Very high24 Ų2443.4 Ų43.425%0.24727%0.265CS..  trans-155.1169.1174.700000110.3D224D224-G256 CarbonylContact O-C 3.48Å; D224-G256 WeakPolarHBondContact O-CA 3.28Å
257A96.3Very high91.6Very high12 Ų1245.6 Ų45.610%0.09928%0.281CS..EExtended strand (participates in β ladder)trans-130.8146.7179.200000112.2V147 L151 L153 D224 L225 I226V147-A257 HydrophobicContact CG1-CB 4.38Å; L151-A257 HydrophobicContact CD1-CB 3.7Å; L153-A257 HydrophobicContact CD1-CB 3.84Å; D224-A257 PolarHBondContact O-N 2.92Å; L225-A257 CarbonylContact C-O 3.56Å; L225-A257 WeakPolarHBondContact CA-O 3.11Å; L225-A257 HydrophobicContact CD1-CB 4.18Å; I226-A257 PolarHBondContact N-O 3.49Å
258I97.8Very high90.8Very high40 Ų4052.7 Ų52.721%0.20531%0.314CS..EExtended strand (participates in β ladder)trans-100.7125166.5-59.5166.3000106.5I226 I228 L244 C247 L251 L295I226-I258 HydrophobicContact CB-CG1 4.36Å; I226-I258 CarbonylContact O-C 3.54Å; I226-I258 WeakPolarHBondContact O-CA 3.31Å; I228-I258 HydrophobicContact CD1-CG2 3.64Å; L244-I258 HydrophobicContact CD2-CD1 4.48Å; L244-I258 HydrophobicContact CD2-CG2 4.21Å; C247-I258 HydrophobicContact CB-CD1 3.58Å; C247-I258 HydrophobicContact CB-CG1 4.18Å; L251-I258 HydrophobicContact CD1-CD1 4.43Å; L251-I258 HydrophobicContact CD1-CG1 4.21Å; L251-I258 HydrophobicContact CD2-CG1 4.28Å; L251-I258 HydrophobicContact CG-CG1 4.49Å; I258-L295 HydrophobicContact CD1-CD1 4.17Å; I258-L295 HydrophobicContact CD1-CD2 4.37Å
259V98Very high89.9Confident9 Ų957.8 Ų57.86%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-108.1122.6171.5176.30000107.8F143 L225 I226 W227 I228F143-V259 HydrophobicContact CD1-CG1 4.23Å; F143-V259 HydrophobicContact CE1-CG1 3.81Å; F143-V259 HydrophobicContact CE1-CG2 4.27Å; L225-V259 HydrophobicContact CD1-CG2 3.86Å; I226-V259 PolarHBondContact O-N 3.34Å; W227-V259 HydrophobicContact CD2-CB 4.27Å; W227-V259 HydrophobicContact CD2-CG1 4.11Å; W227-V259 HydrophobicContact CE3-CB 3.66Å; W227-V259 HydrophobicContact CE3-CG1 3.6Å; W227-V259 HydrophobicContact CE3-CG2 4.09Å; W227-V259 HydrophobicContact CH2-CG1 3.9Å; W227-V259 HydrophobicContact CZ2-CG1 4.34Å; W227-V259 HydrophobicContact CZ3-CB 3.97Å; W227-V259 HydrophobicContact CZ3-CG1 3.5Å; W227-V259 HydrophobicContact CZ3-CG2 4.16Å; I228-V259 PolarHBondContact N-O 3.28Å
260L97.3Very high89.6Confident44 Ų4457.6 Ų57.623%0.2333%0.333CS..EExtended strand (participates in β ladder)trans-113.4114.9173.4-172.4153000108.2I228 D262 F290I228-L260 CarbonylContact O-C 3.56Å; I228-L260 WeakPolarHBondContact O-CA 3.5Å; L260-D262 HydrophobicContact CD2-CB 3.85Å; L260-F290 HydrophobicContact CD1-CE1 4.11Å; L260-F290 HydrophobicContact CD1-CZ 3.97Å
261K96.2Very high88.9Confident34 Ų3461.4 Ų61.415%0.14835%0.353CS..EExtended strand (participates in β ladder)trans-115.8102.5176.6-175179.7-177.2-172.50108.7D136 S140 W227 I228 Q229 W230D136-K261 PolarHBondContact O-NZ 2.98Å; D136-K261 VanDerWaalsContact O-NZ 3.14Å; D136-K261 IonicContact OD1-NZ 2.67Å; D136-K261 PolarHBondContact OD1-NZ 3.37Å; S140-K261 PolarHBondContact OG-NZ 2.93Å; W227-K261 HydrophobicContact CZ2-CD 4.19Å; I228-K261 PolarHBondContact O-N 3.16Å; Q229-K261 VanDerWaalsContact CA-O 3.25Å; Q229-K261 WeakPolarHBondContact CA-O 3Å; Q229-K261 HydrophobicContact CB-CB 4.3Å; Q229-K261 HydrophobicContact CG-CB 4.18Å; Q229-K261 HydrophobicContact CG-CD 4.32Å; Q229-K261 HydrophobicContact CG-CG 4.37Å; W230-K261 PolarHBondContact N-O 3.17Å
262D92.2Very high88.2Confident36 Ų3663.9 Ų63.919%0.19336%0.362CS..  trans-136.9167.8-178.1-136.9-37.8000112.9S232 G233 L260S232-D262 WeakPolarHBondContact CB-OD2 3.5Å; S232-D262 PolarHBondContact N-OD2 3.21Å; S232-D262 VanDerWaalsContact N-OD2 3.11Å; S232-D262 PolarHBondContact OG-OD2 3.34Å; G233-D262 PolarHBondContact N-OD2 3.15Å; L260-D262 HydrophobicContact CD2-CB 3.85Å
263N89.6Confident87.6Confident88 Ų8866.8 Ų66.847%0.47138%0.377SS..  trans-66139.6167.7-70.2-29.1000109.2T280N263-T280 HydrophobicContact CB-CG2 4.03Å
264V87.4Confident87.2Confident81 Ų8170.3 Ų70.349%0.49138%0.383SS..  trans-120.6120.6-178.1-178.40000109.1R281 R283V264-R281 WeakPolarHBondContact CA-O 3.34Å; V264-R283 HydrophobicContact CG1-CB 3.95Å; V264-R283 VanDerWaalsContact CG1-N 3.3Å
265S83.6Confident87Confident7 Ų771.3 Ų71.35%0.04939%0.388CS..BIsolated β-bridgetrans-68.3141.6-180174.70000111.2T267 I271 R281S265-T267 PolarHBondContact O-N 2.99Å; S265-T267 PolarHBondContact OG-N 3.26Å; S265-T267 PolarHBondContact OG-O 3.42Å; S265-T267 PolarHBondContact OG-OG1 2.96Å; S265-I271 VanDerWaalsContact OG-CD1 3.25Å; S265-I271 WeakPolarHBondContact OG-CD1 3.42Å; S265-R281 PolarHBondContact N-O 3.25Å
266P82Confident86.9Confident130 Ų13070.6 Ų70.684%0.84438%0.375SS*.SBendtrans-74.5-11.9169.832.6-35.2000113.1
267T75.9Confident86.7Confident64 Ų6472.1 Ų72.139%0.39338%0.375SS..SBendtrans-101.6143.9-177.161.90000112S265 K269 S282S265-T267 PolarHBondContact O-N 2.99Å; S265-T267 PolarHBondContact OG-N 3.26Å; S265-T267 PolarHBondContact OG-O 3.42Å; S265-T267 PolarHBondContact OG-OG1 2.96Å; T267-K269 VanDerWaalsContact C-N 3.28Å; T267-K269 PolarHBondContact O-N 3.03Å; T267-K269 PolarHBondContact OG1-O 3.34Å; T267-S282 WeakPolarHBondContact O-CB 3.16Å
268E79.6Confident86.4Confident149 Ų14972.2 Ų72.270%0.69638%0.375SS*.SBendtrans-57.7-41.8178.3-172.6-177.8179.500112.5S282E268-S282 PolarHBondContact O-OG 2.94Å
269K77.3Confident86Confident172 Ų17271.9 Ų71.975%0.74838%0.375SS*.SBendtrans-73.9136.4176-67.4-174.3178.9-177.70110.7T267T267-K269 VanDerWaalsContact C-N 3.28Å; T267-K269 PolarHBondContact O-N 3.03Å; T267-K269 PolarHBondContact OG1-O 3.34Å
270P84.7Confident85.5Confident46 Ų4673.1 Ų73.130%0.29938%0.383SS..  trans-57.6144.4170.5-21.332.3000111.7V279 T280 R281 Y285P270-V279 HydrophobicContact CB-CG1 3.45Å; P270-V279 VanDerWaalsContact CB-CG1 3.45Å; P270-T280 WeakPolarHBondContact CA-O 3.31Å; P270-R281 HydrophobicContact CB-CG 4.35Å; P270-R281 HydrophobicContact CG-CG 4.49Å; P270-Y285 HydrophobicContact CG-CD1 4.46Å; P270-Y285 HydrophobicContact CG-CD2 3.92Å; P270-Y285 HydrophobicContact CG-CE1 4.23Å; P270-Y285 HydrophobicContact CG-CE2 3.69Å; P270-Y285 HydrophobicContact CG-CG 4.33Å
271I80.1Confident85.2Confident81 Ų8171.2 Ų71.242%0.41537%0.372SS..EExtended strand (participates in β ladder)trans-104.6122.2176.6-58.1174.6000107.1S265 V279 T280S265-I271 VanDerWaalsContact OG-CD1 3.25Å; S265-I271 WeakPolarHBondContact OG-CD1 3.42Å; I271-V279 CarbonylContact O-C 3.6Å; I271-V279 WeakPolarHBondContact O-CA 3.41Å; I271-T280 PolarHBondContact N-O 2.72Å; I271-T280 PolarHBondContact O-N 2.74Å
272F82.7Confident84.8Confident84 Ų8470.1 Ų70.137%0.36837%0.369SS..EExtended strand (participates in β ladder)trans-91.6133.2173.3-178.2-102.2000109.4E274 H277 S278 V279F272-E274 HydrophobicContact CD1-CG 4.12Å; F272-E274 HydrophobicContact CE1-CG 4.1Å; F272-H277 HydrophobicContact CE2-CB 4.35Å; F272-H277 WeakPolarHBondContact CE2-O 3.47Å; F272-H277 HydrophobicContact CZ-CB 4.1Å; F272-H277 AromaticContact CZ-ND1 3.62Å; F272-S278 WeakPolarHBondContact CA-O 3.26Å; F272-V279 HydrophobicContact CD2-CG2 3.77Å
273D81.3Confident84.9Confident74 Ų7473.3 Ų73.340%0.39638%0.378SS..  trans-99.7119173.3-167.9-34.2000109.1L275 D276 H277 S278D273-L275 PolarHBondContact O-N 2.79Å; D273-L275 VanDerWaalsContact OD1-CB 3.26Å; D273-L275 WeakPolarHBondContact OD1-CB 2.74Å; D273-L275 PolarHBondContact OD1-N 2.87Å; D273-D276 WeakPolarHBondContact CB-OD1 3.35Å; D273-H277 WeakPolarHBondContact O-CA 3.22Å; D273-H277 PolarHBondContact O-N 3.46Å; D273-S278 PolarHBondContact N-O 3.09Å
274E83Confident85Confident166 Ų16674 Ų7478%0.77638%0.382SS*.THydrogen-bonded Turntrans-74.1-14.1-178.7-64.5-176.4177.400113.1F272F272-E274 HydrophobicContact CD1-CG 4.12Å; F272-E274 HydrophobicContact CE1-CG 4.1Å
275L81.5Confident85.1Confident116 Ų11672.4 Ų72.461%0.60737%0.367SS*.THydrogen-bonded Turntrans-80.6-51.3-177.8-178.564.6000111.8Y114 D273Y114-L275 HydrophobicContact CD2-CG 4.38Å; Y114-L275 WeakPolarHBondContact CD2-O 3.41Å; Y114-L275 HydrophobicContact CE2-CD1 4.14Å; Y114-L275 HydrophobicContact CE2-CD2 4.31Å; Y114-L275 HydrophobicContact CE2-CG 3.75Å; D273-L275 PolarHBondContact O-N 2.79Å; D273-L275 VanDerWaalsContact OD1-CB 3.26Å; D273-L275 WeakPolarHBondContact OD1-CB 2.74Å; D273-L275 PolarHBondContact OD1-N 2.87Å
276D86.2Confident85.6Confident26 Ų2672.8 Ų72.814%0.13937%0.369CS..THydrogen-bonded Turntrans-108.44.5-177.479.5-13.6000113.4Y114 Q234 D273 S278Y114-D276 HydrophobicContact CD1-CB 3.59Å; Y114-D276 HydrophobicContact CD2-CB 4.47Å; Y114-D276 HydrophobicContact CE1-CB 3.39Å; Y114-D276 HydrophobicContact CE2-CB 4.3Å; Y114-D276 HydrophobicContact CG-CB 4.14Å; Q234-D276 PolarHBondContact NE2-O 2.76Å; Q234-D276 PolarHBondContact OE1-O 2.78Å; D273-D276 WeakPolarHBondContact CB-OD1 3.35Å; D276-S278 VanDerWaalsContact CG-OG 3.3Å; D276-S278 PolarHBondContact O-N 2.99Å; D276-S278 WeakPolarHBondContact OD1-CB 3.48Å; D276-S278 PolarHBondContact OD1-N 2.71Å; D276-S278 PolarHBondContact OD1-OG 2.69Å; D276-S278 PolarHBondContact OD2-OG 3.44Å
277H88.4Confident86.1Confident55 Ų5569.2 Ų69.226%0.25534%0.342SS..  trans57.224-179.1-64.7-93.7000114A110 A111 F272 D273A110-H277 VanDerWaalsContact CB-NE2 3.32Å; A110-H277 WeakPolarHBondContact CB-NE2 3.32Å; A111-H277 HydrophobicContact CB-CB 4.04Å; F272-H277 HydrophobicContact CE2-CB 4.35Å; F272-H277 WeakPolarHBondContact CE2-O 3.47Å; F272-H277 HydrophobicContact CZ-CB 4.1Å; F272-H277 AromaticContact CZ-ND1 3.62Å; D273-H277 WeakPolarHBondContact O-CA 3.22Å; D273-H277 PolarHBondContact O-N 3.46Å
278S90.7Very high86.9Confident15 Ų1572.1 Ų72.111%0.10535%0.346CS..  trans-88.2156.2178.474.80000113.1F272 D273 D276F272-S278 WeakPolarHBondContact CA-O 3.26Å; D273-S278 PolarHBondContact N-O 3.09Å; D276-S278 VanDerWaalsContact CG-OG 3.3Å; D276-S278 PolarHBondContact O-N 2.99Å; D276-S278 WeakPolarHBondContact OD1-CB 3.48Å; D276-S278 PolarHBondContact OD1-N 2.71Å; D276-S278 PolarHBondContact OD1-OG 2.69Å; D276-S278 PolarHBondContact OD2-OG 3.44Å
279V88.9Confident87.5Confident33 Ų3365.2 Ų65.220%0.231%0.314CS..EExtended strand (participates in β ladder)trans-114.8114.4174.3179.50000110.5G233 P270 I271 F272 R281G233-V279 WeakPolarHBondContact CA-O 3.28Å; G233-V279 PolarHBondContact O-N 2.81Å; P270-V279 HydrophobicContact CB-CG1 3.45Å; P270-V279 VanDerWaalsContact CB-CG1 3.45Å; I271-V279 CarbonylContact O-C 3.6Å; I271-V279 WeakPolarHBondContact O-CA 3.41Å; F272-V279 HydrophobicContact CD2-CG2 3.77Å; V279-R281 HydrophobicContact CG1-CG 4.05Å
280T87.8Confident88.3Confident35 Ų3558.3 Ų58.322%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-87.4115171.2-590000110.3N263 P270 I271N263-T280 HydrophobicContact CB-CG2 4.03Å; P270-T280 WeakPolarHBondContact CA-O 3.31Å; I271-T280 PolarHBondContact N-O 2.72Å; I271-T280 PolarHBondContact O-N 2.74Å
281R90.6Very high88.7Confident4 Ų459.3 Ų59.32%0.01530%0.296CS..  trans-97.2152.6-177.7-62.9177.8-179.987.3-2.5111.7S232 L235 D237 V264 S265 P270 V279 Y285 L286S232-R281 PolarHBondContact O-NH1 3.17Å; L235-R281 PolarHBondContact O-NH2 3.47Å; D237-R281 IonicContact OD1-CZ 2.76Å; D237-R281 VanDerWaalsContact OD1-CZ 3.25Å; D237-R281 IonicContact OD1-NE 2.75Å; D237-R281 PolarHBondContact OD1-NE 2.82Å; D237-R281 IonicContact OD1-NH2 2.88Å; D237-R281 PolarHBondContact OD1-NH2 2.8Å; V264-R281 WeakPolarHBondContact CA-O 3.34Å; S265-R281 PolarHBondContact N-O 3.25Å; P270-R281 HydrophobicContact CB-CG 4.35Å; P270-R281 HydrophobicContact CG-CG 4.49Å; V279-R281 HydrophobicContact CG1-CG 4.05Å; R281-Y285 HydrophobicContact CG-CD1 4.36Å; R281-L286 HydrophobicContact CB-CD1 4.46Å; R281-L286 HydrophobicContact CB-CD2 4.05Å; R281-L286 HydrophobicContact CB-CG 3.88Å
282S87.6Confident89.3Confident10 Ų1061.1 Ų61.17%0.0730%0.303CS..BIsolated β-bridgetrans-76.6162.1169.258.70000112T267 E268 D284 Y285 L286T267-S282 WeakPolarHBondContact O-CB 3.16Å; E268-S282 PolarHBondContact O-OG 2.94Å; S282-D284 PolarHBondContact O-N 2.72Å; S282-Y285 WeakPolarHBondContact O-CB 3.18Å; S282-Y285 PolarHBondContact O-N 3.5Å; S282-Y285 WeakPolarHBondContact OG-CB 3.35Å; S282-Y285 PolarHBondContact OG-N 3.29Å; S282-L286 PolarHBondContact O-N 2.86Å
283R93.3Very high89.7Confident103 Ų10357.3 Ų57.339%0.38929%0.286SS..Hα-helixtrans-54.3-51.6176.4-177.7-174.8177-82.7-5.7111.7V264 Y285 L286 L287 E300V264-R283 HydrophobicContact CG1-CB 3.95Å; V264-R283 VanDerWaalsContact CG1-N 3.3Å; R283-Y285 VanDerWaalsContact C-N 3.25Å; R283-Y285 PolarHBondContact O-N 3.26Å; R283-L286 PolarHBondContact O-N 3.35Å; R283-L287 HydrophobicContact CG-CD1 4.33Å; R283-L287 VanDerWaalsContact NH1-CD1 3.33Å; R283-L287 WeakPolarHBondContact O-CG 3.31Å; R283-L287 PolarHBondContact O-N 3.48Å; R283-E300 WeakPolarHBondContact CD-OE1 3.49Å; R283-E300 IonicContact CZ-OE1 2.98Å; R283-E300 IonicContact CZ-OE2 3.78Å; R283-E300 VanDerWaalsContact CZ-OE2 3.29Å; R283-E300 VanDerWaalsContact NE-CD 3.26Å; R283-E300 IonicContact NE-OE1 2.75Å; R283-E300 PolarHBondContact NE-OE1 3.28Å; R283-E300 IonicContact NE-OE2 3.25Å; R283-E300 PolarHBondContact NE-OE2 2.98Å; R283-E300 IonicContact NH2-OE1 2.63Å; R283-E300 IonicContact NH2-OE2 2.75Å; R283-E300 PolarHBondContact NH2-OE2 3.22Å
284D91.8Very high90.2Very high103 Ų10360 Ų6055%0.55130%0.297SS*.Hα-helixtrans-68.4-28.6-176.6-65.3-18.1000111.9S282 R288S282-D284 PolarHBondContact O-N 2.72Å; D284-R288 WeakPolarHBondContact O-CG 3.38Å; D284-R288 PolarHBondContact O-N 3.13Å
285Y90.3Very high90.7Very high48 Ų4854.1 Ų54.119%0.18827%0.27CS..Hα-helixtrans-67.3-49171.8-157.8-72.3000111.5D237 P270 R281 S282 R283 L287 R288 L289D237-Y285 WeakPolarHBondContact OD2-CE1 3.49Å; D237-Y285 VanDerWaalsContact OD2-CZ 3.26Å; D237-Y285 PolarHBondContact OD2-OH 2.75Å; P270-Y285 HydrophobicContact CG-CD1 4.46Å; P270-Y285 HydrophobicContact CG-CD2 3.92Å; P270-Y285 HydrophobicContact CG-CE1 4.23Å; P270-Y285 HydrophobicContact CG-CE2 3.69Å; P270-Y285 HydrophobicContact CG-CG 4.33Å; R281-Y285 HydrophobicContact CG-CD1 4.36Å; S282-Y285 WeakPolarHBondContact O-CB 3.18Å; S282-Y285 PolarHBondContact O-N 3.5Å; S282-Y285 WeakPolarHBondContact OG-CB 3.35Å; S282-Y285 PolarHBondContact OG-N 3.29Å; R283-Y285 VanDerWaalsContact C-N 3.25Å; R283-Y285 PolarHBondContact O-N 3.26Å; Y285-L287 VanDerWaalsContact C-N 3.32Å; Y285-L287 PolarHBondContact O-N 3.47Å; Y285-R288 WeakPolarHBondContact O-CB 3.39Å; Y285-R288 PolarHBondContact O-N 2.87Å; Y285-L289 HydrophobicContact CD1-CD1 3.97Å; Y285-L289 HydrophobicContact CD1-CG 4.07Å; Y285-L289 HydrophobicContact CE1-CD1 3.94Å; Y285-L289 HydrophobicContact CE1-CD2 4.15Å; Y285-L289 HydrophobicContact CE1-CG 4.06Å; Y285-L289 PolarHBondContact O-N 3.47Å; Y285-L289 VanDerWaalsContact O-N 3.11Å
286L93.6Very high91Very high14 Ų1453.7 Ų53.77%0.07327%0.272CS..Hα-helixtrans-58.8-42.9176-73.7170000111.9L240 R281 S282 R283 R288 L289 F290L240-L286 HydrophobicContact CD2-CD2 4.34Å; R281-L286 HydrophobicContact CB-CD1 4.46Å; R281-L286 HydrophobicContact CB-CD2 4.05Å; R281-L286 HydrophobicContact CB-CG 3.88Å; S282-L286 PolarHBondContact O-N 2.86Å; R283-L286 PolarHBondContact O-N 3.35Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 2.99Å; L286-L289 PolarHBondContact O-N 3.35Å; L286-F290 HydrophobicContact CB-CE2 4.05Å; L286-F290 HydrophobicContact CB-CZ 3.94Å; L286-F290 HydrophobicContact CD2-CE1 4.37Å; L286-F290 HydrophobicContact CD2-CZ 4.16Å; L286-F290 WeakPolarHBondContact O-CD1 3.49Å; L286-F290 WeakPolarHBondContact O-CD2 3.22Å; L286-F290 WeakPolarHBondContact O-CG 3.14Å; L286-F290 PolarHBondContact O-N 2.94Å
287L93.8Very high91.3Very high56 Ų5655.6 Ų55.629%0.29329%0.285SS..Hα-helixtrans-60.7-37.5177.1-71.3178.8000112.8R283 Y285 F290 A291 V297R283-L287 HydrophobicContact CG-CD1 4.33Å; R283-L287 VanDerWaalsContact NH1-CD1 3.33Å; R283-L287 WeakPolarHBondContact O-CG 3.31Å; R283-L287 PolarHBondContact O-N 3.48Å; Y285-L287 VanDerWaalsContact C-N 3.32Å; Y285-L287 PolarHBondContact O-N 3.47Å; L287-F290 HydrophobicContact CD2-CD2 4.37Å; L287-F290 PolarHBondContact O-N 3.09Å; L287-A291 WeakPolarHBondContact O-CB 3.33Å; L287-A291 PolarHBondContact O-N 3.43Å; L287-V297 HydrophobicContact CD2-CB 4.26Å; L287-V297 HydrophobicContact CD2-CG2 3.5Å; L287-V297 VanDerWaalsContact CD2-CG2 3.5Å
288R92.7Very high91.5Very high124 Ų12459.9 Ų59.947%0.46830%0.303SS..Hα-helixtrans-64.1-46.6173.5-75.1-174.4-69.8150-7.5111.5D284 Y285 L286 F290 A291 E292D284-R288 WeakPolarHBondContact O-CG 3.38Å; D284-R288 PolarHBondContact O-N 3.13Å; Y285-R288 WeakPolarHBondContact O-CB 3.39Å; Y285-R288 PolarHBondContact O-N 2.87Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 2.99Å; R288-F290 VanDerWaalsContact C-N 3.32Å; R288-F290 PolarHBondContact O-N 2.97Å; R288-A291 PolarHBondContact O-N 3.01Å; R288-E292 WeakPolarHBondContact O-CG 3.35Å; R288-E292 PolarHBondContact O-N 2.89Å; R288-E292 VanDerWaalsContact O-N 3.07Å
289L91.4Very high91.5Very high5 Ų561.7 Ų61.73%0.02631%0.309CS..Hα-helixtrans-60.4-41.6177.2-63.6-178.3000112D237 L240 K241 Y285 L286 E292D237-L289 HydrophobicContact CB-CD1 4.48Å; D237-L289 HydrophobicContact CB-CD2 4.16Å; L240-L289 HydrophobicContact CD2-CD1 4.02Å; K241-L289 HydrophobicContact CD-CD2 4.02Å; K241-L289 HydrophobicContact CG-CB 4.37Å; K241-L289 HydrophobicContact CG-CD2 4.32Å; Y285-L289 HydrophobicContact CD1-CD1 3.97Å; Y285-L289 HydrophobicContact CD1-CG 4.07Å; Y285-L289 HydrophobicContact CE1-CD1 3.94Å; Y285-L289 HydrophobicContact CE1-CD2 4.15Å; Y285-L289 HydrophobicContact CE1-CG 4.06Å; Y285-L289 PolarHBondContact O-N 3.47Å; Y285-L289 VanDerWaalsContact O-N 3.11Å; L286-L289 PolarHBondContact O-N 3.35Å; L289-E292 PolarHBondContact O-N 3.26Å
290F94.5Very high91.6Very high27 Ų2765 Ų6512%0.11832%0.322CS..Hα-helixtrans-65-41.1177.3-59.1-19.4000112L244 L260 L286 L287 R288 E292 V293 E294 L295 V297L244-F290 HydrophobicContact CD1-CD1 3.7Å; L244-F290 HydrophobicContact CD1-CE1 3.82Å; L260-F290 HydrophobicContact CD1-CE1 4.11Å; L260-F290 HydrophobicContact CD1-CZ 3.97Å; L286-F290 HydrophobicContact CB-CE2 4.05Å; L286-F290 HydrophobicContact CB-CZ 3.94Å; L286-F290 HydrophobicContact CD2-CE1 4.37Å; L286-F290 HydrophobicContact CD2-CZ 4.16Å; L286-F290 WeakPolarHBondContact O-CD1 3.49Å; L286-F290 WeakPolarHBondContact O-CD2 3.22Å; L286-F290 WeakPolarHBondContact O-CG 3.14Å; L286-F290 PolarHBondContact O-N 2.94Å; L287-F290 HydrophobicContact CD2-CD2 4.37Å; L287-F290 PolarHBondContact O-N 3.09Å; R288-F290 VanDerWaalsContact C-N 3.32Å; R288-F290 PolarHBondContact O-N 2.97Å; F290-E292 VanDerWaalsContact C-N 3.31Å; F290-E292 PolarHBondContact O-N 2.89Å; F290-V293 CarbonylContact O-C 3.6Å; F290-V293 VanDerWaalsContact O-CG2 3.3Å; F290-V293 WeakPolarHBondContact O-CG2 3.46Å; F290-V293 PolarHBondContact O-N 2.93Å; F290-E294 PolarHBondContact O-N 3.1Å; F290-L295 HydrophobicContact CB-CB 4.15Å; F290-L295 PolarHBondContact O-N 2.76Å; F290-V297 HydrophobicContact CD2-CG2 3.75Å; F290-V297 HydrophobicContact CE2-CG2 4.14Å
291A92.6Very high91.8Very high66 Ų6667.3 Ų67.355%0.54533%0.33SS..Hα-helixtrans-62.4-38.2177.100000112.1L287 R288 V293 E294L287-A291 WeakPolarHBondContact O-CB 3.33Å; L287-A291 PolarHBondContact O-N 3.43Å; R288-A291 PolarHBondContact O-N 3.01Å; A291-V293 PolarHBondContact O-N 3.14Å; A291-E294 PolarHBondContact O-N 3.34Å; A291-E294 VanDerWaalsContact O-N 3.11Å
292E92.2Very high91.6Very high119 Ų11976 Ų7656%0.55637%0.368SS*.Hα-helixtrans-63.2-22.6176.6-73.4180-146.900113.9K241 R288 L289 F290K241-E292 HydrophobicContact CD-CB 4.03Å; K241-E292 VanDerWaalsContact CD-OE2 3.32Å; K241-E292 WeakPolarHBondContact CD-OE2 3.42Å; K241-E292 IonicContact NZ-OE2 2.64Å; K241-E292 PolarHBondContact NZ-OE2 3.09Å; R288-E292 WeakPolarHBondContact O-CG 3.35Å; R288-E292 PolarHBondContact O-N 2.89Å; R288-E292 VanDerWaalsContact O-N 3.07Å; L289-E292 PolarHBondContact O-N 3.26Å; F290-E292 VanDerWaalsContact C-N 3.31Å; F290-E292 PolarHBondContact O-N 2.89Å
293V91.7Very high91.2Very high4 Ų477.8 Ų77.82%0.02438%0.376CS..THydrogen-bonded Turntrans-108.417.1176.2-60.60000113.1K241 L244 L245 K248 F290 A291 L295K241-V293 HydrophobicContact CB-CG1 3.59Å; K241-V293 HydrophobicContact CD-CG1 4.31Å; K241-V293 HydrophobicContact CG-CG1 3.82Å; L244-V293 HydrophobicContact CB-CG2 4.18Å; L244-V293 HydrophobicContact CD1-CG2 4.32Å; L245-V293 HydrophobicContact CD1-CG1 4.12Å; L245-V293 HydrophobicContact CD2-CB 3.81Å; L245-V293 HydrophobicContact CD2-CG1 4.14Å; L245-V293 HydrophobicContact CG-CB 3.98Å; L245-V293 HydrophobicContact CG-CG1 3.83Å; K248-V293 PolarHBondContact NZ-O 2.85Å; F290-V293 CarbonylContact O-C 3.6Å; F290-V293 VanDerWaalsContact O-CG2 3.3Å; F290-V293 WeakPolarHBondContact O-CG2 3.46Å; F290-V293 PolarHBondContact O-N 2.93Å; A291-V293 PolarHBondContact O-N 3.14Å; V293-L295 HydrophobicContact CG2-CB 4.31Å; V293-L295 HydrophobicContact CG2-CD1 3.9Å; V293-L295 HydrophobicContact CG2-CG 4.02Å; V293-L295 PolarHBondContact O-N 2.93Å
294E92.3Very high90.4Very high132 Ų13279.4 Ų79.462%0.61739%0.385SS*.THydrogen-bonded Turntrans56.636.4178.4-53168.4-174.900112.9K248 F290 A291K248-E294 IonicContact NZ-OE2 3.81Å; F290-E294 PolarHBondContact O-N 3.1Å; A291-E294 PolarHBondContact O-N 3.34Å; A291-E294 VanDerWaalsContact O-N 3.11Å
295L92Very high89.5Confident42 Ų4283.2 Ų83.222%0.2240%0.397CS..  trans-98.1140.6169.4-73.2175.8000109.9L244 K248 I258 F290 V293L244-L295 HydrophobicContact CB-CD1 3.93Å; L244-L295 HydrophobicContact CD1-CD1 4.24Å; L244-L295 HydrophobicContact CD2-CD1 4.09Å; L244-L295 HydrophobicContact CG-CD1 4.31Å; K248-L295 HydrophobicContact CD-CD2 3.93Å; K248-L295 HydrophobicContact CD-CG 4.18Å; K248-L295 HydrophobicContact CG-CD2 3.84Å; K248-L295 HydrophobicContact CG-CG 4.45Å; I258-L295 HydrophobicContact CD1-CD1 4.17Å; I258-L295 HydrophobicContact CD1-CD2 4.37Å; F290-L295 HydrophobicContact CB-CB 4.15Å; F290-L295 PolarHBondContact O-N 2.76Å; V293-L295 HydrophobicContact CG2-CB 4.31Å; V293-L295 HydrophobicContact CG2-CD1 3.9Å; V293-L295 HydrophobicContact CG2-CG 4.02Å; V293-L295 PolarHBondContact O-N 2.93Å
296T88.8Confident88.4Confident106 Ų10683.3 Ų83.365%0.6540%0.399SS*.  trans-119.6131.9175.754.50000109.7K298T296-K298 PolarHBondContact O-N 2.76Å
297V93.1Very high86.8Confident67 Ų6785 Ų8541%0.40641%0.411SS..  trans-74.2117.9176.21790000108.9L287 F290 F299 E300L287-V297 HydrophobicContact CD2-CB 4.26Å; L287-V297 HydrophobicContact CD2-CG2 3.5Å; L287-V297 VanDerWaalsContact CD2-CG2 3.5Å; F290-V297 HydrophobicContact CD2-CG2 3.75Å; F290-V297 HydrophobicContact CE2-CG2 4.14Å; V297-F299 WeakPolarHBondContact CG1-O 3.47Å; V297-E300 HydrophobicContact CG1-CB 4.15Å
298K91.4Very high84.8Confident145 Ų14592 Ų9263%0.6344%0.439SS*.  trans-91.1-36.4177.3-63.9-63.7-176.3-177.80112.7T296T296-K298 PolarHBondContact O-N 2.76Å
299F91.1Very high82.7Confident52 Ų5292.8 Ų92.823%0.22845%0.452CS..  trans-138.2140.8179.6-54-69.5000109.1F143 V147 K150 L151 V297F143-F299 HydrophobicContact CE2-CB 4.09Å; F143-F299 HydrophobicContact CZ-CB 4Å; V147-F299 HydrophobicContact CG2-CB 4.41Å; V147-F299 HydrophobicContact CG2-CD2 3.99Å; V147-F299 HydrophobicContact CG2-CG 4.41Å; K150-F299 HydrophobicContact CB-CE1 4.08Å; K150-F299 HydrophobicContact CB-CE2 4.12Å; K150-F299 HydrophobicContact CB-CZ 3.47Å; K150-F299 VanDerWaalsContact CB-CZ 3.47Å; K150-F299 HydrophobicContact CD-CD1 4.1Å; K150-F299 HydrophobicContact CD-CE1 3.24Å; K150-F299 HydrophobicContact CD-CZ 3.59Å; K150-F299 HydrophobicContact CG-CE1 4.3Å; K150-F299 HydrophobicContact CG-CZ 4.18Å; L151-F299 HydrophobicContact CD1-CE2 4.13Å; L151-F299 HydrophobicContact CD2-CE2 3.75Å; L151-F299 HydrophobicContact CD2-CZ 4.28Å; L151-F299 HydrophobicContact CG-CE2 3.73Å; V297-F299 WeakPolarHBondContact CG1-O 3.47Å
300E92.1Very high80.5Confident104 Ų10496 Ų9649%0.48647%0.469SS..  trans-141137.9175.3-175.6-178178.400107.2R283 V297R283-E300 WeakPolarHBondContact CD-OE1 3.49Å; R283-E300 IonicContact CZ-OE1 2.98Å; R283-E300 IonicContact CZ-OE2 3.78Å; R283-E300 VanDerWaalsContact CZ-OE2 3.29Å; R283-E300 VanDerWaalsContact NE-CD 3.26Å; R283-E300 IonicContact NE-OE1 2.75Å; R283-E300 PolarHBondContact NE-OE1 3.28Å; R283-E300 IonicContact NE-OE2 3.25Å; R283-E300 PolarHBondContact NE-OE2 2.98Å; R283-E300 IonicContact NH2-OE1 2.63Å; R283-E300 IonicContact NH2-OE2 2.75Å; R283-E300 PolarHBondContact NH2-OE2 3.22Å; V297-E300 HydrophobicContact CG1-CB 4.15Å
301E90.4Very high77.2Confident82 Ų82104 Ų10438%0.38350%0.504SS..  trans-149.1132.5175.4-169.6152.6177.600109.8F143 K146 K304F143-E301 HydrophobicContact CD2-CB 3.73Å; F143-E301 HydrophobicContact CE2-CB 3.86Å; K146-E301 IonicContact NZ-OE2 3.41Å; K146-E301 PolarHBondContact NZ-OE2 3.48Å; E301-K304 IonicContact OE1-NZ 2.99Å; E301-K304 PolarHBondContact OE1-NZ 3.42Å
302K86.2Confident74Confident186 Ų186110 Ų11081%0.80952%0.521SS*.PPolyproline II helixtrans-79130172.1-174.4174.5-179.1174.10108.8K304K302-K304 PolarHBondContact O-N 3.11Å
303Q80.9Confident70.7Confident49 Ų49109.6 Ų109.623%0.22953%0.531CS..PPolyproline II helixtrans-55.8127.2172.3-17966.558.700109.8I135 F306I135-Q303 PolarHBondContact O-NE2 2.9Å; I135-Q303 VanDerWaalsContact O-NE2 3.1Å; Q303-F306 HydrophobicContact CG-CD1 3.63Å; Q303-F306 HydrophobicContact CG-CD2 4.5Å; Q303-F306 HydrophobicContact CG-CE1 3.45Å; Q303-F306 VanDerWaalsContact CG-CE1 3.45Å; Q303-F306 HydrophobicContact CG-CE2 4.34Å; Q303-F306 HydrophobicContact CG-CG 4.18Å; Q303-F306 HydrophobicContact CG-CZ 3.84Å
304K76.6Confident67.5Low136 Ų136115.4 Ų115.459%0.59157%0.57SS**PPolyproline II helixtrans-97.7162.1-179.8-62.1174.6-173.6156.90110I135 E301 K302 F306I135-K304 WeakPolarHBondContact CG2-O 3.26Å; E301-K304 IonicContact OE1-NZ 2.99Å; E301-K304 PolarHBondContact OE1-NZ 3.42Å; K302-K304 PolarHBondContact O-N 3.11Å; K304-F306 PolarHBondContact O-N 3.09Å
305K71.6Confident64.4Low184 Ų184114.4 Ų114.480%0.858%0.578SS**SBendtrans65.814.1175.9-51.6-179178-177.40115.7I135I135-K305 HydrophobicContact CG2-CB 3.94Å
306F67.3Low61.5Low49 Ų49116.6 Ų116.622%0.21560%0.602CS.*  trans-72140.7165-85.226.2000109.2L132 I135 D136 W230 Q303 K304 L310L132-F306 HydrophobicContact CB-CE1 4.47Å; L132-F306 HydrophobicContact CB-CZ 4.43Å; L132-F306 HydrophobicContact CD1-CD2 4.43Å; L132-F306 HydrophobicContact CD1-CE2 4.2Å; L132-F306 HydrophobicContact CD1-CZ 4.35Å; I135-F306 HydrophobicContact CB-CD1 4.5Å; I135-F306 HydrophobicContact CB-CE1 4.24Å; I135-F306 HydrophobicContact CG2-CD1 3.79Å; I135-F306 HydrophobicContact CG2-CE1 3.85Å; D136-F306 HydrophobicContact CB-CZ 4.46Å; W230-F306 HydrophobicContact CZ2-CE2 4.4Å; W230-F306 HydrophobicContact CZ2-CZ 4.41Å; Q303-F306 HydrophobicContact CG-CD1 3.63Å; Q303-F306 HydrophobicContact CG-CD2 4.5Å; Q303-F306 HydrophobicContact CG-CE1 3.45Å; Q303-F306 VanDerWaalsContact CG-CE1 3.45Å; Q303-F306 HydrophobicContact CG-CE2 4.34Å; Q303-F306 HydrophobicContact CG-CG 4.18Å; Q303-F306 HydrophobicContact CG-CZ 3.84Å; K304-F306 PolarHBondContact O-N 3.09Å; F306-L310 HydrophobicContact CB-CD1 4.27Å; F306-L310 HydrophobicContact CD2-CD1 3.98Å
307P60.8Low58.7Low50 Ų50116.2 Ų116.233%0.32560%0.601SS.*  trans-53.4145.8172.7-24.133.6000111.1L132 D309L132-P307 HydrophobicContact CD2-CG 4.16Å; P307-D309 VanDerWaalsContact C-N 3.27Å; P307-D309 PolarHBondContact O-N 2.95Å
308K52.1Low56Low204 Ų204117.2 Ų117.289%0.88761%0.607SS**SBendtrans-72-24.3-180-70.6-174.6-179.8178.30112.8
309D47.4Very low53.8Low140 Ų140114 Ų11475%0.74960%0.595SS**  trans-115.351.4-167.4-52.7-33.9000111.2P307 F311P307-D309 VanDerWaalsContact C-N 3.27Å; P307-D309 PolarHBondContact O-N 2.95Å; D309-F311 PolarHBondContact O-N 3.18Å
310L44.7Very low51.6Low73 Ų73115.9 Ų115.938%0.38261%0.61SS.*  trans-65.89.4179.9-79.1162.3000114.8L129 L132 F306L129-L310 HydrophobicContact CD1-CD2 3.94Å; L129-L310 HydrophobicContact CD2-CD2 4.28Å; L132-L310 HydrophobicContact CD1-CD2 3.82Å; F306-L310 HydrophobicContact CB-CD1 4.27Å; F306-L310 HydrophobicContact CD2-CD1 3.98Å
311F26.3Very low49.4Very low195 Ų195112.2 Ų112.286%0.85560%0.598SS**SBendtrans-97114.2168.4-73-80.2000108.7D309 S313D309-F311 PolarHBondContact O-N 3.18Å; F311-S313 PolarHBondContact O-N 2.86Å
312E25.2Very low47.5Very low192 Ų192114 Ų11490%0.89760%0.604SS**  trans-59.9119.1178.1-82.1-173.2153.500111.4
313S22.6Very low45.7Very low109 Ų109108.7 Ų108.776%0.76258%0.582SS**  trans-138.989.8150.970.40000108.3F311F311-S313 PolarHBondContact O-N 2.86Å
314C24.3Very low44.3Very low126 Ų126109.9 Ų109.985%0.85160%0.596SS**  trans-91.7100.4169.5-109.20000108.9
315S27.7Very low43.2Very low111 Ų111106.1 Ų106.178%0.77658%0.582SS**  trans-132.9105.1166.653.50000109.3
316A30.3Very low42.3Very low88 Ų88102 Ų10273%0.72758%0.575SS**  trans-157.2151.8166.500000110.6
317P31.2Very low41.8Very low98 Ų9899.7 Ų99.764%0.63657%0.565SS**PPolyproline II helixtrans-83.5142.8-160.319.3-7.5000113.9
318V36.7Very low41.7Very low88 Ų8897.7 Ų97.753%0.53355%0.551SS.*PPolyproline II helixtrans-83122.9-176.6-171.70000110.7T320V318-T320 HydrophobicContact CG1-CG2 3.52Å
319H43.7Very low42.1Very low79 Ų7989.5 Ų89.537%0.36652%0.516SS..PPolyproline II helixtrans-97.7116.1159.3-76.3-50.8000108.9C413 L415H319-C413 PolarHBondContact CD2-SG 3.14Å; H319-L415 HydrophobicContact CB-CB 4.34Å; H319-L415 HydrophobicContact CB-CD2 4.04Å; H319-L415 WeakPolarHBondContact O-CD2 3.13Å
320T45Very low43Very low91 Ų9183.2 Ų83.256%0.55848%0.482SS*.PPolyproline II helixtrans-102.9123.8-179.744.40000111.1V318 Y331V318-T320 HydrophobicContact CG1-CG2 3.52Å; T320-Y331 HydrophobicContact CG2-CD1 3.87Å; T320-Y331 HydrophobicContact CG2-CG 4.5Å
321A45.6Very low43.9Very low26 Ų2682.8 Ų82.822%0.21548%0.475CS..PPolyproline II helixtrans-102.5128.7157.100000107.5W330 V417A321-W330 VanDerWaalsContact O-O 3.13Å; A321-V417 HydrophobicContact CB-CB 3.69Å; A321-V417 HydrophobicContact CB-CG2 3.74Å
322K51.2Low45.7Very low120 Ų12073.5 Ų73.552%0.52244%0.435SS..  trans-110.8123.9-174178.9175.6174.6161.10109.5S324 E329K322-S324 VanDerWaalsContact CE-OG 3.32Å; K322-S324 WeakPolarHBondContact CE-OG 3.15Å; K322-E329 VanDerWaalsContact CE-OE1 3.23Å; K322-E329 WeakPolarHBondContact CE-OE1 3.29Å; K322-E329 WeakPolarHBondContact CE-OE2 3.17Å; K322-E329 IonicContact NZ-OE1 3.16Å; K322-E329 PolarHBondContact NZ-OE1 2.93Å; K322-E329 IonicContact NZ-OE2 3.52Å; K322-E329 PolarHBondContact NZ-OE2 2.77Å
323E48.5Very low47.6Very low74 Ų7465.9 Ų65.935%0.34640%0.399SS..EExtended strand (participates in β ladder)trans-123.4121.4165.3-146.2166.2-167.600107.6W330 I419E323-W330 PolarHBondContact O-N 2.84Å; E323-I419 VanDerWaalsContact OE2-CA 3.3Å; E323-I419 WeakPolarHBondContact OE2-CA 3.34Å; E323-I419 VanDerWaalsContact OE2-CB 3.31Å; E323-I419 WeakPolarHBondContact OE2-CB 3.41Å; E323-I419 PolarHBondContact OE2-N 2.8Å; E323-I419 VanDerWaalsContact OE2-O 3.06Å
324S52Low49.5Very low74 Ų7462.3 Ų62.352%0.51737%0.374SS..EExtended strand (participates in β ladder)trans-99.2111-179.6-68.70000108.7K322K322-S324 VanDerWaalsContact CE-OG 3.32Å; K322-S324 WeakPolarHBondContact CE-OG 3.15Å
325L52.9Low51.5Low58 Ų5861.4 Ų61.430%0.30435%0.353SS..EExtended strand (participates in β ladder)trans-99139155.2-82.799.1000107.3G327 Y328 V421L325-G327 PolarHBondContact O-N 2.76Å; L325-Y328 PolarHBondContact O-N 2.87Å; L325-V421 HydrophobicContact CD1-CB 4.41Å; L325-V421 HydrophobicContact CD1-CG2 3.57Å; L325-V421 HydrophobicContact CD2-CB 3.82Å; L325-V421 HydrophobicContact CD2-CG1 4.22Å; L325-V421 HydrophobicContact CD2-CG2 3.71Å; L325-V421 HydrophobicContact CG-CG2 4.25Å
326C53.6Low52.9Low97 Ų9762.4 Ų62.466%0.65534%0.343SS*.THydrogen-bonded Turntrans-41.3127.4-179.4142.40000111.3
327G56.3Low54.3Low0 Ų058.7 Ų58.70%031%0.312CS..THydrogen-bonded Turntrans101.1-36.6-176.600000115.5L325 P351 C352 C355L325-G327 PolarHBondContact O-N 2.76Å; G327-P351 CarbonylContact O-C 3.57Å; G327-P351 WeakPolarHBondContact O-CA 3.27Å; G327-C352 PolarHBondContact O-N 2.76Å; G327-C355 PolarHBondContact N-SG 3.04Å
328Y58.3Low55.5Low9 Ų961.7 Ų61.74%0.03532%0.317CS..EExtended strand (participates in β ladder)trans-139.7146.8-173.1-73-100.8000114.1L325 A349 A350 P351 F358 L360 I384L325-Y328 PolarHBondContact O-N 2.87Å; Y328-A349 HydrophobicContact CD1-CB 4.41Å; Y328-A350 CarbonylContact C-O 3.5Å; Y328-A350 VanDerWaalsContact CA-O 3.27Å; Y328-A350 WeakPolarHBondContact CA-O 3.45Å; Y328-A350 WeakPolarHBondContact CD1-O 3.39Å; Y328-P351 HydrophobicContact CE1-CG 4.2Å; Y328-F358 VanDerWaalsContact CE2-O 3.3Å; Y328-F358 WeakPolarHBondContact CE2-O 3.27Å; Y328-F358 PolarHBondContact OH-O 2.64Å; Y328-L360 HydrophobicContact CD2-CD1 3.39Å; Y328-L360 HydrophobicContact CD2-CG 4.29Å; Y328-L360 HydrophobicContact CE2-CB 4.39Å; Y328-L360 HydrophobicContact CE2-CD1 3.58Å; Y328-L360 HydrophobicContact CE2-CG 3.98Å; Y328-I384 HydrophobicContact CD1-CG2 4.12Å; Y328-I384 HydrophobicContact CE1-CG2 3.94Å; Y328-I384 PolarHBondContact OH-O 3.37Å
329E61.4Low56.1Low32 Ų3265.1 Ų65.115%0.1533%0.328CS..EExtended strand (participates in β ladder)trans-105.8130.3166.5-58.5-165.1169.600109.7K322 Y331 A349 A350 C352K322-E329 VanDerWaalsContact CE-OE1 3.23Å; K322-E329 WeakPolarHBondContact CE-OE1 3.29Å; K322-E329 WeakPolarHBondContact CE-OE2 3.17Å; K322-E329 IonicContact NZ-OE1 3.16Å; K322-E329 PolarHBondContact NZ-OE1 2.93Å; K322-E329 IonicContact NZ-OE2 3.52Å; K322-E329 PolarHBondContact NZ-OE2 2.77Å; E329-Y331 HydrophobicContact CB-CE1 4.43Å; E329-Y331 HydrophobicContact CB-CE2 3.98Å; E329-Y331 WeakPolarHBondContact CB-OH 3.38Å; E329-Y331 PolarHBondContact OE2-OH 3.24Å; E329-A349 CarbonylContact O-C 3.58Å; E329-A349 WeakPolarHBondContact O-CA 3.46Å; E329-A350 PolarHBondContact N-O 3.2Å; E329-A350 PolarHBondContact O-N 3.17Å; E329-C352 HydrophobicContact CG-CB 4.27Å
330W64.7Low56.5Low8 Ų867.4 Ų67.43%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-104.8139.4179.3-57.275.8000110A321 E323 L347 L348 A349 V362 Y364 I384 I419A321-W330 VanDerWaalsContact O-O 3.13Å; E323-W330 PolarHBondContact O-N 2.84Å; W330-L347 HydrophobicContact CB-CD1 4.36Å; W330-L347 HydrophobicContact CE3-CD1 4.05Å; W330-L347 HydrophobicContact CE3-CD2 3.8Å; W330-L347 HydrophobicContact CE3-CG 3.97Å; W330-L347 HydrophobicContact CZ3-CD2 3.8Å; W330-L347 HydrophobicContact CZ3-CG 4.36Å; W330-L348 CarbonylContact C-O 3.48Å; W330-L348 WeakPolarHBondContact CA-O 3.32Å; W330-A349 HydrophobicContact CD2-CB 4.02Å; W330-A349 HydrophobicContact CE3-CB 3.78Å; W330-A349 HydrophobicContact CZ3-CB 4.23Å; W330-V362 HydrophobicContact CH2-CB 4.16Å; W330-V362 HydrophobicContact CH2-CG1 3.98Å; W330-V362 HydrophobicContact CH2-CG2 4.25Å; W330-V362 HydrophobicContact CZ2-CB 4.34Å; W330-V362 HydrophobicContact CZ2-CG1 3.95Å; W330-V362 HydrophobicContact CZ2-CG2 4.09Å; W330-Y364 AromaticContact CH2-CD1 3.79Å; W330-Y364 HydrophobicContact CH2-CD1 3.79Å; W330-Y364 AromaticContact CH2-CE1 3.99Å; W330-Y364 HydrophobicContact CH2-CE1 3.99Å; W330-Y364 HydrophobicContact CH2-CG 4.3Å; W330-Y364 HydrophobicContact CZ3-CD1 4.13Å; W330-Y364 AromaticContact CZ3-CE1 3.97Å; W330-Y364 HydrophobicContact CZ3-CE1 3.97Å; W330-I384 HydrophobicContact CE3-CD1 4.49Å; W330-I384 HydrophobicContact CH2-CD1 2.95Å; W330-I384 HydrophobicContact CH2-CG1 4.45Å; W330-I384 HydrophobicContact CZ2-CD1 3.74Å; W330-I384 HydrophobicContact CZ3-CD1 3.38Å; W330-I419 HydrophobicContact CB-CD1 3.63Å; W330-I419 HydrophobicContact CD2-CD1 4.3Å; W330-I419 HydrophobicContact CE3-CD1 4.36Å; W330-I419 HydrophobicContact CG-CD1 4.05Å
331Y64.4Low57Low63 Ų6367.2 Ų67.225%0.24733%0.334CS..EExtended strand (participates in β ladder)trans-132.9141.9178.3-45-86000109.3T320 E329 L347 L348 A350T320-Y331 HydrophobicContact CG2-CD1 3.87Å; T320-Y331 HydrophobicContact CG2-CG 4.5Å; E329-Y331 HydrophobicContact CB-CE1 4.43Å; E329-Y331 HydrophobicContact CB-CE2 3.98Å; E329-Y331 WeakPolarHBondContact CB-OH 3.38Å; E329-Y331 PolarHBondContact OE2-OH 3.24Å; Y331-L347 CarbonylContact O-C 3.53Å; Y331-L348 HydrophobicContact CD2-CB 4.43Å; Y331-L348 PolarHBondContact N-O 3.38Å; Y331-L348 WeakPolarHBondContact O-CA 3.45Å; Y331-L348 PolarHBondContact O-N 3.25Å; Y331-L348 VanDerWaalsContact O-O 3.14Å; Y331-A350 HydrophobicContact CE2-CB 3.88Å
332V64.5Low57.7Low1 Ų167.6 Ų67.61%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-110.6128.9169.9177.10000108.8L345 L346 L347 M366 L415 V417V332-L345 HydrophobicContact CG1-CB 3.98Å; V332-L345 HydrophobicContact CG1-CD2 3.82Å; V332-L345 HydrophobicContact CG1-CG 4.44Å; V332-L346 CarbonylContact C-O 3.23Å; V332-L346 VanDerWaalsContact CA-O 3.31Å; V332-L346 WeakPolarHBondContact CA-O 3.39Å; V332-L347 HydrophobicContact CG2-CD1 3.57Å; V332-M366 HydrophobicContact CG2-SD 3.64Å; V332-L415 HydrophobicContact CG1-CD2 4.45Å; V332-V417 HydrophobicContact CB-CG2 3.72Å; V332-V417 HydrophobicContact CG1-CG2 4.26Å; V332-V417 HydrophobicContact CG2-CB 4.19Å; V332-V417 HydrophobicContact CG2-CG1 3.63Å; V332-V417 HydrophobicContact CG2-CG2 3.57Å
333E64.7Low58.2Low31 Ų3163.3 Ų63.315%0.14531%0.312CS..EExtended strand (participates in β ladder)trans-107.3125.9175.9-168.2-175.4162.700109.8R335 L345 L346 L348E333-R335 HydrophobicContact CG-CG 4.27Å; E333-R335 IonicContact OE1-CZ 2.71Å; E333-R335 VanDerWaalsContact OE1-CZ 3.26Å; E333-R335 IonicContact OE1-NE 3.5Å; E333-R335 PolarHBondContact OE1-NE 2.97Å; E333-R335 IonicContact OE1-NH2 3.61Å; E333-R335 PolarHBondContact OE1-NH2 2.73Å; E333-R335 IonicContact OE2-CZ 3.57Å; E333-R335 IonicContact OE2-NE 3.99Å; E333-R335 PolarHBondContact OE2-NE 2.84Å; E333-R335 IonicContact OE2-NH2 3.69Å; E333-R335 PolarHBondContact OE2-NH2 2.95Å; E333-L345 CarbonylContact O-C 3.45Å; E333-L345 VanDerWaalsContact O-CA 3.3Å; E333-L345 WeakPolarHBondContact O-CA 3.46Å; E333-L346 HydrophobicContact CB-CB 4.41Å; E333-L346 PolarHBondContact N-O 2.92Å; E333-L346 PolarHBondContact O-N 3.48Å; E333-L348 HydrophobicContact CB-CD1 4.32Å
334C63Low59Low35 Ų3561 Ų6124%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-95.8119.3174.3-174.20000110.3L345C334-L345 HydrophobicContact CB-CD2 3.57Å
335R65.3Low59.5Low106 Ų10657.5 Ų57.540%0.428%0.277SS..EExtended strand (participates in β ladder)trans-118159.5175.4-61.4-173.7-178.9174.95.4110.4E333 R343 E344 L346E333-R335 HydrophobicContact CG-CG 4.27Å; E333-R335 IonicContact OE1-CZ 2.71Å; E333-R335 VanDerWaalsContact OE1-CZ 3.26Å; E333-R335 IonicContact OE1-NE 3.5Å; E333-R335 PolarHBondContact OE1-NE 2.97Å; E333-R335 IonicContact OE1-NH2 3.61Å; E333-R335 PolarHBondContact OE1-NH2 2.73Å; E333-R335 IonicContact OE2-CZ 3.57Å; E333-R335 IonicContact OE2-NE 3.99Å; E333-R335 PolarHBondContact OE2-NE 2.84Å; E333-R335 IonicContact OE2-NH2 3.69Å; E333-R335 PolarHBondContact OE2-NH2 2.95Å; R335-R343 CarbonylContact O-C 3.47Å; R335-R343 WeakPolarHBondContact O-CA 3.45Å; R335-E344 PolarHBondContact N-O 2.99Å; R335-E344 PolarHBondContact O-N 3.32Å; R335-L346 HydrophobicContact CG-CD1 4.31Å
336K58.7Low59.9Low133 Ų13355.8 Ų55.858%0.57827%0.267SS*.EExtended strand (participates in β ladder)trans-82.1133.5171.1-168.4178179.3-178.20109.3
337S57.9Low60.4Low9 Ų951.3 Ų51.36%0.06324%0.237CC..  trans-71.7140.1174.4-168.30000110.5E342 E344S337-E342 WeakPolarHBondContact CB-O 3.46Å; S337-E342 PolarHBondContact N-O 3.04Å; S337-E344 PolarHBondContact OG-OE1 2.7Å
338E56.7Low60.6Low162 Ų16253.2 Ų53.276%0.75725%0.247SC*.SBendtrans-76-22.6179-70.7-179177.700113.4
339Q50.5Low60.8Low160 Ų16053.4 Ų53.475%0.74825%0.25SS*.SBendtrans-96.8-18.8-170.4-67.4-159.3-6.700114.6
340Q51.3Low60.7Low126 Ų12653.5 Ų53.559%0.58926%0.257SS*.SBendtrans-153.3170.3-176-65.5-165.4400110.9E342Q340-E342 HydrophobicContact CB-CB 4.39Å; Q340-E342 HydrophobicContact CB-CG 3.78Å; Q340-E342 PolarHBondContact O-N 3.2Å
341N56.2Low60.4Low88 Ų8855.8 Ų55.847%0.47127%0.272SS..SBendtrans-73.239.3176.7-141.429.3000111.7C404N341-C404 PolarHBondContact ND2-N 2.95Å; N341-C404 PolarHBondContact ND2-O 3.03Å
342E60Low60.1Low33 Ų3353.7 Ų53.715%0.15427%0.267CS..  trans-112.4161.2-172.7-60.7-170.6140.800111S337 Q340 S401S337-E342 WeakPolarHBondContact CB-O 3.46Å; S337-E342 PolarHBondContact N-O 3.04Å; Q340-E342 HydrophobicContact CB-CB 4.39Å; Q340-E342 HydrophobicContact CB-CG 3.78Å; Q340-E342 PolarHBondContact O-N 3.2Å; E342-S401 WeakPolarHBondContact OE1-CB 3.33Å; E342-S401 PolarHBondContact OE1-OG 3.24Å
343R61.8Low59.8Low30 Ų3058.4 Ų58.411%0.11331%0.306CS..EExtended strand (participates in β ladder)trans-110.6138.1176.1-63.6177.4-176.3171.9-0.4110.2R335 L370 D371 V400R335-R343 CarbonylContact O-C 3.47Å; R335-R343 WeakPolarHBondContact O-CA 3.45Å; R343-L370 HydrophobicContact CB-CD2 4.28Å; R343-D371 IonicContact CZ-OD2 3.94Å; R343-D371 IonicContact NH1-OD2 3.76Å; R343-D371 PolarHBondContact NH1-OD2 3.43Å; R343-D371 IonicContact NH2-OD2 2.66Å; R343-V400 PolarHBondContact N-O 2.94Å; R343-V400 PolarHBondContact O-N 3.41Å
344E64.2Low59.4Low27 Ų2764.3 Ų64.313%0.12634%0.338CS..EExtended strand (participates in β ladder)trans-105123.1175.6-77.8-178.1173.300109.3R335 S337 L346 V397 R399R335-E344 PolarHBondContact N-O 2.99Å; R335-E344 PolarHBondContact O-N 3.32Å; S337-E344 PolarHBondContact OG-OE1 2.7Å; E344-L346 HydrophobicContact CB-CD1 4.42Å; E344-V397 HydrophobicContact CB-CG1 4.04Å; E344-V397 HydrophobicContact CG-CG1 3.93Å; E344-R399 HydrophobicContact CG-CG 3.95Å; E344-R399 IonicContact OE1-CZ 2.92Å; E344-R399 IonicContact OE1-NE 3.69Å; E344-R399 PolarHBondContact OE1-NE 3.17Å; E344-R399 IonicContact OE1-NH2 3.17Å; E344-R399 PolarHBondContact OE1-NH2 3.11Å; E344-R399 VanDerWaalsContact OE1-NH2 3.16Å
345L63Low58.7Low0 Ų064.5 Ų64.50%034%0.34CS..EExtended strand (participates in β ladder)trans-100.8117.3174.2-65.4163.6000108.6V332 E333 C334 V368 V397 L398 V400 L415V332-L345 HydrophobicContact CG1-CB 3.98Å; V332-L345 HydrophobicContact CG1-CD2 3.82Å; V332-L345 HydrophobicContact CG1-CG 4.44Å; E333-L345 CarbonylContact O-C 3.45Å; E333-L345 VanDerWaalsContact O-CA 3.3Å; E333-L345 WeakPolarHBondContact O-CA 3.46Å; C334-L345 HydrophobicContact CB-CD2 3.57Å; L345-V368 HydrophobicContact CD1-CB 3.82Å; L345-V368 HydrophobicContact CD1-CG1 3.46Å; L345-V368 VanDerWaalsContact CD1-CG1 3.46Å; L345-V368 HydrophobicContact CD1-CG2 4.13Å; L345-V368 HydrophobicContact CD2-CG1 4.31Å; L345-V397 WeakPolarHBondContact O-CA 3.5Å; L345-L398 HydrophobicContact CB-CB 4.45Å; L345-L398 WeakPolarHBondContact CB-O 3.37Å; L345-L398 HydrophobicContact CD1-CD2 3.84Å; L345-L398 PolarHBondContact N-O 3.03Å; L345-L398 PolarHBondContact O-N 3.17Å; L345-V400 HydrophobicContact CD1-CG2 3.52Å; L345-V400 HydrophobicContact CG-CG2 4.4Å; L345-L415 HydrophobicContact CD2-CD1 3.96Å
346L62.4Low57.9Low21 Ų2166 Ų6611%0.1136%0.356CS..EExtended strand (participates in β ladder)trans-98.1123.2174.3-77.381.7000109.1V332 E333 R335 E344 L348 W395 V397V332-L346 CarbonylContact C-O 3.23Å; V332-L346 VanDerWaalsContact CA-O 3.31Å; V332-L346 WeakPolarHBondContact CA-O 3.39Å; E333-L346 HydrophobicContact CB-CB 4.41Å; E333-L346 PolarHBondContact N-O 2.92Å; E333-L346 PolarHBondContact O-N 3.48Å; R335-L346 HydrophobicContact CG-CD1 4.31Å; E344-L346 HydrophobicContact CB-CD1 4.42Å; L346-L348 HydrophobicContact CB-CD2 4.39Å; L346-W395 HydrophobicContact CB-CB 4.31Å; L346-W395 HydrophobicContact CD2-CB 4.35Å; L346-V397 HydrophobicContact CG-CG2 4.45Å
347L63.5Low57.3Low3 Ų362.6 Ų62.62%0.01635%0.353CS..EExtended strand (participates in β ladder)trans-88.6112171178.666.3000110.3W330 Y331 V332 Y364 M366 W395 P396 I419W330-L347 HydrophobicContact CB-CD1 4.36Å; W330-L347 HydrophobicContact CE3-CD1 4.05Å; W330-L347 HydrophobicContact CE3-CD2 3.8Å; W330-L347 HydrophobicContact CE3-CG 3.97Å; W330-L347 HydrophobicContact CZ3-CD2 3.8Å; W330-L347 HydrophobicContact CZ3-CG 4.36Å; Y331-L347 CarbonylContact O-C 3.53Å; V332-L347 HydrophobicContact CG2-CD1 3.57Å; L347-Y364 HydrophobicContact CD2-CD2 4.13Å; L347-Y364 HydrophobicContact CD2-CE2 3.29Å; L347-M366 HydrophobicContact CB-CE 4.18Å; L347-M366 HydrophobicContact CB-SD 3.98Å; L347-M366 HydrophobicContact CD1-SD 3.75Å; L347-M366 HydrophobicContact CD2-CE 4.49Å; L347-M366 HydrophobicContact CD2-SD 3.84Å; L347-M366 HydrophobicContact CG-SD 4.07Å; L347-W395 VanDerWaalsContact O-CB 3.31Å; L347-W395 WeakPolarHBondContact O-CB 3.24Å; L347-P396 HydrophobicContact CB-CG 4.2Å; L347-P396 HydrophobicContact CD2-CG 4.35Å; L347-P396 PolarHBondContact N-O 3.26Å; L347-I419 HydrophobicContact CD1-CD1 3.68Å
348L61Low56.8Low40 Ų4067.2 Ų67.221%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-96.5146.6175.4-46.6176.9000110.4W330 Y331 E333 L346 W395W330-L348 CarbonylContact C-O 3.48Å; W330-L348 WeakPolarHBondContact CA-O 3.32Å; Y331-L348 HydrophobicContact CD2-CB 4.43Å; Y331-L348 PolarHBondContact N-O 3.38Å; Y331-L348 WeakPolarHBondContact O-CA 3.45Å; Y331-L348 PolarHBondContact O-N 3.25Å; Y331-L348 VanDerWaalsContact O-O 3.14Å; E333-L348 HydrophobicContact CB-CD1 4.32Å; L346-L348 HydrophobicContact CB-CD2 4.39Å; L348-W395 HydrophobicContact CB-CD2 4.45Å; L348-W395 HydrophobicContact CB-CE3 4.49Å; L348-W395 HydrophobicContact CB-CH2 4.48Å; L348-W395 HydrophobicContact CB-CZ2 4.47Å; L348-W395 HydrophobicContact CD2-CB 4.15Å; L348-W395 HydrophobicContact CD2-CD2 3.46Å; L348-W395 VanDerWaalsContact CD2-CD2 3.46Å; L348-W395 HydrophobicContact CD2-CE3 4.28Å; L348-W395 HydrophobicContact CD2-CG 3.39Å; L348-W395 HydrophobicContact CD2-CZ2 4.09Å
349A61.7Low56.6Low13 Ų1360.5 Ų60.511%0.10734%0.34CS..EExtended strand (participates in β ladder)trans-136.2125.3173.800000110.1Y328 E329 W330 I384 W395Y328-A349 HydrophobicContact CD1-CB 4.41Å; E329-A349 CarbonylContact O-C 3.58Å; E329-A349 WeakPolarHBondContact O-CA 3.46Å; W330-A349 HydrophobicContact CD2-CB 4.02Å; W330-A349 HydrophobicContact CE3-CB 3.78Å; W330-A349 HydrophobicContact CZ3-CB 4.23Å; A349-I384 HydrophobicContact CB-CG2 3.68Å; A349-W395 HydrophobicContact CB-CZ3 4.07Å; A349-W395 VanDerWaalsContact N-CH2 3.34Å; A349-W395 VanDerWaalsContact O-CH2 3.3Å; A349-W395 WeakPolarHBondContact O-CH2 3.41Å
350A60.1Low56.9Low34 Ų3453.3 Ų53.328%0.28131%0.307SS..EExtended strand (participates in β ladder)trans-118.6147.8177.300000110.7Y328 E329 Y331 C352Y328-A350 CarbonylContact C-O 3.5Å; Y328-A350 VanDerWaalsContact CA-O 3.27Å; Y328-A350 WeakPolarHBondContact CA-O 3.45Å; Y328-A350 WeakPolarHBondContact CD1-O 3.39Å; E329-A350 PolarHBondContact N-O 3.2Å; E329-A350 PolarHBondContact O-N 3.17Å; Y331-A350 HydrophobicContact CE2-CB 3.88Å; A350-C352 PolarHBondContact O-N 3.29Å
351P57.3Low57.2Low56 Ų5647.4 Ų47.436%0.36428%0.279SS..EExtended strand (participates in β ladder)trans-57.6138171.5-20.531.3000111.2G327 Y328 A357G327-P351 CarbonylContact O-C 3.57Å; G327-P351 WeakPolarHBondContact O-CA 3.27Å; Y328-P351 HydrophobicContact CE1-CG 4.2Å; P351-A357 HydrophobicContact CB-CB 4.02Å; P351-A357 HydrophobicContact CG-CB 4.39Å
352C58.7Low57.5Low20 Ų2043.3 Ų43.314%0.13526%0.258CS..  trans-69.9135.6172.8-178.90000109.6G327 E329 A350 D354 C355G327-C352 PolarHBondContact O-N 2.76Å; E329-C352 HydrophobicContact CG-CB 4.27Å; A350-C352 PolarHBondContact O-N 3.29Å; C352-D354 PolarHBondContact O-N 3.2Å; C352-D354 VanDerWaalsContact O-N 3.13Å; C352-C355 HydrophobicContact CB-CB 4.28Å; C352-C355 PolarHBondContact O-N 2.69Å
353A58.6Low57.7Low100 Ų10042.9 Ų42.983%0.82626%0.256SS*.THydrogen-bonded Turntrans-59.3-26.2-179.400000113.7
354D55.1Low57.8Low154 Ų15441.4 Ų41.482%0.82425%0.251SS*.THydrogen-bonded Turntrans-97.42.6-174.4-60.4-40.3000113.7C352C352-D354 PolarHBondContact O-N 3.2Å; C352-D354 VanDerWaalsContact O-N 3.13Å
355C48.3Very low58.1Low39 Ų3941.8 Ų41.826%0.26425%0.253SS..SBendtrans-121133.5-179.9-68.30000110.2G327 C352 A357G327-C355 PolarHBondContact N-SG 3.04Å; C352-C355 HydrophobicContact CB-CB 4.28Å; C352-C355 PolarHBondContact O-N 2.69Å; C355-A357 PolarHBondContact O-N 3.2Å
356D48Very low58.5Low137 Ų13741.8 Ų41.873%0.73325%0.253SS*.  trans-57.3116.9162.1-69.6-35.8000107.1F358D356-F358 HydrophobicContact CB-CZ 4.25Å; D356-F358 WeakPolarHBondContact O-CD2 3.36Å; D356-F358 WeakPolarHBondContact O-CE2 3.43Å; D356-F358 PolarHBondContact O-N 3.21Å
357A46.5Very low59Low63 Ų6341 Ų4152%0.52125%0.249SC..  trans-61.8100.7-173.700000109.8P351 C355P351-A357 HydrophobicContact CB-CB 4.02Å; P351-A357 HydrophobicContact CG-CB 4.39Å; C355-A357 PolarHBondContact O-N 3.2Å
358F48.4Very low59.3Low106 Ų10640.9 Ų40.947%0.46525%0.248SC..  trans-78136.8171.6-58.8-71.3000108.3Y328 D356 L360Y328-F358 VanDerWaalsContact CE2-O 3.3Å; Y328-F358 WeakPolarHBondContact CE2-O 3.27Å; Y328-F358 PolarHBondContact OH-O 2.64Å; D356-F358 HydrophobicContact CB-CZ 4.25Å; D356-F358 WeakPolarHBondContact O-CD2 3.36Å; D356-F358 WeakPolarHBondContact O-CE2 3.43Å; D356-F358 PolarHBondContact O-N 3.21Å; F358-L360 HydrophobicContact CB-CD2 4.22Å; F358-L360 WeakPolarHBondContact O-CG 3.44Å; F358-L360 PolarHBondContact O-N 3.28Å
359E52.7Low59.8Low20 Ų2040.5 Ų40.59%0.09325%0.247CC..  trans-67.4119.1171.1-43.5-172.5144.100107.9N385 Y388 V427 R498E359-N385 VanDerWaalsContact CG-ND2 3.29Å; E359-N385 WeakPolarHBondContact CG-ND2 3.36Å; E359-N385 PolarHBondContact OE1-ND2 2.81Å; E359-N385 VanDerWaalsContact OE1-ND2 3.09Å; E359-Y388 WeakPolarHBondContact OE1-CE2 3.33Å; E359-V427 HydrophobicContact CB-CB 3.84Å; E359-V427 HydrophobicContact CB-CG2 3.42Å; E359-V427 VanDerWaalsContact CB-CG2 3.42Å; E359-V427 HydrophobicContact CG-CB 4.32Å; E359-V427 HydrophobicContact CG-CG2 4.23Å; E359-V427 WeakPolarHBondContact O-CG2 3.37Å; E359-V427 PolarHBondContact O-N 3.06Å; E359-V427 WeakPolarHBondContact OE2-CG1 3.4Å; E359-V427 WeakPolarHBondContact OE2-CG2 3.14Å; E359-R498 WeakPolarHBondContact OE2-CD 3.45Å; E359-R498 IonicContact OE2-NE 2.65Å
360L56Low60.3Low9 Ų939.9 Ų39.95%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-114.1129.9-176.5-61.5171.3000110.3Y328 F358 V362 I384 L424 L425 T426Y328-L360 HydrophobicContact CD2-CD1 3.39Å; Y328-L360 HydrophobicContact CD2-CG 4.29Å; Y328-L360 HydrophobicContact CE2-CB 4.39Å; Y328-L360 HydrophobicContact CE2-CD1 3.58Å; Y328-L360 HydrophobicContact CE2-CG 3.98Å; F358-L360 HydrophobicContact CB-CD2 4.22Å; F358-L360 WeakPolarHBondContact O-CG 3.44Å; F358-L360 PolarHBondContact O-N 3.28Å; L360-V362 HydrophobicContact CB-CG2 3.88Å; L360-I384 PolarHBondContact O-N 3.19Å; L360-L424 HydrophobicContact CB-CD1 4Å; L360-L424 HydrophobicContact CD1-CD1 3.89Å; L360-L424 HydrophobicContact CD2-CD1 3.91Å; L360-L424 HydrophobicContact CD2-CD2 4.12Å; L360-L424 HydrophobicContact CD2-CG 3.92Å; L360-L424 HydrophobicContact CG-CD1 4.11Å; L360-L425 WeakPolarHBondContact CA-O 3.24Å; L360-T426 HydrophobicContact CD2-CG2 3.9Å
361L58.7Low60.8Low2 Ų240.1 Ų40.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-91.9122.2157.1-167.487000107.2C381 E382 I383 L425 Y499 V503 T505L361-C381 HydrophobicContact CD2-CB 3.91Å; L361-C381 HydrophobicContact CG-CB 4.35Å; L361-E382 WeakPolarHBondContact CA-O 3.26Å; L361-I383 HydrophobicContact CD1-CB 4.23Å; L361-I383 HydrophobicContact CD1-CG1 3.35Å; L361-L425 HydrophobicContact CB-CB 4.04Å; L361-L425 HydrophobicContact CB-CD1 4.25Å; L361-L425 HydrophobicContact CB-CG 4.44Å; L361-L425 HydrophobicContact CD2-CD1 3.57Å; L361-L425 HydrophobicContact CD2-CG 4.39Å; L361-L425 PolarHBondContact N-O 3.34Å; L361-L425 VanDerWaalsContact N-O 3.07Å; L361-L425 PolarHBondContact O-N 3.07Å; L361-Y499 HydrophobicContact CB-CD1 4.27Å; L361-Y499 HydrophobicContact CB-CE1 3.9Å; L361-V503 HydrophobicContact CD1-CG1 3.69Å; L361-V503 HydrophobicContact CD2-CB 4.26Å; L361-V503 HydrophobicContact CD2-CG1 3.36Å; L361-V503 HydrophobicContact CD2-CG2 3.85Å; L361-V503 HydrophobicContact CG-CG1 4.16Å; L361-T505 HydrophobicContact CD1-CG2 4.22Å
362V61.5Low61.4Low2 Ų244.6 Ų44.61%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-118.8126-174.2-164.20000109.7W330 L360 Y364 E382 I384 V421 E423 L424W330-V362 HydrophobicContact CH2-CB 4.16Å; W330-V362 HydrophobicContact CH2-CG1 3.98Å; W330-V362 HydrophobicContact CH2-CG2 4.25Å; W330-V362 HydrophobicContact CZ2-CB 4.34Å; W330-V362 HydrophobicContact CZ2-CG1 3.95Å; W330-V362 HydrophobicContact CZ2-CG2 4.09Å; L360-V362 HydrophobicContact CB-CG2 3.88Å; V362-Y364 HydrophobicContact CB-CD1 4.3Å; V362-Y364 HydrophobicContact CG1-CD1 4.04Å; V362-E382 PolarHBondContact N-O 2.79Å; V362-E382 PolarHBondContact O-N 2.96Å; V362-I384 HydrophobicContact CB-CD1 4.08Å; V362-I384 HydrophobicContact CG2-CD1 3.86Å; V362-I384 HydrophobicContact CG2-CG1 4.37Å; V362-V421 HydrophobicContact CG1-CB 4.39Å; V362-V421 HydrophobicContact CG1-CG1 3.71Å; V362-V421 HydrophobicContact CG1-CG2 3.89Å; V362-E423 WeakPolarHBondContact CA-O 3.17Å; V362-L424 HydrophobicContact CG1-CD1 4.35Å; V362-L424 HydrophobicContact CG2-CD1 3.85Å
363D64.5Low61.8Low24 Ų2445.9 Ų45.913%0.12827%0.267CS..EExtended strand (participates in β ladder)trans-94.2124.8159-72.310.8000106.9C381 V421 R422 E423D363-C381 WeakPolarHBondContact OD1-CA 3.47Å; D363-C381 PolarHBondContact OD1-N 2.93Å; D363-C381 PolarHBondContact OD1-SG 3.36Å; D363-V421 CarbonylContact O-C 3.58Å; D363-V421 WeakPolarHBondContact O-CA 3.31Å; D363-R422 HydrophobicContact CB-CB 3.95Å; D363-R422 PolarHBondContact O-N 2.9Å; D363-E423 HydrophobicContact CB-CB 3.84Å; D363-E423 PolarHBondContact N-O 3.39Å; D363-E423 PolarHBondContact O-N 2.99Å
364Y64.1Low62.5Low0 Ų049.4 Ų49.40%026%0.259CS..EExtended strand (participates in β ladder)trans-143.1152.7179.466.9-86.6000112.6W330 L347 V362 M366 V379 E382 I384 P396 I419 V420W330-Y364 AromaticContact CH2-CD1 3.79Å; W330-Y364 HydrophobicContact CH2-CD1 3.79Å; W330-Y364 AromaticContact CH2-CE1 3.99Å; W330-Y364 HydrophobicContact CH2-CE1 3.99Å; W330-Y364 HydrophobicContact CH2-CG 4.3Å; W330-Y364 HydrophobicContact CZ3-CD1 4.13Å; W330-Y364 AromaticContact CZ3-CE1 3.97Å; W330-Y364 HydrophobicContact CZ3-CE1 3.97Å; L347-Y364 HydrophobicContact CD2-CD2 4.13Å; L347-Y364 HydrophobicContact CD2-CE2 3.29Å; V362-Y364 HydrophobicContact CB-CD1 4.3Å; V362-Y364 HydrophobicContact CG1-CD1 4.04Å; Y364-M366 HydrophobicContact CD2-CB 4.16Å; Y364-M366 HydrophobicContact CE2-CB 4.19Å; Y364-V379 HydrophobicContact CD1-CB 4.23Å; Y364-V379 HydrophobicContact CE1-CB 3.68Å; Y364-V379 HydrophobicContact CE1-CG1 3.84Å; Y364-V379 HydrophobicContact CE1-CG2 4.17Å; Y364-V379 HydrophobicContact CE2-CB 4.01Å; Y364-V379 HydrophobicContact CE2-CG2 3.79Å; Y364-V379 VanDerWaalsContact CZ-CG2 3.49Å; Y364-V379 PolarHBondContact N-O 2.94Å; Y364-V379 PolarHBondContact O-N 3.49Å; Y364-V379 VanDerWaalsContact OH-CG2 3.23Å; Y364-V379 WeakPolarHBondContact OH-CG2 3.29Å; Y364-E382 PolarHBondContact OH-OE2 2.87Å; Y364-E382 VanDerWaalsContact OH-OE2 3.13Å; Y364-I384 HydrophobicContact CE1-CD1 4.46Å; Y364-P396 WeakPolarHBondContact OH-CG 3.36Å; Y364-I419 HydrophobicContact CD2-CG2 4.05Å; Y364-I419 HydrophobicContact CG-CG2 4.24Å; Y364-V420 CarbonylContact C-O 3.58Å; Y364-V420 VanDerWaalsContact CA-O 3.32Å; Y364-V420 WeakPolarHBondContact CA-O 3.38Å
365E69.6Low63.1Low34 Ų3444 Ų4416%0.15923%0.231CC..EExtended strand (participates in β ladder)trans-112.4114.1170.6170.8177.1140.800107.9K376 L377 V378 I419 V420 R422E365-K376 HydrophobicContact CG-CD 4.44Å; E365-K376 HydrophobicContact CG-CG 4.3Å; E365-K376 WeakPolarHBondContact OE1-CE 3.21Å; E365-K376 IonicContact OE1-NZ 2.64Å; E365-K376 PolarHBondContact OE1-NZ 2.97Å; E365-K376 WeakPolarHBondContact OE2-CE 3.2Å; E365-K376 IonicContact OE2-NZ 2.74Å; E365-K376 PolarHBondContact OE2-NZ 2.92Å; E365-L377 CarbonylContact C-O 3.5Å; E365-L377 WeakPolarHBondContact CA-O 3.44Å; E365-V378 HydrophobicContact CG-CG2 4.32Å; E365-I419 CarbonylContact O-C 3.55Å; E365-I419 WeakPolarHBondContact O-CA 3.39Å; E365-V420 HydrophobicContact CB-CB 4.31Å; E365-V420 PolarHBondContact N-O 3.14Å; E365-V420 PolarHBondContact O-N 2.94Å; E365-R422 IonicContact OE2-CZ 3.61Å; E365-R422 IonicContact OE2-NE 3.72Å; E365-R422 IonicContact OE2-NH2 2.69Å; E365-R422 PolarHBondContact OE2-NH2 2.88Å
366M71.9Confident64.1Low0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-101.1121.8174.8-180179.866.100109.4V332 L347 Y364 V368 K376 L377 L398 V417 H418 I419V332-M366 HydrophobicContact CG2-SD 3.64Å; L347-M366 HydrophobicContact CB-CE 4.18Å; L347-M366 HydrophobicContact CB-SD 3.98Å; L347-M366 HydrophobicContact CD1-SD 3.75Å; L347-M366 HydrophobicContact CD2-CE 4.49Å; L347-M366 HydrophobicContact CD2-SD 3.84Å; L347-M366 HydrophobicContact CG-SD 4.07Å; Y364-M366 HydrophobicContact CD2-CB 4.16Å; Y364-M366 HydrophobicContact CE2-CB 4.19Å; M366-V368 HydrophobicContact CE-CG2 3.77Å; M366-V368 HydrophobicContact CG-CG2 3.74Å; M366-V368 HydrophobicContact SD-CG2 3.7Å; M366-K376 CarbonylContact O-C 3.58Å; M366-K376 WeakPolarHBondContact O-CA 3.36Å; M366-L377 HydrophobicContact CB-CB 4.26Å; M366-L377 HydrophobicContact CE-CB 4.12Å; M366-L377 HydrophobicContact CE-CD2 3.95Å; M366-L377 PolarHBondContact N-O 2.82Å; M366-L377 PolarHBondContact O-N 3.38Å; M366-L398 HydrophobicContact CE-CB 4.36Å; M366-V417 HydrophobicContact CG-CG1 3.88Å; M366-V417 HydrophobicContact SD-CG1 4.1Å; M366-H418 CarbonylContact C-O 3.32Å; M366-H418 WeakPolarHBondContact CA-O 3.33Å; M366-I419 HydrophobicContact CB-CG1 4.35Å; M366-I419 HydrophobicContact CG-CG1 4.09Å
367T72.6Confident65Low5 Ų542.7 Ų42.73%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-101.5123.4164.9-64.60000108.2R374 V417 H418T367-R374 HydrophobicContact CG2-CG 3.61Å; T367-V417 CarbonylContact O-C 3.58Å; T367-V417 WeakPolarHBondContact O-CA 3.39Å; T367-H418 PolarHBondContact N-O 3.41Å; T367-H418 PolarHBondContact O-N 2.87Å
368V71.1Confident65.8Low1 Ų142.2 Ų42.21%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-112.8131.7171-1720000109.3L345 M366 R374 T375 L415 S416 V417L345-V368 HydrophobicContact CD1-CB 3.82Å; L345-V368 HydrophobicContact CD1-CG1 3.46Å; L345-V368 VanDerWaalsContact CD1-CG1 3.46Å; L345-V368 HydrophobicContact CD1-CG2 4.13Å; L345-V368 HydrophobicContact CD2-CG1 4.31Å; M366-V368 HydrophobicContact CE-CG2 3.77Å; M366-V368 HydrophobicContact CG-CG2 3.74Å; M366-V368 HydrophobicContact SD-CG2 3.7Å; V368-R374 CarbonylContact O-C 3.53Å; V368-R374 WeakPolarHBondContact O-CA 3.31Å; V368-T375 PolarHBondContact N-O 3.06Å; V368-T375 PolarHBondContact O-N 2.99Å; V368-L415 HydrophobicContact CG1-CD1 3.3Å; V368-S416 CarbonylContact C-O 3.55Å; V368-S416 WeakPolarHBondContact CA-O 3.46Å; V368-V417 HydrophobicContact CG1-CG2 4.17Å; V368-V417 HydrophobicContact CG2-CG1 4.33Å; V368-V417 HydrophobicContact CG2-CG2 4.31Å
369T70.6Confident66.4Low31 Ų3138.3 Ų38.319%0.1919%0.192CC..EExtended strand (participates in β ladder)trans-112.2116.8169.6-44.10000107.8V373 R374 L415 S416T369-V373 WeakPolarHBondContact CA-O 3.5Å; T369-R374 HydrophobicContact CG2-CB 4.4Å; T369-L415 WeakPolarHBondContact O-CA 3.38Å; T369-S416 WeakPolarHBondContact CB-OG 3.19Å; T369-S416 PolarHBondContact N-O 2.96Å; T369-S416 PolarHBondContact O-N 2.87Å
370L71.6Confident66.7Low1 Ų141.7 Ų41.71%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-120.5118.2177.4-17965.2000107.8R343 N372 V373 C413 L415R343-L370 HydrophobicContact CB-CD2 4.28Å; L370-N372 PolarHBondContact O-N 3.16Å; L370-N372 VanDerWaalsContact O-N 3.11Å; L370-V373 PolarHBondContact N-O 2.99Å; L370-V373 WeakPolarHBondContact O-CA 3.29Å; L370-V373 WeakPolarHBondContact O-CB 3.43Å; L370-V373 PolarHBondContact O-N 3.37Å; L370-C413 HydrophobicContact CD1-CB 4.14Å; L370-L415 HydrophobicContact CD1-CB 4.35Å; L370-L415 HydrophobicContact CD1-CD1 4.19Å
371D71.1Confident66.7Low39 Ų3942.6 Ų42.621%0.20922%0.217CC..THydrogen-bonded Turntrans50.738.3178-58.4-25000114.1R343 V373 C413 S414R343-D371 IonicContact CZ-OD2 3.94Å; R343-D371 IonicContact NH1-OD2 3.76Å; R343-D371 PolarHBondContact NH1-OD2 3.43Å; R343-D371 IonicContact NH2-OD2 2.66Å; D371-V373 VanDerWaalsContact C-N 3.31Å; D371-C413 WeakPolarHBondContact OD1-CA 3.2Å; D371-C413 WeakPolarHBondContact OD1-CB 3.31Å; D371-S414 PolarHBondContact N-O 3.31Å; D371-S414 VanDerWaalsContact N-O 3.11Å; D371-S414 PolarHBondContact OD1-N 3.22Å
372N69.4Low66.7Low149 Ų14944.9 Ų44.980%0.79723%0.228SC*.THydrogen-bonded Turntrans77.4-4.7-173.8-47.5-68000116.4L370 R374L370-N372 PolarHBondContact O-N 3.16Å; L370-N372 VanDerWaalsContact O-N 3.11Å; N372-R374 PolarHBondContact O-N 3.44Å
373V67.3Low66.5Low47 Ų4747.2 Ų47.229%0.28524%0.24SC..EExtended strand (participates in β ladder)trans-84.4110.4171.5-179.40000109.6T369 L370 D371 V400 E402T369-V373 WeakPolarHBondContact CA-O 3.5Å; L370-V373 PolarHBondContact N-O 2.99Å; L370-V373 WeakPolarHBondContact O-CA 3.29Å; L370-V373 WeakPolarHBondContact O-CB 3.43Å; L370-V373 PolarHBondContact O-N 3.37Å; D371-V373 VanDerWaalsContact C-N 3.31Å; V373-V400 HydrophobicContact CB-CG1 4.33Å; V373-V400 HydrophobicContact CG1-CG1 3.82Å; V373-E402 HydrophobicContact CG2-CG 3.75Å; V373-E402 WeakPolarHBondContact CG2-OE1 3.44Å
374R72.8Confident65.9Low174 Ų17446.5 Ų46.566%0.65724%0.236SC*.EExtended strand (participates in β ladder)trans-92.3119.1177.6-172.9178.6174.9165.98.1110.2T367 V368 T369 N372T367-R374 HydrophobicContact CG2-CG 3.61Å; V368-R374 CarbonylContact O-C 3.53Å; V368-R374 WeakPolarHBondContact O-CA 3.31Å; T369-R374 HydrophobicContact CG2-CB 4.4Å; N372-R374 PolarHBondContact O-N 3.44Å
375T67.9Low65.1Low40 Ų4047 Ų4725%0.24524%0.239CC..EExtended strand (participates in β ladder)trans-122.4146.5175-430000110.3V368 L398V368-T375 PolarHBondContact N-O 3.06Å; V368-T375 PolarHBondContact O-N 2.99Å; T375-L398 HydrophobicContact CG2-CD1 4.01Å; T375-L398 HydrophobicContact CG2-CD2 3.61Å; T375-L398 HydrophobicContact CG2-CG 4.13Å
376K70.1Confident63.9Low112 Ų11249.5 Ų49.549%0.48726%0.26SS..EExtended strand (participates in β ladder)trans-123.4122-172.3-178.1176.61671550110.6E365 M366 V378E365-K376 HydrophobicContact CG-CD 4.44Å; E365-K376 HydrophobicContact CG-CG 4.3Å; E365-K376 WeakPolarHBondContact OE1-CE 3.21Å; E365-K376 IonicContact OE1-NZ 2.64Å; E365-K376 PolarHBondContact OE1-NZ 2.97Å; E365-K376 WeakPolarHBondContact OE2-CE 3.2Å; E365-K376 IonicContact OE2-NZ 2.74Å; E365-K376 PolarHBondContact OE2-NZ 2.92Å; M366-K376 CarbonylContact O-C 3.58Å; M366-K376 WeakPolarHBondContact O-CA 3.36Å; K376-V378 HydrophobicContact CG-CG2 4.44Å
377L67.4Low62.6Low37 Ų3759.2 Ų59.219%0.19430%0.296CS..EExtended strand (participates in β ladder)trans-98.3137.1166.5-160.558.7000109.4E365 M366 V379 P396 L398E365-L377 CarbonylContact C-O 3.5Å; E365-L377 WeakPolarHBondContact CA-O 3.44Å; M366-L377 HydrophobicContact CB-CB 4.26Å; M366-L377 HydrophobicContact CE-CB 4.12Å; M366-L377 HydrophobicContact CE-CD2 3.95Å; M366-L377 PolarHBondContact N-O 2.82Å; M366-L377 PolarHBondContact O-N 3.38Å; L377-V379 HydrophobicContact CD2-CG2 3.69Å; L377-V379 HydrophobicContact CG-CG2 3.76Å; L377-P396 HydrophobicContact CD2-CB 3.58Å; L377-L398 HydrophobicContact CB-CD1 3.47Å; L377-L398 VanDerWaalsContact CB-CD1 3.47Å; L377-L398 HydrophobicContact CD1-CD1 4.14Å; L377-L398 HydrophobicContact CG-CD1 4.26Å
378V62.5Low61.1Low54 Ų5464.9 Ų64.933%0.32732%0.318SS..EExtended strand (participates in β ladder)trans-121122166.8177.50000106.5E365 K376E365-V378 HydrophobicContact CG-CG2 4.32Å; K376-V378 HydrophobicContact CG-CG2 4.44Å
379V61.1Low59.6Low23 Ų2365.9 Ų65.914%0.13932%0.323CS..EExtended strand (participates in β ladder)trans-114.5119.1177.5-179.20000108.5Y364 L377 E382 P396Y364-V379 HydrophobicContact CD1-CB 4.23Å; Y364-V379 HydrophobicContact CE1-CB 3.68Å; Y364-V379 HydrophobicContact CE1-CG1 3.84Å; Y364-V379 HydrophobicContact CE1-CG2 4.17Å; Y364-V379 HydrophobicContact CE2-CB 4.01Å; Y364-V379 HydrophobicContact CE2-CG2 3.79Å; Y364-V379 VanDerWaalsContact CZ-CG2 3.49Å; Y364-V379 PolarHBondContact N-O 2.94Å; Y364-V379 PolarHBondContact O-N 3.49Å; Y364-V379 VanDerWaalsContact OH-CG2 3.23Å; Y364-V379 WeakPolarHBondContact OH-CG2 3.29Å; L377-V379 HydrophobicContact CD2-CG2 3.69Å; L377-V379 HydrophobicContact CG-CG2 3.76Å; V379-E382 HydrophobicContact CG1-CB 3.9Å; V379-P396 HydrophobicContact CG2-CB 4.49Å
380D58.4Low58.3Low91 Ų9166.4 Ų66.449%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-96.3111.4178.7-55.8-43.8000108.2
381C56.5Low56.9Low29 Ų2975.3 Ų75.320%0.19637%0.369CS..EExtended strand (participates in β ladder)trans5489.1175.6-75.90000115.7L361 D363L361-C381 HydrophobicContact CD2-CB 3.91Å; L361-C381 HydrophobicContact CG-CB 4.35Å; D363-C381 WeakPolarHBondContact OD1-CA 3.47Å; D363-C381 PolarHBondContact OD1-N 2.93Å; D363-C381 PolarHBondContact OD1-SG 3.36Å
382E59.6Low55.5Low49 Ų4976 Ų7623%0.22937%0.372CS..EExtended strand (participates in β ladder)trans-115.7131172.5-168.4164.6-152.200112L361 V362 Y364 V379 I384L361-E382 WeakPolarHBondContact CA-O 3.26Å; V362-E382 PolarHBondContact N-O 2.79Å; V362-E382 PolarHBondContact O-N 2.96Å; Y364-E382 PolarHBondContact OH-OE2 2.87Å; Y364-E382 VanDerWaalsContact OH-OE2 3.13Å; V379-E382 HydrophobicContact CG1-CB 3.9Å; E382-I384 HydrophobicContact CG-CG1 4.3Å; E382-I384 PolarHBondContact O-N 2.95Å
383I55.8Low54.2Low52 Ų5271.9 Ų71.927%0.26735%0.349SS..EExtended strand (participates in β ladder)trans-78.3115.5173-62.7174.4000106.3L361 N385 I389 T505L361-I383 HydrophobicContact CD1-CB 4.23Å; L361-I383 HydrophobicContact CD1-CG1 3.35Å; I383-N385 HydrophobicContact CG2-CB 4.26Å; I383-I389 VanDerWaalsContact O-CD1 3.29Å; I383-I389 WeakPolarHBondContact O-CD1 3.39Å; I383-T505 HydrophobicContact CD1-CG2 4.5Å; I383-T505 HydrophobicContact CG1-CG2 4.4Å
384I53.6Low53.3Low9 Ų974 Ų745%0.04637%0.365CS..EExtended strand (participates in β ladder)trans-107.787.9178.5-57.7-179000107.7Y328 W330 A349 L360 V362 Y364 E382Y328-I384 HydrophobicContact CD1-CG2 4.12Å; Y328-I384 HydrophobicContact CE1-CG2 3.94Å; Y328-I384 PolarHBondContact OH-O 3.37Å; W330-I384 HydrophobicContact CE3-CD1 4.49Å; W330-I384 HydrophobicContact CH2-CD1 2.95Å; W330-I384 HydrophobicContact CH2-CG1 4.45Å; W330-I384 HydrophobicContact CZ2-CD1 3.74Å; W330-I384 HydrophobicContact CZ3-CD1 3.38Å; A349-I384 HydrophobicContact CB-CG2 3.68Å; L360-I384 PolarHBondContact O-N 3.19Å; V362-I384 HydrophobicContact CB-CD1 4.08Å; V362-I384 HydrophobicContact CG2-CD1 3.86Å; V362-I384 HydrophobicContact CG2-CG1 4.37Å; Y364-I384 HydrophobicContact CE1-CD1 4.46Å; E382-I384 HydrophobicContact CG-CG1 4.3Å; E382-I384 PolarHBondContact O-N 2.95Å
385N47.2Very low52.3Low11 Ų1169 Ų696%0.05935%0.347CS..  trans-143.7116.7175.3-174.8-14.3000109.7E359 I383 R387 Y388 I389E359-N385 VanDerWaalsContact CG-ND2 3.29Å; E359-N385 WeakPolarHBondContact CG-ND2 3.36Å; E359-N385 PolarHBondContact OE1-ND2 2.81Å; E359-N385 VanDerWaalsContact OE1-ND2 3.09Å; I383-N385 HydrophobicContact CG2-CB 4.26Å; N385-R387 PolarHBondContact O-N 3.24Å; N385-R387 VanDerWaalsContact O-N 3.15Å; N385-R387 WeakPolarHBondContact OD1-CB 3.39Å; N385-R387 PolarHBondContact OD1-N 3.16Å; N385-Y388 HydrophobicContact CB-CD2 4.12Å; N385-Y388 WeakPolarHBondContact ND2-CD2 3.27Å; N385-Y388 WeakPolarHBondContact ND2-CE2 3.37Å; N385-Y388 PolarHBondContact O-N 3.03Å; N385-I389 WeakPolarHBondContact O-CB 3.2Å; N385-I389 WeakPolarHBondContact O-CG1 3.41Å; N385-I389 PolarHBondContact O-N 3.29Å
386S44.6Very low51.6Low86 Ų8668 Ų6860%0.60134%0.34SS*.THydrogen-bonded Turntrans-63-15.7178.553.70000114.2Y388S386-Y388 VanDerWaalsContact C-N 3.32Å
387R42.6Very low50.8Low203 Ų20365.7 Ų65.777%0.76634%0.335SS*.THydrogen-bonded Turntrans-71.4-24.6170.6-76.8-173.6-178.2167.22.2113.6N385N385-R387 PolarHBondContact O-N 3.24Å; N385-R387 VanDerWaalsContact O-N 3.15Å; N385-R387 WeakPolarHBondContact OD1-CB 3.39Å; N385-R387 PolarHBondContact OD1-N 3.16Å
388Y42.6Very low50.3Low125 Ų12564.4 Ų64.449%0.4933%0.329SS..THydrogen-bonded Turntrans-121.6-17.3-175-57.5-68.7000113.6E359 N385 S386E359-Y388 WeakPolarHBondContact OE1-CE2 3.33Å; N385-Y388 HydrophobicContact CB-CD2 4.12Å; N385-Y388 WeakPolarHBondContact ND2-CD2 3.27Å; N385-Y388 WeakPolarHBondContact ND2-CE2 3.37Å; N385-Y388 PolarHBondContact O-N 3.03Å; S386-Y388 VanDerWaalsContact C-N 3.32Å
389I39.5Very low50.1Low22 Ų2268.8 Ų68.811%0.11334%0.339CS..SBendtrans-86.4104.5164.5-62.6174.2000105.3I383 N385 D393I383-I389 VanDerWaalsContact O-CD1 3.29Å; I383-I389 WeakPolarHBondContact O-CD1 3.39Å; N385-I389 WeakPolarHBondContact O-CB 3.2Å; N385-I389 WeakPolarHBondContact O-CG1 3.41Å; N385-I389 PolarHBondContact O-N 3.29Å; I389-D393 HydrophobicContact CB-CB 4.5Å; I389-D393 HydrophobicContact CG2-CB 3.75Å
390S42.4Very low49.9Very low41 Ų4167.8 Ų67.829%0.28733%0.334SS..  trans-60.9153.9163.3640000108.4E392 D393S390-E392 PolarHBondContact O-N 3.43Å; S390-E392 WeakPolarHBondContact OG-CB 3.41Å; S390-E392 WeakPolarHBondContact OG-CG 3.34Å; S390-D393 PolarHBondContact O-N 2.78Å
391E42.2Very low49.8Very low188 Ų18867.5 Ų67.588%0.87934%0.339SS*.THydrogen-bonded Turntrans-52-13.2172.6-74.5-177.8162.400113.1
392E42.9Very low49.6Very low55 Ų5568.8 Ų68.826%0.25734%0.342SS..THydrogen-bonded Turntrans-83.8-23179.3-28.8-158.1127.300114.5N121 K123 S390 C394N121-E392 PolarHBondContact ND2-OE2 3.21Å; K123-E392 HydrophobicContact CD-CB 3.85Å; K123-E392 HydrophobicContact CD-CG 3.86Å; K123-E392 WeakPolarHBondContact CD-OE1 3.45Å; K123-E392 VanDerWaalsContact CE-OE1 3.22Å; K123-E392 WeakPolarHBondContact CE-OE1 3.24Å; K123-E392 WeakPolarHBondContact CG-OE1 3.35Å; K123-E392 VanDerWaalsContact NZ-CD 3.31Å; K123-E392 IonicContact NZ-OE1 2.74Å; K123-E392 PolarHBondContact NZ-OE1 2.8Å; S390-E392 PolarHBondContact O-N 3.43Å; S390-E392 WeakPolarHBondContact OG-CB 3.41Å; S390-E392 WeakPolarHBondContact OG-CG 3.34Å; E392-C394 VanDerWaalsContact C-N 3.28Å; E392-C394 PolarHBondContact O-N 2.88Å
393D42.4Very low49.2Very low61 Ų6171.4 Ų71.433%0.32636%0.363SS..SBendtrans-78.485.8-178.5-88.9-36.3000109.1I389 S390 W395 K507I389-D393 HydrophobicContact CB-CB 4.5Å; I389-D393 HydrophobicContact CG2-CB 3.75Å; S390-D393 PolarHBondContact O-N 2.78Å; D393-W395 PolarHBondContact O-N 2.65Å; D393-W395 VanDerWaalsContact O-N 3.1Å; D393-K507 IonicContact OD1-NZ 2.74Å; D393-K507 PolarHBondContact OD1-NZ 2.92Å; D393-K507 IonicContact OD2-NZ 3.26Å; D393-K507 PolarHBondContact OD2-NZ 3.48Å
394C46.8Very low48.7Very low91 Ų9169.9 Ų69.962%0.61536%0.357SS*.  trans-30107.5-175.5-66.70000112.9E392E392-C394 VanDerWaalsContact C-N 3.28Å; E392-C394 PolarHBondContact O-N 2.88Å
395W51.9Low48.2Very low71 Ų7178.9 Ų78.927%0.26939%0.39SS..  trans-39.8137.3158.5-61.1106.7000110.2L346 L347 L348 A349 D393 V397L346-W395 HydrophobicContact CB-CB 4.31Å; L346-W395 HydrophobicContact CD2-CB 4.35Å; L347-W395 VanDerWaalsContact O-CB 3.31Å; L347-W395 WeakPolarHBondContact O-CB 3.24Å; L348-W395 HydrophobicContact CB-CD2 4.45Å; L348-W395 HydrophobicContact CB-CE3 4.49Å; L348-W395 HydrophobicContact CB-CH2 4.48Å; L348-W395 HydrophobicContact CB-CZ2 4.47Å; L348-W395 HydrophobicContact CD2-CB 4.15Å; L348-W395 HydrophobicContact CD2-CD2 3.46Å; L348-W395 VanDerWaalsContact CD2-CD2 3.46Å; L348-W395 HydrophobicContact CD2-CE3 4.28Å; L348-W395 HydrophobicContact CD2-CG 3.39Å; L348-W395 HydrophobicContact CD2-CZ2 4.09Å; A349-W395 HydrophobicContact CB-CZ3 4.07Å; A349-W395 VanDerWaalsContact N-CH2 3.34Å; A349-W395 VanDerWaalsContact O-CH2 3.3Å; A349-W395 WeakPolarHBondContact O-CH2 3.41Å; D393-W395 PolarHBondContact O-N 2.65Å; D393-W395 VanDerWaalsContact O-N 3.1Å; W395-V397 VanDerWaalsContact O-CG2 3.25Å; W395-V397 WeakPolarHBondContact O-CG2 3.26Å; W395-V397 PolarHBondContact O-N 3.04Å
396P53.4Low48Very low18 Ų1882.7 Ų82.712%0.11741%0.414CS..  trans-50.3113.8-179.8-9.97.7000110.2L347 Y364 L377 V379L347-P396 HydrophobicContact CB-CG 4.2Å; L347-P396 HydrophobicContact CD2-CG 4.35Å; L347-P396 PolarHBondContact N-O 3.26Å; Y364-P396 WeakPolarHBondContact OH-CG 3.36Å; L377-P396 HydrophobicContact CD2-CB 3.58Å; V379-P396 HydrophobicContact CG2-CB 4.49Å
397V54.3Low48Very low63 Ų6383.1 Ų83.138%0.38242%0.415SS..EExtended strand (participates in β ladder)trans-93.9116.2-179.5-174.90000108.4E344 L345 L346 W395 R399E344-V397 HydrophobicContact CB-CG1 4.04Å; E344-V397 HydrophobicContact CG-CG1 3.93Å; L345-V397 WeakPolarHBondContact O-CA 3.5Å; L346-V397 HydrophobicContact CG-CG2 4.45Å; W395-V397 VanDerWaalsContact O-CG2 3.25Å; W395-V397 WeakPolarHBondContact O-CG2 3.26Å; W395-V397 PolarHBondContact O-N 3.04Å; V397-R399 HydrophobicContact CG1-CG 4.46Å
398L55.6Low48.2Very low10 Ų1082 Ų825%0.05242%0.418CS..EExtended strand (participates in β ladder)trans-104.1121.6169-173142.6000109.1L345 M366 T375 L377 V400L345-L398 HydrophobicContact CB-CB 4.45Å; L345-L398 WeakPolarHBondContact CB-O 3.37Å; L345-L398 HydrophobicContact CD1-CD2 3.84Å; L345-L398 PolarHBondContact N-O 3.03Å; L345-L398 PolarHBondContact O-N 3.17Å; M366-L398 HydrophobicContact CE-CB 4.36Å; T375-L398 HydrophobicContact CG2-CD1 4.01Å; T375-L398 HydrophobicContact CG2-CD2 3.61Å; T375-L398 HydrophobicContact CG2-CG 4.13Å; L377-L398 HydrophobicContact CB-CD1 3.47Å; L377-L398 VanDerWaalsContact CB-CD1 3.47Å; L377-L398 HydrophobicContact CD1-CD1 4.14Å; L377-L398 HydrophobicContact CG-CD1 4.26Å; L398-V400 HydrophobicContact CD2-CG2 3.6Å
399R59.1Low48.4Very low146 Ų14682.1 Ų82.155%0.55142%0.423SS*.EExtended strand (participates in β ladder)trans-90.8128.7177.8-72.6-177.9178.2158.42110.3E344 V397E344-R399 HydrophobicContact CG-CG 3.95Å; E344-R399 IonicContact OE1-CZ 2.92Å; E344-R399 IonicContact OE1-NE 3.69Å; E344-R399 PolarHBondContact OE1-NE 3.17Å; E344-R399 IonicContact OE1-NH2 3.17Å; E344-R399 PolarHBondContact OE1-NH2 3.11Å; E344-R399 VanDerWaalsContact OE1-NH2 3.16Å; V397-R399 HydrophobicContact CG1-CG 4.46Å
400V57.2Low48.7Very low3 Ų384.3 Ų84.32%0.01844%0.438CS..EExtended strand (participates in β ladder)trans-113.3113.5173.7-1750000108.3R343 L345 V373 L398 E402R343-V400 PolarHBondContact N-O 2.94Å; R343-V400 PolarHBondContact O-N 3.41Å; L345-V400 HydrophobicContact CD1-CG2 3.52Å; L345-V400 HydrophobicContact CG-CG2 4.4Å; V373-V400 HydrophobicContact CB-CG1 4.33Å; V373-V400 HydrophobicContact CG1-CG1 3.82Å; L398-V400 HydrophobicContact CD2-CG2 3.6Å; V400-E402 PolarHBondContact O-N 2.75Å
401S55.9Low49.1Very low85 Ų8590.1 Ų90.159%0.59446%0.458SS*.  trans-84.494.4177.7-46.80000109.6E342E342-S401 WeakPolarHBondContact OE1-CB 3.33Å; E342-S401 PolarHBondContact OE1-OG 3.24Å
402E51.9Low49.7Very low55 Ų5588.5 Ų88.526%0.25746%0.455SS..  trans-126.9140.4166.4-105-158.6150.800110.5V373 V400 C404V373-E402 HydrophobicContact CG2-CG 3.75Å; V373-E402 WeakPolarHBondContact CG2-OE1 3.44Å; V400-E402 PolarHBondContact O-N 2.75Å; E402-C404 PolarHBondContact O-N 3.33Å
403P51.4Low50.5Low104 Ų10486.9 Ų86.968%0.67545%0.449SS*.  trans-65.399.5177.127.4-33.6000110.7R405P403-R405 PolarHBondContact O-N 3.05Å
404C44.3Very low51.6Low20 Ų2087.3 Ų87.314%0.13546%0.458CS..  trans-61110.5178-146.50000110.3N341 E402 T406N341-C404 PolarHBondContact ND2-N 2.95Å; N341-C404 PolarHBondContact ND2-O 3.03Å; E402-C404 PolarHBondContact O-N 3.33Å; C404-T406 PolarHBondContact O-N 2.9Å
405R44.3Very low52.7Low199 Ų19984.4 Ų84.475%0.75144%0.436SS*.  trans-88.1101.4170-70.5-174.2-177.4-174.32.3108.9P403P403-R405 PolarHBondContact O-N 3.05Å
406T42.5Very low53.5Low90 Ų9083.4 Ų83.455%0.55244%0.439SS*.  trans55.4149.6168.541.70000118.7C404 E408C404-T406 PolarHBondContact O-N 2.9Å; T406-E408 VanDerWaalsContact C-N 3.27Å; T406-E408 PolarHBondContact O-N 3.39Å
407P45.6Very low54.2Low96 Ų9683.4 Ų83.462%0.62344%0.439SS*.G310 helixtrans-69.5-17.8-173.1-16.831.4000115.1T410P407-T410 PolarHBondContact O-OG1 3.01Å
408E45.7Very low55Low178 Ų17885.5 Ų85.583%0.83245%0.445SS*.G310 helixtrans-81.4-18.2-171.7-70.8162.8171.900113.3T406T406-E408 VanDerWaalsContact C-N 3.27Å; T406-E408 PolarHBondContact O-N 3.39Å
409E46.4Very low55.6Low128 Ų12885.4 Ų85.460%0.59844%0.444SS*.G310 helixtrans-88.2-3.7-179.1-69.8-176.417100114K411 D412E409-K411 PolarHBondContact O-N 2.88Å; E409-D412 PolarHBondContact O-N 3.04Å
410T47.6Very low55.9Low68 Ų6882.4 Ų82.442%0.41744%0.442SS..G310 helixtrans-66.6-5.4-18053.10000114.5P407P407-T410 PolarHBondContact O-OG1 3.01Å
411K50.4Low56.2Low163 Ų16383.9 Ų83.971%0.70945%0.45SS*.G310 helixtrans-76.7-21.4176.8-80.2-174.4175.91790114.3E409E409-K411 PolarHBondContact O-N 2.88Å
412D53.6Low56.6Low155 Ų15585.7 Ų85.783%0.82944%0.444SS*.G310 helixtrans-117.131-172.5-71.1-22.2000112.9E409E409-D412 PolarHBondContact O-N 3.04Å
413C59.6Low57.1Low20 Ų2086.1 Ų86.114%0.13545%0.446CS..  trans-77.9131.9175.768.40000111.6H319 L370 D371 L415H319-C413 PolarHBondContact CD2-SG 3.14Å; L370-C413 HydrophobicContact CD1-CB 4.14Å; D371-C413 WeakPolarHBondContact OD1-CA 3.2Å; D371-C413 WeakPolarHBondContact OD1-CB 3.31Å; C413-L415 PolarHBondContact O-N 3.1Å
414S66.7Low57.7Low71 Ų7184.7 Ų84.750%0.49743%0.433SS..  trans-89.799.7174.971.30000108.9D371D371-S414 PolarHBondContact N-O 3.31Å; D371-S414 VanDerWaalsContact N-O 3.11Å; D371-S414 PolarHBondContact OD1-N 3.22Å
415L68.4Low58.6Low29 Ų2984.8 Ų84.815%0.15243%0.432CS..EExtended strand (participates in β ladder)trans-98.4119.9174179.766.4000110H319 V332 L345 V368 T369 L370 C413 V417H319-L415 HydrophobicContact CB-CB 4.34Å; H319-L415 HydrophobicContact CB-CD2 4.04Å; H319-L415 WeakPolarHBondContact O-CD2 3.13Å; V332-L415 HydrophobicContact CG1-CD2 4.45Å; L345-L415 HydrophobicContact CD2-CD1 3.96Å; V368-L415 HydrophobicContact CG1-CD1 3.3Å; T369-L415 WeakPolarHBondContact O-CA 3.38Å; L370-L415 HydrophobicContact CD1-CB 4.35Å; L370-L415 HydrophobicContact CD1-CD1 4.19Å; C413-L415 PolarHBondContact O-N 3.1Å; L415-V417 HydrophobicContact CD1-CG2 4.29Å; L415-V417 HydrophobicContact CG-CG2 4.27Å
416S69.6Low59.6Low50 Ų5079.2 Ų79.235%0.3542%0.42SS..EExtended strand (participates in β ladder)trans-123.4140.3166.272.50000110.9V368 T369V368-S416 CarbonylContact C-O 3.55Å; V368-S416 WeakPolarHBondContact CA-O 3.46Å; T369-S416 WeakPolarHBondContact CB-OG 3.19Å; T369-S416 PolarHBondContact N-O 2.96Å; T369-S416 PolarHBondContact O-N 2.87Å
417V69.2Low60.8Low18 Ų1876.4 Ų76.411%0.10940%0.403CS..EExtended strand (participates in β ladder)trans-129.3135.8-177-176.20000108.4A321 V332 M366 T367 V368 L415 I419A321-V417 HydrophobicContact CB-CB 3.69Å; A321-V417 HydrophobicContact CB-CG2 3.74Å; V332-V417 HydrophobicContact CB-CG2 3.72Å; V332-V417 HydrophobicContact CG1-CG2 4.26Å; V332-V417 HydrophobicContact CG2-CB 4.19Å; V332-V417 HydrophobicContact CG2-CG1 3.63Å; V332-V417 HydrophobicContact CG2-CG2 3.57Å; M366-V417 HydrophobicContact CG-CG1 3.88Å; M366-V417 HydrophobicContact SD-CG1 4.1Å; T367-V417 CarbonylContact O-C 3.58Å; T367-V417 WeakPolarHBondContact O-CA 3.39Å; V368-V417 HydrophobicContact CG1-CG2 4.17Å; V368-V417 HydrophobicContact CG2-CG1 4.33Å; V368-V417 HydrophobicContact CG2-CG2 4.31Å; L415-V417 HydrophobicContact CD1-CG2 4.29Å; L415-V417 HydrophobicContact CG-CG2 4.27Å; V417-I419 HydrophobicContact CG1-CD1 4.25Å; V417-I419 HydrophobicContact CG1-CG1 3.87Å
418H69.2Low62Low108 Ų10881.2 Ų81.250%0.541%0.408SS..EExtended strand (participates in β ladder)trans-128.3121.3171.6-68.2-68.8000109.1M366 T367M366-H418 CarbonylContact C-O 3.32Å; M366-H418 WeakPolarHBondContact CA-O 3.33Å; T367-H418 PolarHBondContact N-O 3.41Å; T367-H418 PolarHBondContact O-N 2.87Å
419I68.7Low63.4Low7 Ų774.4 Ų74.44%0.03638%0.375CS..EExtended strand (participates in β ladder)trans-114.3112.2-178.9-55.1175.5000108.8E323 W330 L347 Y364 E365 M366 V417 V421E323-I419 VanDerWaalsContact OE2-CA 3.3Å; E323-I419 WeakPolarHBondContact OE2-CA 3.34Å; E323-I419 VanDerWaalsContact OE2-CB 3.31Å; E323-I419 WeakPolarHBondContact OE2-CB 3.41Å; E323-I419 PolarHBondContact OE2-N 2.8Å; E323-I419 VanDerWaalsContact OE2-O 3.06Å; W330-I419 HydrophobicContact CB-CD1 3.63Å; W330-I419 HydrophobicContact CD2-CD1 4.3Å; W330-I419 HydrophobicContact CE3-CD1 4.36Å; W330-I419 HydrophobicContact CG-CD1 4.05Å; L347-I419 HydrophobicContact CD1-CD1 3.68Å; Y364-I419 HydrophobicContact CD2-CG2 4.05Å; Y364-I419 HydrophobicContact CG-CG2 4.24Å; E365-I419 CarbonylContact O-C 3.55Å; E365-I419 WeakPolarHBondContact O-CA 3.39Å; M366-I419 HydrophobicContact CB-CG1 4.35Å; M366-I419 HydrophobicContact CG-CG1 4.09Å; V417-I419 HydrophobicContact CG1-CD1 4.25Å; V417-I419 HydrophobicContact CG1-CG1 3.87Å; I419-V421 HydrophobicContact CG2-CG2 4.47Å
420V65.7Low64.6Low83 Ų8372.7 Ų72.750%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-97.2105.3172.7-178.80000108.5Y364 E365 R422Y364-V420 CarbonylContact C-O 3.58Å; Y364-V420 VanDerWaalsContact CA-O 3.32Å; Y364-V420 WeakPolarHBondContact CA-O 3.38Å; E365-V420 HydrophobicContact CB-CB 4.31Å; E365-V420 PolarHBondContact N-O 3.14Å; E365-V420 PolarHBondContact O-N 2.94Å; V420-R422 PolarHBondContact O-N 2.65Å
421V64.5Low66.3Low34 Ų3472.3 Ų72.321%0.20637%0.365CS..EExtended strand (participates in β ladder)trans-71.4117.4169.9176.50000108.9L325 V362 D363 I419 L424L325-V421 HydrophobicContact CD1-CB 4.41Å; L325-V421 HydrophobicContact CD1-CG2 3.57Å; L325-V421 HydrophobicContact CD2-CB 3.82Å; L325-V421 HydrophobicContact CD2-CG1 4.22Å; L325-V421 HydrophobicContact CD2-CG2 3.71Å; L325-V421 HydrophobicContact CG-CG2 4.25Å; V362-V421 HydrophobicContact CG1-CB 4.39Å; V362-V421 HydrophobicContact CG1-CG1 3.71Å; V362-V421 HydrophobicContact CG1-CG2 3.89Å; D363-V421 CarbonylContact O-C 3.58Å; D363-V421 WeakPolarHBondContact O-CA 3.31Å; I419-V421 HydrophobicContact CG2-CG2 4.47Å; V421-L424 HydrophobicContact CG1-CB 4.29Å; V421-L424 HydrophobicContact CG1-CD1 4.49Å
422R63.5Low68.1Low124 Ų12464.6 Ų64.647%0.46833%0.332SS..EExtended strand (participates in β ladder)trans-86.3-37-179.9-64.8179174.6-178.21111.6D363 E365 V420D363-R422 HydrophobicContact CB-CB 3.95Å; D363-R422 PolarHBondContact O-N 2.9Å; E365-R422 IonicContact OE2-CZ 3.61Å; E365-R422 IonicContact OE2-NE 3.72Å; E365-R422 IonicContact OE2-NH2 2.69Å; E365-R422 PolarHBondContact OE2-NH2 2.88Å; V420-R422 PolarHBondContact O-N 2.65Å
423E62.9Low69.9Low64 Ų6460.4 Ų60.430%0.29931%0.312SS..EExtended strand (participates in β ladder)trans-148.8140.4178.7-165.1167.8-153.200110.5V362 D363 L425 R501V362-E423 WeakPolarHBondContact CA-O 3.17Å; D363-E423 HydrophobicContact CB-CB 3.84Å; D363-E423 PolarHBondContact N-O 3.39Å; D363-E423 PolarHBondContact O-N 2.99Å; E423-L425 HydrophobicContact CG-CD2 4.35Å; E423-R501 IonicContact OE1-CZ 3.8Å; E423-R501 IonicContact OE1-NH1 3.6Å; E423-R501 PolarHBondContact OE1-NH1 3.29Å; E423-R501 IonicContact OE1-NH2 2.68Å; E423-R501 PolarHBondContact OE1-NH2 3.2Å; E423-R501 IonicContact OE2-CZ 2.7Å; E423-R501 IonicContact OE2-NH1 2.71Å; E423-R501 IonicContact OE2-NH2 3.55Å; E423-R501 PolarHBondContact OE2-NH2 3.46Å
424L62.5Low71.4Confident73 Ų7362.9 Ų62.938%0.38233%0.326SS..EExtended strand (participates in β ladder)trans-129.8111.8177.3-16975.1000108.8L360 V362 V421L360-L424 HydrophobicContact CB-CD1 4Å; L360-L424 HydrophobicContact CD1-CD1 3.89Å; L360-L424 HydrophobicContact CD2-CD1 3.91Å; L360-L424 HydrophobicContact CD2-CD2 4.12Å; L360-L424 HydrophobicContact CD2-CG 3.92Å; L360-L424 HydrophobicContact CG-CD1 4.11Å; V362-L424 HydrophobicContact CG1-CD1 4.35Å; V362-L424 HydrophobicContact CG2-CD1 3.85Å; V421-L424 HydrophobicContact CG1-CB 4.29Å; V421-L424 HydrophobicContact CG1-CD1 4.49Å
425L63.3Low72.7Confident23 Ų2364.8 Ų64.812%0.1233%0.327CS..EExtended strand (participates in β ladder)trans-101.6123172.2-54176.7000109.9L360 L361 E423 Y499 R501 V503L360-L425 WeakPolarHBondContact CA-O 3.24Å; L361-L425 HydrophobicContact CB-CB 4.04Å; L361-L425 HydrophobicContact CB-CD1 4.25Å; L361-L425 HydrophobicContact CB-CG 4.44Å; L361-L425 HydrophobicContact CD2-CD1 3.57Å; L361-L425 HydrophobicContact CD2-CG 4.39Å; L361-L425 PolarHBondContact N-O 3.34Å; L361-L425 VanDerWaalsContact N-O 3.07Å; L361-L425 PolarHBondContact O-N 3.07Å; E423-L425 HydrophobicContact CG-CD2 4.35Å; L425-Y499 HydrophobicContact CB-CD1 4.06Å; L425-R501 HydrophobicContact CD1-CG 4.49Å; L425-V503 HydrophobicContact CD1-CG2 3.85Å
426T65Low73.8Confident81 Ų8165.7 Ų65.750%0.49733%0.334SS..EExtended strand (participates in β ladder)trans-83.5140.6169.550.20000110.3L360 R428L360-T426 HydrophobicContact CD2-CG2 3.9Å; T426-R428 PolarHBondContact O-N 3.31Å
427V68.6Low74.7Confident32 Ų3271 Ų7119%0.19436%0.359CS..PPolyproline II helixtrans-66.1127.8172.81630000111.2E359 R429 D430 R498 Y499E359-V427 HydrophobicContact CB-CB 3.84Å; E359-V427 HydrophobicContact CB-CG2 3.42Å; E359-V427 VanDerWaalsContact CB-CG2 3.42Å; E359-V427 HydrophobicContact CG-CB 4.32Å; E359-V427 HydrophobicContact CG-CG2 4.23Å; E359-V427 WeakPolarHBondContact O-CG2 3.37Å; E359-V427 PolarHBondContact O-N 3.06Å; E359-V427 WeakPolarHBondContact OE2-CG1 3.4Å; E359-V427 WeakPolarHBondContact OE2-CG2 3.14Å; V427-R429 VanDerWaalsContact CG1-C 3.46Å; V427-D430 HydrophobicContact CG1-CB 4.24Å; V427-R498 HydrophobicContact CB-CG 4.26Å; V427-R498 HydrophobicContact CG1-CG 3.74Å; V427-R498 HydrophobicContact CG2-CG 3.55Å; V427-Y499 HydrophobicContact CG2-CD1 3.63Å; V427-Y499 HydrophobicContact CG2-CE1 3.2Å
428R71.5Confident75.6Confident196 Ų19676.8 Ų76.874%0.7439%0.385SS*.SBendtrans-91.2-29.1172.8-67.2-164.5177.3-173.2-3.7112.1T426 R498T426-R428 PolarHBondContact O-N 3.31Å; R428-R498 PolarHBondContact N-O 2.91Å
429R74.4Confident76.7Confident35 Ų3572.6 Ų72.613%0.13237%0.366CS..  trans-140.397.3-176.4-159.876-17495.111.4111V427 D431 L432 V434 T436 D439 R498V427-R429 VanDerWaalsContact CG1-C 3.46Å; R429-D431 PolarHBondContact NH1-O 2.85Å; R429-D431 PolarHBondContact NH2-O 3.38Å; R429-L432 HydrophobicContact CB-CD2 4.34Å; R429-L432 HydrophobicContact CG-CD2 3.69Å; R429-V434 PolarHBondContact NH2-O 3.18Å; R429-T436 VanDerWaalsContact CZ-CG2 3.48Å; R429-D439 WeakPolarHBondContact CD-OD2 3.38Å; R429-D439 IonicContact NE-OD2 3.29Å; R429-D439 PolarHBondContact NE-OD2 2.74Å; R429-D439 VanDerWaalsContact NE-OD2 3.16Å; R429-R498 PolarHBondContact N-O 3.38Å; R429-R498 VanDerWaalsContact N-O 3.09Å; R429-R498 VanDerWaalsContact O-CG 3.28Å; R429-R498 WeakPolarHBondContact O-CG 3.45Å; R429-R498 PolarHBondContact O-NE 2.58Å
430D71.5Confident77.9Confident92 Ų9274.9 Ų74.949%0.49238%0.378SS..SBendtrans-70.6-52.7-179.261.6-25.2000111.9V427 R498V427-D430 HydrophobicContact CG1-CB 4.24Å; D430-R498 PolarHBondContact O-NE 2.97Å; D430-R498 PolarHBondContact O-NH2 3.41Å
431D82.4Confident79.4Confident60 Ų6071.1 Ų71.132%0.32136%0.355SS..  trans-114.6106.8-175.4-169.3-7000111.2R429 T433 V434R429-D431 PolarHBondContact NH1-O 2.85Å; R429-D431 PolarHBondContact NH2-O 3.38Å; D431-T433 VanDerWaalsContact CG-OG1 3.32Å; D431-T433 PolarHBondContact O-N 2.83Å; D431-T433 WeakPolarHBondContact OD1-CA 3.21Å; D431-T433 VanDerWaalsContact OD1-CB 3.31Å; D431-T433 WeakPolarHBondContact OD1-CB 3.45Å; D431-T433 PolarHBondContact OD1-N 2.8Å; D431-T433 PolarHBondContact OD1-OG1 3.2Å; D431-T433 PolarHBondContact OD2-OG1 2.79Å; D431-V434 HydrophobicContact CB-CG2 4.42Å; D431-V434 WeakPolarHBondContact OD2-CG2 3.37Å
432L89.8Confident80.9Confident2 Ų271.5 Ų71.51%0.0136%0.355CS..THydrogen-bonded Turntrans-77.6-7.4176-65.3175.3000112.7R429 V434 F450 Y451 L493 C497R429-L432 HydrophobicContact CB-CD2 4.34Å; R429-L432 HydrophobicContact CG-CD2 3.69Å; L432-V434 VanDerWaalsContact C-N 3.31Å; L432-F450 HydrophobicContact CB-CD1 3.99Å; L432-F450 CarbonylContact O-C 3.6Å; L432-F450 VanDerWaalsContact O-CA 3.27Å; L432-F450 WeakPolarHBondContact O-CA 3.44Å; L432-Y451 PolarHBondContact O-N 3.43Å; L432-L493 HydrophobicContact CD1-CB 3.89Å; L432-C497 HydrophobicContact CD2-CB 3.9Å
433T91.4Very high82.5Confident66 Ų6665.6 Ų65.641%0.40533%0.333SS..THydrogen-bonded Turntrans-86-6-179.973.40000113.3D431 F450 Y451D431-T433 VanDerWaalsContact CG-OG1 3.32Å; D431-T433 PolarHBondContact O-N 2.83Å; D431-T433 WeakPolarHBondContact OD1-CA 3.21Å; D431-T433 VanDerWaalsContact OD1-CB 3.31Å; D431-T433 WeakPolarHBondContact OD1-CB 3.45Å; D431-T433 PolarHBondContact OD1-N 2.8Å; D431-T433 PolarHBondContact OD1-OG1 3.2Å; D431-T433 PolarHBondContact OD2-OG1 2.79Å; T433-F450 HydrophobicContact CG2-CD1 4.4Å; T433-F450 HydrophobicContact CG2-CE1 4.38Å; T433-Y451 WeakPolarHBondContact O-CD2 3.41Å; T433-Y451 VanDerWaalsContact O-CE2 3.24Å; T433-Y451 WeakPolarHBondContact O-CE2 3.25Å
434V89.9Confident84.1Confident73 Ų7363.7 Ų63.744%0.44233%0.325SS..SBendtrans-103.9132.7179.1179.20000110.3R429 D431 L432R429-V434 PolarHBondContact NH2-O 3.18Å; D431-V434 HydrophobicContact CB-CG2 4.42Å; D431-V434 WeakPolarHBondContact OD2-CG2 3.37Å; L432-V434 VanDerWaalsContact C-N 3.31Å
435E94.1Very high85.4Confident110 Ų11060.2 Ų60.251%0.51431%0.306SS..  trans-74.4141.3175.2-169.7171.1-17000111.4N440 Y451E435-N440 HydrophobicContact CG-CB 4.15Å; E435-N440 WeakPolarHBondContact OE1-CB 3.34Å; E435-Y451 HydrophobicContact CB-CD1 3.63Å; E435-Y451 HydrophobicContact CB-CD2 4.22Å; E435-Y451 HydrophobicContact CB-CE1 3.63Å; E435-Y451 HydrophobicContact CB-CE2 4.24Å; E435-Y451 HydrophobicContact CB-CG 3.93Å; E435-Y451 HydrophobicContact CG-CD1 3.66Å; E435-Y451 HydrophobicContact CG-CE1 3.8Å; E435-Y451 HydrophobicContact CG-CG 4.34Å
436T91.3Very high86.7Confident48 Ų4863.1 Ų63.129%0.29433%0.333SS..  trans-132.4170.4170.474.60000110.8R429 Q438 D439 N440R429-T436 VanDerWaalsContact CZ-CG2 3.48Å; T436-Q438 PolarHBondContact O-N 2.83Å; T436-Q438 VanDerWaalsContact O-N 3.15Å; T436-Q438 PolarHBondContact OG1-N 3.06Å; T436-D439 PolarHBondContact N-O 3.42Å; T436-D439 CarbonylContact O-C 3.44Å; T436-D439 PolarHBondContact O-N 3.14Å; T436-D439 WeakPolarHBondContact OG1-CB 3.47Å; T436-D439 PolarHBondContact OG1-N 3.13Å; T436-D439 PolarHBondContact OG1-OD2 2.98Å; T436-N440 WeakPolarHBondContact O-CB 3.36Å
437D88.5Confident87.7Confident162 Ų16265.6 Ų65.687%0.86635%0.349SS*.SBendtrans-56.8-30.8176-69.2-23.5000113.2N440D437-N440 PolarHBondContact O-ND2 2.9Å
438Q89.1Confident88.8Confident140 Ų14068.7 Ų68.765%0.65436%0.359SS*.SBendtrans-94.6-37.1179.9-61.2-171.512.300112.6T436 N453T436-Q438 PolarHBondContact O-N 2.83Å; T436-Q438 VanDerWaalsContact O-N 3.15Å; T436-Q438 PolarHBondContact OG1-N 3.06Å; Q438-N453 WeakPolarHBondContact O-CA 3.47Å; Q438-N453 WeakPolarHBondContact O-CB 3.29Å
439D92.8Very high89.9Confident19 Ų1961 Ų6110%0.10233%0.334CS..  trans-103.483.3179.2-55.4-71000109.2R429 T436 Y451 N453R429-D439 WeakPolarHBondContact CD-OD2 3.38Å; R429-D439 IonicContact NE-OD2 3.29Å; R429-D439 PolarHBondContact NE-OD2 2.74Å; R429-D439 VanDerWaalsContact NE-OD2 3.16Å; T436-D439 PolarHBondContact N-O 3.42Å; T436-D439 CarbonylContact O-C 3.44Å; T436-D439 PolarHBondContact O-N 3.14Å; T436-D439 WeakPolarHBondContact OG1-CB 3.47Å; T436-D439 PolarHBondContact OG1-N 3.13Å; T436-D439 PolarHBondContact OG1-OD2 2.98Å; D439-Y451 WeakPolarHBondContact O-CB 3.38Å; D439-N453 VanDerWaalsContact OD1-CB 3.31Å; D439-N453 WeakPolarHBondContact OD1-CB 3.17Å; D439-N453 PolarHBondContact OD1-N 2.78Å
440N93.2Very high91Very high55 Ų5559.3 Ų59.329%0.29433%0.328SS..  trans-130.213.6-173.161.611.1000114.2E435 T436 D437E435-N440 HydrophobicContact CG-CB 4.15Å; E435-N440 WeakPolarHBondContact OE1-CB 3.34Å; T436-N440 WeakPolarHBondContact O-CB 3.36Å; D437-N440 PolarHBondContact O-ND2 2.9Å
441F96.9Very high92.1Very high4 Ų456.7 Ų56.72%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-105.1124.3171.6-164.5-87.5000110.2F443 Y451 V452 L454 L468 L476 I479F441-F443 AromaticContact CD1-CD2 3.95Å; F441-F443 HydrophobicContact CD1-CD2 3.95Å; F441-F443 AromaticContact CD1-CE2 3.73Å; F441-F443 HydrophobicContact CD1-CE2 3.73Å; F441-F443 HydrophobicContact CE1-CD2 4.39Å; F441-F443 HydrophobicContact CE1-CE2 4.06Å; F441-Y451 WeakPolarHBondContact O-CA 3.07Å; F441-V452 PolarHBondContact N-O 3.33Å; F441-V452 PolarHBondContact O-N 3.43Å; F441-L454 HydrophobicContact CB-CB 4.07Å; F441-L454 HydrophobicContact CB-CD2 4.3Å; F441-L454 HydrophobicContact CD1-CD1 4.42Å; F441-L454 HydrophobicContact CD1-CD2 4.13Å; F441-L454 HydrophobicContact CD2-CD2 3.59Å; F441-L454 HydrophobicContact CE1-CD2 4.36Å; F441-L454 HydrophobicContact CE2-CD2 3.83Å; F441-L454 HydrophobicContact CG-CB 4.36Å; F441-L454 HydrophobicContact CG-CD2 3.74Å; F441-L454 HydrophobicContact CG-CG 4.5Å; F441-L454 HydrophobicContact CZ-CD2 4.22Å; F441-L468 HydrophobicContact CE1-CD2 4.3Å; F441-L468 HydrophobicContact CZ-CD2 4Å; F441-L476 HydrophobicContact CE2-CG 4.28Å; F441-L476 VanDerWaalsContact CE2-O 3.27Å; F441-L476 WeakPolarHBondContact CE2-O 3.17Å; F441-L476 HydrophobicContact CZ-CD2 4.15Å; F441-L476 HydrophobicContact CZ-CG 4.19Å; F441-I479 HydrophobicContact CE1-CB 4.25Å; F441-I479 HydrophobicContact CE1-CG2 3.97Å
442M97.2Very high92.7Very high43 Ų4353.9 Ų53.921%0.21230%0.296CS..EExtended strand (participates in β ladder)trans-87125.3-173.4-62.1167.179.600112L444 V449 F450 Y451 R477 R478 I479M442-L444 HydrophobicContact CB-CD1 3.84Å; M442-L444 HydrophobicContact CE-CD1 4.43Å; M442-V449 HydrophobicContact CB-CG1 4.17Å; M442-V449 HydrophobicContact CE-CG1 3.53Å; M442-V449 HydrophobicContact CE-CG2 4.24Å; M442-V449 HydrophobicContact CG-CG1 4.11Å; M442-F450 CarbonylContact C-O 3.59Å; M442-F450 WeakPolarHBondContact CA-O 3.46Å; M442-Y451 HydrophobicContact CE-CE1 4.44Å; M442-Y451 HydrophobicContact CG-CD1 3.71Å; M442-Y451 HydrophobicContact CG-CE1 3.26Å; M442-Y451 HydrophobicContact SD-CE1 4.09Å; M442-R477 PolarHBondContact N-O 3.41Å; M442-R478 HydrophobicContact CB-CB 3.73Å; M442-R478 CarbonylContact O-C 3.57Å; M442-R478 WeakPolarHBondContact O-CA 3.38Å; M442-R478 HydrophobicContact SD-CB 4.41Å; M442-I479 PolarHBondContact O-N 3.17Å
443F97.3Very high92.9Very high0 Ų055.5 Ų55.50%031%0.305CS..EExtended strand (participates in β ladder)trans-101.2126.4162-82-116.7000108.3F441 V449 F450 V452 L454 L457 F465 L468 I479 V481 L489 L493 F519F441-F443 AromaticContact CD1-CD2 3.95Å; F441-F443 HydrophobicContact CD1-CD2 3.95Å; F441-F443 AromaticContact CD1-CE2 3.73Å; F441-F443 HydrophobicContact CD1-CE2 3.73Å; F441-F443 HydrophobicContact CE1-CD2 4.39Å; F441-F443 HydrophobicContact CE1-CE2 4.06Å; F443-V449 WeakPolarHBondContact O-CA 3.36Å; F443-F450 HydrophobicContact CB-CB 4.45Å; F443-F450 PolarHBondContact N-O 2.88Å; F443-F450 PolarHBondContact O-N 3Å; F443-V452 HydrophobicContact CD2-CG2 3.48Å; F443-V452 VanDerWaalsContact CD2-CG2 3.48Å; F443-V452 HydrophobicContact CE2-CG2 3.44Å; F443-V452 VanDerWaalsContact CE2-CG2 3.44Å; F443-V452 HydrophobicContact CZ-CG2 4.48Å; F443-L454 HydrophobicContact CE2-CD1 4.46Å; F443-L457 HydrophobicContact CE2-CD1 4.13Å; F443-L457 HydrophobicContact CZ-CD1 4.04Å; F443-F465 HydrophobicContact CE1-CE1 4.17Å; F443-F465 HydrophobicContact CZ-CD1 4.34Å; F443-F465 AromaticContact CZ-CE1 3.93Å; F443-F465 HydrophobicContact CZ-CE1 3.93Å; F443-L468 HydrophobicContact CZ-CD1 4.13Å; F443-I479 HydrophobicContact CB-CG2 4.45Å; F443-I479 HydrophobicContact CD1-CG2 3.69Å; F443-I479 HydrophobicContact CD2-CG2 3.92Å; F443-I479 HydrophobicContact CE1-CG2 3.79Å; F443-I479 HydrophobicContact CE2-CG2 4.01Å; F443-I479 HydrophobicContact CG-CG2 3.75Å; F443-I479 HydrophobicContact CZ-CG2 3.95Å; F443-V481 HydrophobicContact CD1-CG2 3.79Å; F443-V481 HydrophobicContact CE1-CG2 4.45Å; F443-L489 HydrophobicContact CB-CD2 4.19Å; F443-L489 HydrophobicContact CD1-CD1 4.32Å; F443-L493 HydrophobicContact CB-CD1 3.92Å; F443-L493 HydrophobicContact CD1-CD1 4.46Å; F443-L493 HydrophobicContact CG-CD1 4.22Å; F443-F519 AromaticContact CE1-CE1 3.96Å; F443-F519 HydrophobicContact CE1-CE1 3.96Å; F443-F519 AromaticContact CE1-CZ 3.98Å; F443-F519 HydrophobicContact CE1-CZ 3.98Å
444L94.8Very high93.1Very high24 Ų2452.7 Ų52.713%0.12629%0.287CS..EExtended strand (participates in β ladder)trans-115.4128.5179.8-66.892.3000110.5M442 K448 V449 R478 I479 V480 V481M442-L444 HydrophobicContact CB-CD1 3.84Å; M442-L444 HydrophobicContact CE-CD1 4.43Å; L444-K448 WeakPolarHBondContact CA-O 3.25Å; L444-V449 HydrophobicContact CD2-CG2 4.04Å; L444-V449 HydrophobicContact CG-CG2 4.09Å; L444-R478 HydrophobicContact CD1-CB 3.69Å; L444-R478 HydrophobicContact CD1-CG 4.29Å; L444-I479 WeakPolarHBondContact CD1-O 3.45Å; L444-I479 PolarHBondContact N-O 3.36Å; L444-V480 HydrophobicContact CB-CG2 4.37Å; L444-V480 CarbonylContact O-C 3.54Å; L444-V480 WeakPolarHBondContact O-CA 3.44Å; L444-V481 PolarHBondContact O-N 3.36Å
445A90Very high93.2Very high0 Ų058.6 Ų58.60%030%0.302CS..EExtended strand (participates in β ladder)trans-121.8117.7165.100000108T447 K448 P486 L489A445-T447 PolarHBondContact O-N 2.87Å; A445-K448 PolarHBondContact N-O 3.48Å; A445-K448 PolarHBondContact O-N 3Å; A445-P486 HydrophobicContact CB-CG 4.38Å; A445-L489 HydrophobicContact CB-CB 4.12Å; A445-L489 HydrophobicContact CB-CD2 3.54Å; A445-L489 HydrophobicContact CB-CG 4.49Å
446A90.3Very high93.2Very high83 Ų8355.7 Ų55.769%0.68629%0.286SS*.THydrogen-bonded Turntrans48.2-111.9-167.300000111.7P486A446-P486 HydrophobicContact CB-CG 4.19Å
447T87Confident93.4Very high134 Ų13453.4 Ų53.482%0.82227%0.272SS*.THydrogen-bonded Turntrans-99.1-9.9179.354.80000113.8A445A445-T447 PolarHBondContact O-N 2.87Å
448K91.3Very high93.6Very high96 Ų9645.9 Ų45.942%0.41723%0.233SC..EExtended strand (participates in β ladder)trans-84.1142.3178.8-79.4-138.6179.7-1790111.4L444 A445 F450 P486L444-K448 WeakPolarHBondContact CA-O 3.25Å; A445-K448 PolarHBondContact N-O 3.48Å; A445-K448 PolarHBondContact O-N 3Å; K448-F450 HydrophobicContact CB-CE2 4.05Å; K448-F450 HydrophobicContact CB-CZ 4.33Å; K448-F450 HydrophobicContact CD-CZ 4.23Å; K448-P486 HydrophobicContact CB-CB 3.95Å; K448-P486 HydrophobicContact CD-CB 4.13Å; K448-P486 HydrophobicContact CG-CB 3.92Å
449V95.2Very high93.8Very high34 Ų3443.4 Ų43.421%0.20623%0.231CC..EExtended strand (participates in β ladder)trans-123.1136.1-177.2-176.20000109.1M442 F443 L444 Y451M442-V449 HydrophobicContact CB-CG1 4.17Å; M442-V449 HydrophobicContact CE-CG1 3.53Å; M442-V449 HydrophobicContact CE-CG2 4.24Å; M442-V449 HydrophobicContact CG-CG1 4.11Å; F443-V449 WeakPolarHBondContact O-CA 3.36Å; L444-V449 HydrophobicContact CD2-CG2 4.04Å; L444-V449 HydrophobicContact CG-CG2 4.09Å; V449-Y451 HydrophobicContact CG1-CD2 4.24Å; V449-Y451 HydrophobicContact CG1-CE1 4.5Å; V449-Y451 HydrophobicContact CG1-CE2 3.68Å
450F96.4Very high93.8Very high0 Ų043.7 Ų43.70%023%0.232CC..EExtended strand (participates in β ladder)trans-126.8136.7172.6-55.5-87.2000109.3L432 T433 M442 F443 K448 L489 D490 L493L432-F450 HydrophobicContact CB-CD1 3.99Å; L432-F450 CarbonylContact O-C 3.6Å; L432-F450 VanDerWaalsContact O-CA 3.27Å; L432-F450 WeakPolarHBondContact O-CA 3.44Å; T433-F450 HydrophobicContact CG2-CD1 4.4Å; T433-F450 HydrophobicContact CG2-CE1 4.38Å; M442-F450 CarbonylContact C-O 3.59Å; M442-F450 WeakPolarHBondContact CA-O 3.46Å; F443-F450 HydrophobicContact CB-CB 4.45Å; F443-F450 PolarHBondContact N-O 2.88Å; F443-F450 PolarHBondContact O-N 3Å; K448-F450 HydrophobicContact CB-CE2 4.05Å; K448-F450 HydrophobicContact CB-CZ 4.33Å; K448-F450 HydrophobicContact CD-CZ 4.23Å; F450-L489 HydrophobicContact CD2-CD2 3.67Å; F450-L489 HydrophobicContact CD2-CG 3.96Å; F450-L489 HydrophobicContact CE2-CB 4.26Å; F450-L489 HydrophobicContact CE2-CD2 3.91Å; F450-L489 HydrophobicContact CE2-CG 4.06Å; F450-D490 HydrophobicContact CE1-CB 3.68Å; F450-D490 HydrophobicContact CZ-CB 3.61Å; F450-L493 HydrophobicContact CB-CD1 3.47Å; F450-L493 VanDerWaalsContact CB-CD1 3.47Å; F450-L493 HydrophobicContact CD2-CD1 4.21Å; F450-L493 HydrophobicContact CG-CD1 3.87Å
451Y96.5Very high93.6Very high38 Ų3843.5 Ų43.515%0.14924%0.244CC..EExtended strand (participates in β ladder)trans-106.4130.8177.8-64.1-91.7000109.4L432 T433 E435 D439 F441 M442 V449L432-Y451 PolarHBondContact O-N 3.43Å; T433-Y451 WeakPolarHBondContact O-CD2 3.41Å; T433-Y451 VanDerWaalsContact O-CE2 3.24Å; T433-Y451 WeakPolarHBondContact O-CE2 3.25Å; E435-Y451 HydrophobicContact CB-CD1 3.63Å; E435-Y451 HydrophobicContact CB-CD2 4.22Å; E435-Y451 HydrophobicContact CB-CE1 3.63Å; E435-Y451 HydrophobicContact CB-CE2 4.24Å; E435-Y451 HydrophobicContact CB-CG 3.93Å; E435-Y451 HydrophobicContact CG-CD1 3.66Å; E435-Y451 HydrophobicContact CG-CE1 3.8Å; E435-Y451 HydrophobicContact CG-CG 4.34Å; D439-Y451 WeakPolarHBondContact O-CB 3.38Å; F441-Y451 WeakPolarHBondContact O-CA 3.07Å; M442-Y451 HydrophobicContact CE-CE1 4.44Å; M442-Y451 HydrophobicContact CG-CD1 3.71Å; M442-Y451 HydrophobicContact CG-CE1 3.26Å; M442-Y451 HydrophobicContact SD-CE1 4.09Å; V449-Y451 HydrophobicContact CG1-CD2 4.24Å; V449-Y451 HydrophobicContact CG1-CE1 4.5Å; V449-Y451 HydrophobicContact CG1-CE2 3.68Å
452V94.8Very high93.3Very high0 Ų043.3 Ų43.30%024%0.243CC..EExtended strand (participates in β ladder)trans-138.2149-175.2-60.60000112F441 F443 L454 L457 L493F441-V452 PolarHBondContact N-O 3.33Å; F441-V452 PolarHBondContact O-N 3.43Å; F443-V452 HydrophobicContact CD2-CG2 3.48Å; F443-V452 VanDerWaalsContact CD2-CG2 3.48Å; F443-V452 HydrophobicContact CE2-CG2 3.44Å; F443-V452 VanDerWaalsContact CE2-CG2 3.44Å; F443-V452 HydrophobicContact CZ-CG2 4.48Å; V452-L454 PolarHBondContact O-N 3.03Å; V452-L454 VanDerWaalsContact O-N 3.13Å; V452-L457 HydrophobicContact CB-CD1 4.11Å; V452-L457 HydrophobicContact CG2-CD1 3.62Å; V452-L493 HydrophobicContact CG1-CD1 4.01Å; V452-L493 HydrophobicContact CG1-CD2 4.12Å; V452-L493 HydrophobicContact CG1-CG 4.46Å
453N94Very high93Very high37 Ų3748.2 Ų48.220%0.19827%0.268CS..  trans-72.7100.2167.3-175.4-29.3000110.4Q438 D439 R455 Y456 L457Q438-N453 WeakPolarHBondContact O-CA 3.47Å; Q438-N453 WeakPolarHBondContact O-CB 3.29Å; D439-N453 VanDerWaalsContact OD1-CB 3.31Å; D439-N453 WeakPolarHBondContact OD1-CB 3.17Å; D439-N453 PolarHBondContact OD1-N 2.78Å; N453-R455 VanDerWaalsContact C-N 3.25Å; N453-R455 PolarHBondContact O-N 2.91Å; N453-R455 WeakPolarHBondContact OD1-CB 3.42Å; N453-R455 PolarHBondContact OD1-N 2.85Å; N453-Y456 WeakPolarHBondContact O-CB 3.48Å; N453-Y456 PolarHBondContact O-N 3.43Å; N453-Y456 VanDerWaalsContact O-N 3.12Å; N453-Y456 PolarHBondContact OD1-N 2.99Å; N453-L457 PolarHBondContact O-N 2.86Å; N453-L457 VanDerWaalsContact O-N 3.11Å
454L94.2Very high92.8Very high7 Ų753 Ų534%0.03729%0.289CS..Hα-helixtrans-66.4-25.2-177.4-167.560.1000113.5F441 F443 V452 A458 L468 L469F441-L454 HydrophobicContact CB-CB 4.07Å; F441-L454 HydrophobicContact CB-CD2 4.3Å; F441-L454 HydrophobicContact CD1-CD1 4.42Å; F441-L454 HydrophobicContact CD1-CD2 4.13Å; F441-L454 HydrophobicContact CD2-CD2 3.59Å; F441-L454 HydrophobicContact CE1-CD2 4.36Å; F441-L454 HydrophobicContact CE2-CD2 3.83Å; F441-L454 HydrophobicContact CG-CB 4.36Å; F441-L454 HydrophobicContact CG-CD2 3.74Å; F441-L454 HydrophobicContact CG-CG 4.5Å; F441-L454 HydrophobicContact CZ-CD2 4.22Å; F443-L454 HydrophobicContact CE2-CD1 4.46Å; V452-L454 PolarHBondContact O-N 3.03Å; V452-L454 VanDerWaalsContact O-N 3.13Å; L454-A458 VanDerWaalsContact O-CB 3.31Å; L454-A458 WeakPolarHBondContact O-CB 3.45Å; L454-A458 PolarHBondContact O-N 2.92Å; L454-L468 HydrophobicContact CD1-CB 3.96Å; L454-L468 HydrophobicContact CD2-CB 4.07Å; L454-L468 WeakPolarHBondContact CD2-O 3.32Å; L454-L469 HydrophobicContact CB-CD1 4.35Å; L454-L469 HydrophobicContact CD2-CB 4.27Å; L454-L469 HydrophobicContact CD2-CD1 4.35Å; L454-L469 HydrophobicContact CG-CB 4.14Å; L454-L469 HydrophobicContact CG-CD1 4.21Å
455R93.5Very high92.8Very high196 Ų19651.9 Ų51.974%0.7428%0.283SS*.Hα-helixtrans-68.2-40.4173.4-65.3-177.9-168.6170.85.1110.9N453 A458 S459 L469N453-R455 VanDerWaalsContact C-N 3.25Å; N453-R455 PolarHBondContact O-N 2.91Å; N453-R455 WeakPolarHBondContact OD1-CB 3.42Å; N453-R455 PolarHBondContact OD1-N 2.85Å; R455-A458 PolarHBondContact O-N 3.49Å; R455-S459 PolarHBondContact O-N 2.75Å; R455-L469 HydrophobicContact CG-CD1 3.84Å; R455-L469 HydrophobicContact CG-CD2 4.32Å
456Y93.8Very high93Very high49 Ų4955.3 Ų55.319%0.19230%0.302CS..Hα-helixtrans-62.2-48.7174.4168.5-106.6000110.9N453 A458 S459 L460 L496 R501 P502N453-Y456 WeakPolarHBondContact O-CB 3.48Å; N453-Y456 PolarHBondContact O-N 3.43Å; N453-Y456 VanDerWaalsContact O-N 3.12Å; N453-Y456 PolarHBondContact OD1-N 2.99Å; Y456-A458 VanDerWaalsContact C-N 3.33Å; Y456-A458 PolarHBondContact O-N 2.9Å; Y456-S459 WeakPolarHBondContact O-CB 3.37Å; Y456-S459 PolarHBondContact O-N 2.9Å; Y456-S459 PolarHBondContact O-OG 3.44Å; Y456-L460 HydrophobicContact CE2-CD2 4.47Å; Y456-L496 WeakPolarHBondContact CE1-O 3.5Å; Y456-L496 VanDerWaalsContact CZ-O 3.31Å; Y456-L496 PolarHBondContact OH-O 3.05Å; Y456-R501 WeakPolarHBondContact OH-CA 3.49Å; Y456-R501 PolarHBondContact OH-N 3.47Å; Y456-P502 WeakPolarHBondContact OH-CD 3.38Å
457L94.1Very high93.3Very high0 Ų055.1 Ų55.10%029%0.289CS..Hα-helixtrans-59-43.6176.8-67.1-172.2000112.5F443 V452 N453 S459 L460 F465 L496F443-L457 HydrophobicContact CE2-CD1 4.13Å; F443-L457 HydrophobicContact CZ-CD1 4.04Å; V452-L457 HydrophobicContact CB-CD1 4.11Å; V452-L457 HydrophobicContact CG2-CD1 3.62Å; N453-L457 PolarHBondContact O-N 2.86Å; N453-L457 VanDerWaalsContact O-N 3.11Å; L457-S459 VanDerWaalsContact C-N 3.26Å; L457-S459 PolarHBondContact O-N 3.44Å; L457-L460 HydrophobicContact CD2-CD1 4.28Å; L457-L460 WeakPolarHBondContact O-CB 3.41Å; L457-L460 PolarHBondContact O-N 2.81Å; L457-L460 VanDerWaalsContact O-N 3.14Å; L457-F465 HydrophobicContact CB-CB 4.18Å; L457-F465 HydrophobicContact CB-CD1 4.3Å; L457-F465 HydrophobicContact CB-CD2 3.72Å; L457-F465 HydrophobicContact CB-CE2 4.13Å; L457-F465 HydrophobicContact CB-CG 3.84Å; L457-F465 HydrophobicContact CD1-CD1 4.36Å; L457-F465 HydrophobicContact CD1-CE1 4.15Å; L457-F465 HydrophobicContact CD1-CZ 4.24Å; L457-F465 HydrophobicContact CD2-CE2 4.37Å; L457-F465 WeakPolarHBondContact O-CD2 3.4Å; L457-L496 HydrophobicContact CD2-CB 4.26Å; L457-L496 HydrophobicContact CD2-CD1 3.96Å
458A93.2Very high93.7Very high5 Ų549 Ų494%0.04125%0.251CS..Hα-helixtrans-61.5-33.217600000112.9L454 R455 Y456 L460 G461 F465 N466 L469L454-A458 VanDerWaalsContact O-CB 3.31Å; L454-A458 WeakPolarHBondContact O-CB 3.45Å; L454-A458 PolarHBondContact O-N 2.92Å; R455-A458 PolarHBondContact O-N 3.49Å; Y456-A458 VanDerWaalsContact C-N 3.33Å; Y456-A458 PolarHBondContact O-N 2.9Å; A458-L460 PolarHBondContact O-N 2.63Å; A458-G461 PolarHBondContact O-N 2.89Å; A458-G461 VanDerWaalsContact O-N 3.09Å; A458-F465 HydrophobicContact CB-CB 4.43Å; A458-N466 PolarHBondContact O-ND2 3.26Å; A458-L469 HydrophobicContact CB-CB 4.26Å; A458-L469 HydrophobicContact CB-CD2 3.7Å
459S93.5Very high93.9Very high88 Ų8845.6 Ų45.662%0.61524%0.237SC*.Hα-helixtrans-65.6-17.5177.2810000114R455 Y456 L457 G461R455-S459 PolarHBondContact O-N 2.75Å; Y456-S459 WeakPolarHBondContact O-CB 3.37Å; Y456-S459 PolarHBondContact O-N 2.9Å; Y456-S459 PolarHBondContact O-OG 3.44Å; L457-S459 VanDerWaalsContact C-N 3.26Å; L457-S459 PolarHBondContact O-N 3.44Å; S459-G461 PolarHBondContact O-N 2.94Å
460L93.1Very high93.9Very high24 Ų2448 Ų4813%0.12625%0.247CC..THydrogen-bonded Turntrans-72.6-4173.7-56.3179.1000113Y456 L457 A458 L496 P502 V521 S523Y456-L460 HydrophobicContact CE2-CD2 4.47Å; L457-L460 HydrophobicContact CD2-CD1 4.28Å; L457-L460 WeakPolarHBondContact O-CB 3.41Å; L457-L460 PolarHBondContact O-N 2.81Å; L457-L460 VanDerWaalsContact O-N 3.14Å; A458-L460 PolarHBondContact O-N 2.63Å; L460-L496 HydrophobicContact CD1-CD1 4.45Å; L460-L496 HydrophobicContact CD1-CD2 3.62Å; L460-P502 HydrophobicContact CD1-CG 4.33Å; L460-P502 HydrophobicContact CD2-CG 3.81Å; L460-V521 HydrophobicContact CB-CG1 3.93Å; L460-V521 HydrophobicContact CD1-CG1 4.49Å; L460-S523 PolarHBondContact O-OG 2.99Å
461G88.2Confident93.9Very high52 Ų5253.4 Ų53.454%0.53627%0.267SS..THydrogen-bonded Turntrans88.911.3174.100000114.8A458 S459A458-G461 PolarHBondContact O-N 2.89Å; A458-G461 VanDerWaalsContact O-N 3.09Å; S459-G461 PolarHBondContact O-N 2.94Å
462S91.7Very high93.8Very high0 Ų052.9 Ų52.90%027%0.269CS..  trans-76.3128.2178.3159.80000112.1K464 F465 N466 F519 G520S462-K464 VanDerWaalsContact C-N 3.27Å; S462-K464 PolarHBondContact O-N 2.88Å; S462-K464 PolarHBondContact OG-N 2.94Å; S462-F465 VanDerWaalsContact CB-CD2 3.43Å; S462-F465 PolarHBondContact O-N 3.06Å; S462-F465 PolarHBondContact OG-N 2.97Å; S462-N466 WeakPolarHBondContact O-CB 3.42Å; S462-N466 PolarHBondContact O-N 3.43Å; S462-N466 PolarHBondContact O-ND2 2.83Å; S462-F519 PolarHBondContact OG-O 3.33Å; S462-G520 WeakPolarHBondContact CA-O 3.43Å
463I89.5Confident93.8Very high145 Ų14559.5 Ų59.574%0.74430%0.298SS*.Hα-helixtrans-60.5-40.6174-62.6171.3000110.3N466 D467I463-N466 PolarHBondContact O-N 2.83Å; I463-D467 PolarHBondContact O-N 3.24Å
464K93.7Very high93.8Very high102 Ų10267.8 Ų67.844%0.44333%0.326SS..Hα-helixtrans-67.8-41.2180-73.4-179.5167-172.50112.3S462 N466 D467 L468 E518S462-K464 VanDerWaalsContact C-N 3.27Å; S462-K464 PolarHBondContact O-N 2.88Å; S462-K464 PolarHBondContact OG-N 2.94Å; K464-N466 VanDerWaalsContact C-N 3.34Å; K464-D467 PolarHBondContact O-N 2.86Å; K464-L468 WeakPolarHBondContact O-CB 3.4Å; K464-L468 WeakPolarHBondContact O-CG 3.4Å; K464-L468 PolarHBondContact O-N 3.11Å; K464-E518 VanDerWaalsContact CD-O 3.32Å; K464-E518 WeakPolarHBondContact CD-O 3.47Å; K464-E518 VanDerWaalsContact CE-O 3.28Å; K464-E518 WeakPolarHBondContact CE-O 3.49Å; K464-E518 PolarHBondContact NZ-O 3.2Å
465F95.2Very high93.7Very high0 Ų070 Ų700%035%0.351CS..Hα-helixtrans-68.4-34.5175.4-64.6-33.1000112.2F443 L457 A458 S462 L468 L469 F492 F519 V521F443-F465 HydrophobicContact CE1-CE1 4.17Å; F443-F465 HydrophobicContact CZ-CD1 4.34Å; F443-F465 AromaticContact CZ-CE1 3.93Å; F443-F465 HydrophobicContact CZ-CE1 3.93Å; L457-F465 HydrophobicContact CB-CB 4.18Å; L457-F465 HydrophobicContact CB-CD1 4.3Å; L457-F465 HydrophobicContact CB-CD2 3.72Å; L457-F465 HydrophobicContact CB-CE2 4.13Å; L457-F465 HydrophobicContact CB-CG 3.84Å; L457-F465 HydrophobicContact CD1-CD1 4.36Å; L457-F465 HydrophobicContact CD1-CE1 4.15Å; L457-F465 HydrophobicContact CD1-CZ 4.24Å; L457-F465 HydrophobicContact CD2-CE2 4.37Å; L457-F465 WeakPolarHBondContact O-CD2 3.4Å; A458-F465 HydrophobicContact CB-CB 4.43Å; S462-F465 VanDerWaalsContact CB-CD2 3.43Å; S462-F465 PolarHBondContact O-N 3.06Å; S462-F465 PolarHBondContact OG-N 2.97Å; F465-L468 HydrophobicContact CD1-CD1 4.25Å; F465-L468 PolarHBondContact O-N 3.38Å; F465-L469 WeakPolarHBondContact O-CB 3.34Å; F465-L469 PolarHBondContact O-N 3.29Å; F465-F492 HydrophobicContact CZ-CE1 4.17Å; F465-F492 HydrophobicContact CZ-CZ 4.32Å; F465-F519 HydrophobicContact CD1-CD1 4.19Å; F465-F519 HydrophobicContact CE1-CB 4.11Å; F465-F519 AromaticContact CE1-CD1 3.41Å; F465-F519 HydrophobicContact CE1-CD1 3.41Å; F465-F519 VanDerWaalsContact CE1-CD1 3.41Å; F465-F519 AromaticContact CE1-CE1 3.95Å; F465-F519 HydrophobicContact CE1-CE1 3.95Å; F465-F519 AromaticContact CE1-CG 3.79Å; F465-F519 HydrophobicContact CE1-CG 3.79Å; F465-F519 HydrophobicContact CE2-CB 4.33Å; F465-F519 HydrophobicContact CZ-CB 3.78Å; F465-F519 AromaticContact CZ-CD1 3.9Å; F465-F519 HydrophobicContact CZ-CD1 3.9Å; F465-F519 HydrophobicContact CZ-CD2 4.38Å; F465-F519 AromaticContact CZ-CG 3.76Å; F465-F519 HydrophobicContact CZ-CG 3.76Å; F465-V521 HydrophobicContact CD2-CG2 4.2Å; F465-V521 HydrophobicContact CE2-CG2 3.57Å; F465-V521 HydrophobicContact CZ-CG2 4.23Å
466N95Very high93.8Very high71 Ų7163.1 Ų63.138%0.3833%0.328SS..Hα-helixtrans-65.3-43.7172.3-79.5-68000112.3A458 S462 I463 K464 L468 L469 E470A458-N466 PolarHBondContact O-ND2 3.26Å; S462-N466 WeakPolarHBondContact O-CB 3.42Å; S462-N466 PolarHBondContact O-N 3.43Å; S462-N466 PolarHBondContact O-ND2 2.83Å; I463-N466 PolarHBondContact O-N 2.83Å; K464-N466 VanDerWaalsContact C-N 3.34Å; N466-L468 VanDerWaalsContact C-N 3.35Å; N466-L468 PolarHBondContact O-N 3.1Å; N466-L469 WeakPolarHBondContact O-CB 3.38Å; N466-L469 PolarHBondContact O-N 3.21Å; N466-E470 PolarHBondContact O-N 3.32Å
467D94.8Very high93.9Very high80 Ų8067.8 Ų67.843%0.42835%0.346SS..Hα-helixtrans-59.2-46.1173.1176.365.7000111.5I463 K464 L469 E470 R471I463-D467 PolarHBondContact O-N 3.24Å; K464-D467 PolarHBondContact O-N 2.86Å; D467-L469 VanDerWaalsContact C-N 3.28Å; D467-L469 PolarHBondContact O-N 3.24Å; D467-E470 PolarHBondContact O-N 2.91Å; D467-R471 WeakPolarHBondContact O-CB 3.49Å; D467-R471 VanDerWaalsContact O-CG 3.29Å; D467-R471 WeakPolarHBondContact O-CG 3.4Å; D467-R471 PolarHBondContact O-N 3.34Å; D467-R471 WeakPolarHBondContact OD2-CD 3.41Å; D467-R471 IonicContact OD2-NH1 2.75Å; D467-R471 PolarHBondContact OD2-NH1 3.11Å
468L95.5Very high94Very high5 Ų575 Ų753%0.02637%0.373CS..Hα-helixtrans-58.9-41.7175.7-80.1172.1000111.7F441 F443 L454 K464 F465 N466 R471 S472 L476 I479F441-L468 HydrophobicContact CE1-CD2 4.3Å; F441-L468 HydrophobicContact CZ-CD2 4Å; F443-L468 HydrophobicContact CZ-CD1 4.13Å; L454-L468 HydrophobicContact CD1-CB 3.96Å; L454-L468 HydrophobicContact CD2-CB 4.07Å; L454-L468 WeakPolarHBondContact CD2-O 3.32Å; K464-L468 WeakPolarHBondContact O-CB 3.4Å; K464-L468 WeakPolarHBondContact O-CG 3.4Å; K464-L468 PolarHBondContact O-N 3.11Å; F465-L468 HydrophobicContact CD1-CD1 4.25Å; F465-L468 PolarHBondContact O-N 3.38Å; N466-L468 VanDerWaalsContact C-N 3.35Å; N466-L468 PolarHBondContact O-N 3.1Å; L468-R471 PolarHBondContact O-N 3Å; L468-S472 WeakPolarHBondContact O-CB 3.44Å; L468-S472 PolarHBondContact O-N 3.44Å; L468-L476 HydrophobicContact CD2-CD2 4.11Å; L468-I479 HydrophobicContact CD1-CD1 3.96Å; L468-I479 HydrophobicContact CD1-CG2 4.5Å; L468-I479 HydrophobicContact CD2-CB 4.23Å; L468-I479 HydrophobicContact CD2-CD1 4Å; L468-I479 HydrophobicContact CG-CD1 4.5Å
469L95.7Very high94.1Very high24 Ų2476.8 Ų76.813%0.12638%0.381CS..Hα-helixtrans-63.3-40.3177.6-178.161.8000111.9L454 R455 A458 F465 N466 D467 S472 K473L454-L469 HydrophobicContact CB-CD1 4.35Å; L454-L469 HydrophobicContact CD2-CB 4.27Å; L454-L469 HydrophobicContact CD2-CD1 4.35Å; L454-L469 HydrophobicContact CG-CB 4.14Å; L454-L469 HydrophobicContact CG-CD1 4.21Å; R455-L469 HydrophobicContact CG-CD1 3.84Å; R455-L469 HydrophobicContact CG-CD2 4.32Å; A458-L469 HydrophobicContact CB-CB 4.26Å; A458-L469 HydrophobicContact CB-CD2 3.7Å; F465-L469 WeakPolarHBondContact O-CB 3.34Å; F465-L469 PolarHBondContact O-N 3.29Å; N466-L469 WeakPolarHBondContact O-CB 3.38Å; N466-L469 PolarHBondContact O-N 3.21Å; D467-L469 VanDerWaalsContact C-N 3.28Å; D467-L469 PolarHBondContact O-N 3.24Å; L469-S472 PolarHBondContact O-N 3.37Å; L469-S472 PolarHBondContact O-OG 2.92Å; L469-K473 WeakPolarHBondContact O-CG 3.42Å; L469-K473 PolarHBondContact O-N 3.31Å
470E95.3Very high94.2Very high85 Ų8576.3 Ų76.340%0.39737%0.374SS..Hα-helixtrans-68-38.5175.1-71.3-53.213300112.3N466 D467 S472 K473N466-E470 PolarHBondContact O-N 3.32Å; D467-E470 PolarHBondContact O-N 2.91Å; E470-S472 VanDerWaalsContact C-N 3.31Å; E470-S472 PolarHBondContact O-N 3.22Å; E470-K473 PolarHBondContact O-N 3.47Å; E470-K473 IonicContact OE1-NZ 3.37Å; E470-K473 PolarHBondContact OE1-NZ 2.98Å; E470-K473 IonicContact OE2-NZ 3.67Å
471R96Very high94.1Very high113 Ų11375.5 Ų75.543%0.42637%0.37SS..Hα-helixtrans-68.9-31.5175.8-69167.864.3-174.2-1.2112D467 L468 R474 G475 L476D467-R471 WeakPolarHBondContact O-CB 3.49Å; D467-R471 VanDerWaalsContact O-CG 3.29Å; D467-R471 WeakPolarHBondContact O-CG 3.4Å; D467-R471 PolarHBondContact O-N 3.34Å; D467-R471 WeakPolarHBondContact OD2-CD 3.41Å; D467-R471 IonicContact OD2-NH1 2.75Å; D467-R471 PolarHBondContact OD2-NH1 3.11Å; L468-R471 PolarHBondContact O-N 3Å; R471-R474 CarbonylContact O-C 3.55Å; R471-R474 WeakPolarHBondContact O-CA 3.36Å; R471-R474 WeakPolarHBondContact O-CB 3.16Å; R471-R474 PolarHBondContact O-N 3.3Å; R471-R474 VanDerWaalsContact O-N 3.09Å; R471-G475 PolarHBondContact O-N 2.54Å; R471-L476 HydrophobicContact CB-CB 4.13Å; R471-L476 HydrophobicContact CB-CD2 3.8Å; R471-L476 VanDerWaalsContact O-CB 3.29Å; R471-L476 WeakPolarHBondContact O-CB 3.11Å; R471-L476 PolarHBondContact O-N 2.95Å; R471-L476 VanDerWaalsContact O-N 3.11Å
472S95.4Very high94.2Very high28 Ų2880.8 Ų80.820%0.19639%0.385CS..Hα-helixtrans-69.7-35.4177.780.10000112.7L468 L469 E470 R474 G475 L476L468-S472 WeakPolarHBondContact O-CB 3.44Å; L468-S472 PolarHBondContact O-N 3.44Å; L469-S472 PolarHBondContact O-N 3.37Å; L469-S472 PolarHBondContact O-OG 2.92Å; E470-S472 VanDerWaalsContact C-N 3.31Å; E470-S472 PolarHBondContact O-N 3.22Å; S472-R474 PolarHBondContact O-N 2.97Å; S472-G475 PolarHBondContact O-N 3.33Å; S472-L476 WeakPolarHBondContact CA-O 3.39Å; S472-L476 WeakPolarHBondContact CB-O 3.15Å
473K93.6Very high93.7Very high138 Ų13883.6 Ų83.660%0.641%0.405SS*.Hα-helixtrans-59.7-24.7169.4-65.4170.7-172.4172.80112.7L469 E470L469-K473 WeakPolarHBondContact O-CG 3.42Å; L469-K473 PolarHBondContact O-N 3.31Å; E470-K473 PolarHBondContact O-N 3.47Å; E470-K473 IonicContact OE1-NZ 3.37Å; E470-K473 PolarHBondContact OE1-NZ 2.98Å; E470-K473 IonicContact OE2-NZ 3.67Å
474R93.8Very high93.5Very high212 Ų21277.2 Ų77.280%0.837%0.374SS*.THydrogen-bonded Turntrans-92.28.9175.7-58.4176.1-171.7174.93.4113.4R471 S472R471-R474 CarbonylContact O-C 3.55Å; R471-R474 WeakPolarHBondContact O-CA 3.36Å; R471-R474 WeakPolarHBondContact O-CB 3.16Å; R471-R474 PolarHBondContact O-N 3.3Å; R471-R474 VanDerWaalsContact O-N 3.09Å; S472-R474 PolarHBondContact O-N 2.97Å
475G93.7Very high93.2Very high53 Ų5374.2 Ų74.255%0.54637%0.366SS..THydrogen-bonded Turntrans100.7-0.4174.800000115.5R471 S472 R477R471-G475 PolarHBondContact O-N 2.54Å; S472-G475 PolarHBondContact O-N 3.33Å; G475-R477 PolarHBondContact O-N 3.17Å
476L95.7Very high92.7Very high51 Ų5175.3 Ų75.327%0.26737%0.373SS..  trans-65.3126.7170.4-172.367.6000109.3F441 L468 R471 S472 R478F441-L476 HydrophobicContact CE2-CG 4.28Å; F441-L476 VanDerWaalsContact CE2-O 3.27Å; F441-L476 WeakPolarHBondContact CE2-O 3.17Å; F441-L476 HydrophobicContact CZ-CD2 4.15Å; F441-L476 HydrophobicContact CZ-CG 4.19Å; L468-L476 HydrophobicContact CD2-CD2 4.11Å; R471-L476 HydrophobicContact CB-CB 4.13Å; R471-L476 HydrophobicContact CB-CD2 3.8Å; R471-L476 VanDerWaalsContact O-CB 3.29Å; R471-L476 WeakPolarHBondContact O-CB 3.11Å; R471-L476 PolarHBondContact O-N 2.95Å; R471-L476 VanDerWaalsContact O-N 3.11Å; S472-L476 WeakPolarHBondContact CA-O 3.39Å; S472-L476 WeakPolarHBondContact CB-O 3.15Å; L476-R478 WeakPolarHBondContact CD1-O 3.44Å; L476-R478 WeakPolarHBondContact CG-O 3.36Å
477R95.1Very high92.3Very high148 Ų14877.5 Ų77.556%0.55838%0.381SS*.  trans-112.3-7.3179.6-66.4-64.8-174159.20.7114M442 G475M442-R477 PolarHBondContact N-O 3.41Å; G475-R477 PolarHBondContact O-N 3.17Å
478R96.1Very high91.9Very high151 Ų15177.2 Ų77.257%0.5738%0.377SS*.EExtended strand (participates in β ladder)trans-150156-17470.5-177.6-179.4-1780114.4M442 L444 L476M442-R478 HydrophobicContact CB-CB 3.73Å; M442-R478 CarbonylContact O-C 3.57Å; M442-R478 WeakPolarHBondContact O-CA 3.38Å; M442-R478 HydrophobicContact SD-CB 4.41Å; L444-R478 HydrophobicContact CD1-CB 3.69Å; L444-R478 HydrophobicContact CD1-CG 4.29Å; L476-R478 WeakPolarHBondContact CD1-O 3.44Å; L476-R478 WeakPolarHBondContact CG-O 3.36Å
479I95.8Very high91.6Very high43 Ų4377 Ų7722%0.22138%0.376CS..EExtended strand (participates in β ladder)trans-129.1145.4163.8-173.9168.9000109.8F441 M442 F443 L444 L468F441-I479 HydrophobicContact CE1-CB 4.25Å; F441-I479 HydrophobicContact CE1-CG2 3.97Å; M442-I479 PolarHBondContact O-N 3.17Å; F443-I479 HydrophobicContact CB-CG2 4.45Å; F443-I479 HydrophobicContact CD1-CG2 3.69Å; F443-I479 HydrophobicContact CD2-CG2 3.92Å; F443-I479 HydrophobicContact CE1-CG2 3.79Å; F443-I479 HydrophobicContact CE2-CG2 4.01Å; F443-I479 HydrophobicContact CG-CG2 3.75Å; F443-I479 HydrophobicContact CZ-CG2 3.95Å; L444-I479 WeakPolarHBondContact CD1-O 3.45Å; L444-I479 PolarHBondContact N-O 3.36Å; L468-I479 HydrophobicContact CD1-CD1 3.96Å; L468-I479 HydrophobicContact CD1-CG2 4.5Å; L468-I479 HydrophobicContact CD2-CB 4.23Å; L468-I479 HydrophobicContact CD2-CD1 4Å; L468-I479 HydrophobicContact CG-CD1 4.5Å
480V95Very high91.3Very high78 Ų7878.1 Ų78.147%0.47338%0.382SS..EExtended strand (participates in β ladder)trans-100.8123.1168.7-176.10000108.3L444 L482L444-V480 HydrophobicContact CB-CG2 4.37Å; L444-V480 CarbonylContact O-C 3.54Å; L444-V480 WeakPolarHBondContact O-CA 3.44Å; V480-L482 HydrophobicContact CG1-CD2 3.73Å; V480-L482 HydrophobicContact CG1-CG 4.26Å
481V91.7Very high90.8Very high7 Ų776.7 Ų76.74%0.04238%0.379CS..  trans-96.2108.8176.4-172.80000107.5F443 L444 S483 A484 L489 F519F443-V481 HydrophobicContact CD1-CG2 3.79Å; F443-V481 HydrophobicContact CE1-CG2 4.45Å; L444-V481 PolarHBondContact O-N 3.36Å; V481-S483 VanDerWaalsContact CG1-OG 3.32Å; V481-S483 WeakPolarHBondContact CG1-OG 3.13Å; V481-A484 HydrophobicContact CG1-CB 3.82Å; V481-L489 HydrophobicContact CB-CD2 4.29Å; V481-L489 HydrophobicContact CG1-CD1 4.5Å; V481-L489 HydrophobicContact CG2-CD1 4.16Å; V481-L489 HydrophobicContact CG2-CD2 4.15Å; V481-F519 HydrophobicContact CG1-CZ 4.18Å; V481-F519 HydrophobicContact CG2-CZ 4Å
482L88.9Confident90.6Very high162 Ų16271.3 Ų71.385%0.84836%0.359SS*.SBendtrans-94.1-14.2-178.4-62.4176.5000112.9V480V480-L482 HydrophobicContact CG1-CD2 3.73Å; V480-L482 HydrophobicContact CG1-CG 4.26Å
483S83Confident90.5Very high60 Ų6070 Ų7042%0.4235%0.349SS..SBendtrans-85.3-12.3-176.749.20000114V481 E518V481-S483 VanDerWaalsContact CG1-OG 3.32Å; V481-S483 WeakPolarHBondContact CG1-OG 3.13Å; S483-E518 VanDerWaalsContact CB-CD 3.46Å; S483-E518 WeakPolarHBondContact CB-OE1 3.48Å; S483-E518 WeakPolarHBondContact CB-OE2 3.31Å; S483-E518 PolarHBondContact OG-OE1 2.79Å; S483-E518 PolarHBondContact OG-OE2 2.79Å
484A83.9Confident90.3Very high11 Ų1163.9 Ų63.99%0.09132%0.324CS..SBendtrans-127.1140.6-174.900000110.5V481 E488 L489 L515V481-A484 HydrophobicContact CG1-CB 3.82Å; A484-E488 WeakPolarHBondContact CA-OE2 3.42Å; A484-E488 HydrophobicContact CB-CB 4.12Å; A484-L489 HydrophobicContact CB-CB 4.21Å; A484-L515 HydrophobicContact CB-CD1 4.05Å; A484-L515 HydrophobicContact CB-CD2 3.89Å
485S88.5Confident89.9Confident39 Ų3954 Ų5427%0.27329%0.288SS..  trans-65.5162.1163.7950000110.6E487 E488 L489S485-E487 WeakPolarHBondContact CB-OE2 3.2Å; S485-E487 PolarHBondContact O-N 3.24Å; S485-E487 PolarHBondContact OG-N 3.44Å; S485-E487 PolarHBondContact OG-OE2 2.64Å; S485-E488 PolarHBondContact N-OE2 2.85Å; S485-E488 PolarHBondContact O-N 2.96Å; S485-E488 PolarHBondContact OG-N 2.79Å; S485-L489 WeakPolarHBondContact O-CB 3.22Å; S485-L489 PolarHBondContact O-N 3.22Å
486P84.6Confident89.8Confident22 Ų2251.5 Ų51.514%0.14326%0.262CS..Hα-helixtrans-50.5-39.6171.2-28.937.1000114A445 A446 K448 D490A445-P486 HydrophobicContact CB-CG 4.38Å; A446-P486 HydrophobicContact CB-CG 4.19Å; K448-P486 HydrophobicContact CB-CB 3.95Å; K448-P486 HydrophobicContact CD-CB 4.13Å; K448-P486 HydrophobicContact CG-CB 3.92Å; P486-D490 WeakPolarHBondContact O-CB 3.26Å; P486-D490 PolarHBondContact O-N 3.4Å
487E85.9Confident89.5Confident118 Ų11849.6 Ų49.655%0.55125%0.253SS*.Hα-helixtrans-73-42.3-178.8-5868.8-147.100111.3S485 L489 D490 V491S485-E487 WeakPolarHBondContact CB-OE2 3.2Å; S485-E487 PolarHBondContact O-N 3.24Å; S485-E487 PolarHBondContact OG-N 3.44Å; S485-E487 PolarHBondContact OG-OE2 2.64Å; E487-L489 VanDerWaalsContact C-N 3.34Å; E487-D490 WeakPolarHBondContact O-CB 3.43Å; E487-D490 PolarHBondContact O-N 2.86Å; E487-V491 VanDerWaalsContact O-CG2 3.31Å; E487-V491 WeakPolarHBondContact O-CG2 3.33Å; E487-V491 PolarHBondContact O-N 3.47Å
488E86Confident88.9Confident73 Ų7343.8 Ų43.834%0.34123%0.231SC..Hα-helixtrans-63.7-42.1176.3-69.7176.513900111.5A484 S485 V491 F492 T511 L515A484-E488 WeakPolarHBondContact CA-OE2 3.42Å; A484-E488 HydrophobicContact CB-CB 4.12Å; S485-E488 PolarHBondContact N-OE2 2.85Å; S485-E488 PolarHBondContact O-N 2.96Å; S485-E488 PolarHBondContact OG-N 2.79Å; E488-V491 PolarHBondContact O-N 3.24Å; E488-F492 WeakPolarHBondContact O-CB 3.42Å; E488-F492 PolarHBondContact O-N 3.3Å; E488-T511 HydrophobicContact CB-CG2 3.85Å; E488-T511 HydrophobicContact CG-CG2 4.19Å; E488-T511 WeakPolarHBondContact O-CG2 3.5Å; E488-L515 HydrophobicContact CB-CD1 4.48Å
489L90.7Very high88.1Confident0 Ų037.2 Ų37.20%021%0.206CC..Hα-helixtrans-65.9-39.7177-175.861.9000111.6F443 A445 F450 V481 A484 S485 E487 F492 L493F443-L489 HydrophobicContact CB-CD2 4.19Å; F443-L489 HydrophobicContact CD1-CD1 4.32Å; A445-L489 HydrophobicContact CB-CB 4.12Å; A445-L489 HydrophobicContact CB-CD2 3.54Å; A445-L489 HydrophobicContact CB-CG 4.49Å; F450-L489 HydrophobicContact CD2-CD2 3.67Å; F450-L489 HydrophobicContact CD2-CG 3.96Å; F450-L489 HydrophobicContact CE2-CB 4.26Å; F450-L489 HydrophobicContact CE2-CD2 3.91Å; F450-L489 HydrophobicContact CE2-CG 4.06Å; V481-L489 HydrophobicContact CB-CD2 4.29Å; V481-L489 HydrophobicContact CG1-CD1 4.5Å; V481-L489 HydrophobicContact CG2-CD1 4.16Å; V481-L489 HydrophobicContact CG2-CD2 4.15Å; A484-L489 HydrophobicContact CB-CB 4.21Å; S485-L489 WeakPolarHBondContact O-CB 3.22Å; S485-L489 PolarHBondContact O-N 3.22Å; E487-L489 VanDerWaalsContact C-N 3.34Å; L489-F492 PolarHBondContact O-N 2.94Å; L489-L493 HydrophobicContact CD1-CD1 3.84Å; L489-L493 HydrophobicContact CD1-CD2 4.49Å; L489-L493 HydrophobicContact CD1-CG 3.89Å; L489-L493 HydrophobicContact CD2-CD1 4.47Å; L489-L493 HydrophobicContact CG-CD1 3.89Å; L489-L493 HydrophobicContact CG-CG 4.27Å; L489-L493 WeakPolarHBondContact O-CB 3.41Å; L489-L493 WeakPolarHBondContact O-CG 3.44Å; L489-L493 PolarHBondContact O-N 3.01Å
490D89.1Confident87.2Confident48 Ų4836.5 Ų36.526%0.25721%0.21SC..Hα-helixtrans-59.3-52.7173.5-168.6-9.9000110.7F450 P486 E487 F492 L493 S494F450-D490 HydrophobicContact CE1-CB 3.68Å; F450-D490 HydrophobicContact CZ-CB 3.61Å; P486-D490 WeakPolarHBondContact O-CB 3.26Å; P486-D490 PolarHBondContact O-N 3.4Å; E487-D490 WeakPolarHBondContact O-CB 3.43Å; E487-D490 PolarHBondContact O-N 2.86Å; D490-F492 VanDerWaalsContact C-N 3.26Å; D490-F492 PolarHBondContact O-N 3.1Å; D490-L493 PolarHBondContact O-N 3.25Å; D490-S494 WeakPolarHBondContact O-CA 3.39Å; D490-S494 WeakPolarHBondContact O-CB 3.44Å; D490-S494 PolarHBondContact O-N 2.93Å; D490-S494 PolarHBondContact O-OG 2.75Å; D490-S494 PolarHBondContact OD1-OG 2.79Å
491V84.8Confident86.7Confident55 Ų5537.2 Ų37.233%0.33320%0.204SC..Hα-helixtrans-55.2-44.1179169.50000111.1E487 E488 A495 N508 T511E487-V491 VanDerWaalsContact O-CG2 3.31Å; E487-V491 WeakPolarHBondContact O-CG2 3.33Å; E487-V491 PolarHBondContact O-N 3.47Å; E488-V491 PolarHBondContact O-N 3.24Å; V491-A495 VanDerWaalsContact O-CB 3.28Å; V491-A495 WeakPolarHBondContact O-CB 3.23Å; V491-A495 PolarHBondContact O-N 2.93Å; V491-N508 HydrophobicContact CG1-CB 3.59Å; V491-T511 HydrophobicContact CB-CG2 4.13Å; V491-T511 HydrophobicContact CG1-CG2 4Å
492F91.7Very high86.6Confident0 Ų038.3 Ų38.30%021%0.211CC..Hα-helixtrans-67.1-51.4179.7177.4-113000113.4F465 E488 L489 D490 S494 A495 L496 V512 L515 F519 L524F465-F492 HydrophobicContact CZ-CE1 4.17Å; F465-F492 HydrophobicContact CZ-CZ 4.32Å; E488-F492 WeakPolarHBondContact O-CB 3.42Å; E488-F492 PolarHBondContact O-N 3.3Å; L489-F492 PolarHBondContact O-N 2.94Å; D490-F492 VanDerWaalsContact C-N 3.26Å; D490-F492 PolarHBondContact O-N 3.1Å; F492-S494 VanDerWaalsContact C-N 3.32Å; F492-S494 PolarHBondContact O-N 2.73Å; F492-A495 WeakPolarHBondContact O-CB 3.4Å; F492-A495 PolarHBondContact O-N 3.45Å; F492-L496 HydrophobicContact CD1-CD1 4.17Å; F492-L496 HydrophobicContact CD2-CD1 4.33Å; F492-L496 HydrophobicContact CE1-CD1 3.69Å; F492-L496 HydrophobicContact CE2-CD1 3.91Å; F492-L496 HydrophobicContact CG-CD1 4.48Å; F492-L496 HydrophobicContact CZ-CD1 3.57Å; F492-L496 WeakPolarHBondContact O-CG 3.49Å; F492-L496 PolarHBondContact O-N 2.71Å; F492-L496 VanDerWaalsContact O-N 3.15Å; F492-V512 HydrophobicContact CD2-CG1 4.3Å; F492-V512 HydrophobicContact CE2-CG1 4.5Å; F492-L515 HydrophobicContact CB-CB 4.31Å; F492-L515 HydrophobicContact CB-CD1 3.46Å; F492-L515 VanDerWaalsContact CB-CD1 3.46Å; F492-L515 HydrophobicContact CD1-CB 4.07Å; F492-L515 HydrophobicContact CD1-CD1 4.15Å; F492-L515 HydrophobicContact CD2-CB 3.52Å; F492-L515 HydrophobicContact CD2-CD1 4.29Å; F492-L515 HydrophobicContact CE1-CB 4.19Å; F492-L515 HydrophobicContact CE2-CB 3.63Å; F492-L515 HydrophobicContact CG-CB 3.72Å; F492-L515 HydrophobicContact CG-CD1 3.74Å; F492-L515 HydrophobicContact CG-CG 4.37Å; F492-L515 HydrophobicContact CZ-CB 3.96Å; F492-F519 HydrophobicContact CD1-CD2 4.45Å; F492-F519 HydrophobicContact CD1-CE2 4.42Å; F492-F519 AromaticContact CE1-CD2 3.55Å; F492-F519 HydrophobicContact CE1-CD2 3.55Å; F492-F519 AromaticContact CE1-CE2 3.87Å; F492-F519 HydrophobicContact CE1-CE2 3.87Å; F492-F519 HydrophobicContact CE1-CG 4.36Å; F492-F519 HydrophobicContact CZ-CB 4.46Å; F492-F519 AromaticContact CZ-CD2 3.77Å; F492-F519 HydrophobicContact CZ-CD2 3.77Å; F492-F519 HydrophobicContact CZ-CG 4.42Å; F492-L524 HydrophobicContact CE2-CD2 3.69Å; F492-L524 HydrophobicContact CZ-CD2 4.36Å
493L93.3Very high86.2Confident0 Ų030.9 Ų30.90%017%0.172CC..Hα-helixtrans-68.8-35.1-179-66-179.3000111.4L432 F443 F450 V452 L489 D490 L496 C497L432-L493 HydrophobicContact CD1-CB 3.89Å; F443-L493 HydrophobicContact CB-CD1 3.92Å; F443-L493 HydrophobicContact CD1-CD1 4.46Å; F443-L493 HydrophobicContact CG-CD1 4.22Å; F450-L493 HydrophobicContact CB-CD1 3.47Å; F450-L493 VanDerWaalsContact CB-CD1 3.47Å; F450-L493 HydrophobicContact CD2-CD1 4.21Å; F450-L493 HydrophobicContact CG-CD1 3.87Å; V452-L493 HydrophobicContact CG1-CD1 4.01Å; V452-L493 HydrophobicContact CG1-CD2 4.12Å; V452-L493 HydrophobicContact CG1-CG 4.46Å; L489-L493 HydrophobicContact CD1-CD1 3.84Å; L489-L493 HydrophobicContact CD1-CD2 4.49Å; L489-L493 HydrophobicContact CD1-CG 3.89Å; L489-L493 HydrophobicContact CD2-CD1 4.47Å; L489-L493 HydrophobicContact CG-CD1 3.89Å; L489-L493 HydrophobicContact CG-CG 4.27Å; L489-L493 WeakPolarHBondContact O-CB 3.41Å; L489-L493 WeakPolarHBondContact O-CG 3.44Å; L489-L493 PolarHBondContact O-N 3.01Å; D490-L493 PolarHBondContact O-N 3.25Å; L493-L496 PolarHBondContact O-N 3.08Å; L493-C497 VanDerWaalsContact O-CB 3.27Å; L493-C497 WeakPolarHBondContact O-CB 3.45Å; L493-C497 PolarHBondContact O-N 3.47Å
494S88.3Confident86.2Confident11 Ų1128.5 Ų28.58%0.07716%0.155CC..Hα-helixtrans-60.3-47.4171.5-71.50000111.4D490 F492 L496 R498D490-S494 WeakPolarHBondContact O-CA 3.39Å; D490-S494 WeakPolarHBondContact O-CB 3.44Å; D490-S494 PolarHBondContact O-N 2.93Å; D490-S494 PolarHBondContact O-OG 2.75Å; D490-S494 PolarHBondContact OD1-OG 2.79Å; F492-S494 VanDerWaalsContact C-N 3.32Å; F492-S494 PolarHBondContact O-N 2.73Å; S494-L496 PolarHBondContact O-N 2.98Å; S494-R498 WeakPolarHBondContact O-CB 3.23Å; S494-R498 PolarHBondContact O-N 2.93Å; S494-R498 VanDerWaalsContact O-N 3.17Å; S494-R498 PolarHBondContact OG-NH1 3.45Å
495A87Confident85.9Confident4 Ų428.4 Ų28.43%0.03315%0.153CC..Hα-helixtrans-59.4-30.9176.600000112.8V491 F492 P502 V503 V512V491-A495 VanDerWaalsContact O-CB 3.28Å; V491-A495 WeakPolarHBondContact O-CB 3.23Å; V491-A495 PolarHBondContact O-N 2.93Å; F492-A495 WeakPolarHBondContact O-CB 3.4Å; F492-A495 PolarHBondContact O-N 3.45Å; A495-P502 CarbonylContact O-C 3.55Å; A495-P502 WeakPolarHBondContact O-CA 3.44Å; A495-V503 PolarHBondContact O-N 2.93Å; A495-V512 HydrophobicContact CB-CG2 3.48Å; A495-V512 VanDerWaalsContact CB-CG2 3.48Å
496L90.7Very high85Confident0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-86.5-49-178.8-71.6178.1000113.4Y456 L457 L460 F492 L493 S494 P502 L524Y456-L496 WeakPolarHBondContact CE1-O 3.5Å; Y456-L496 VanDerWaalsContact CZ-O 3.31Å; Y456-L496 PolarHBondContact OH-O 3.05Å; L457-L496 HydrophobicContact CD2-CB 4.26Å; L457-L496 HydrophobicContact CD2-CD1 3.96Å; L460-L496 HydrophobicContact CD1-CD1 4.45Å; L460-L496 HydrophobicContact CD1-CD2 3.62Å; F492-L496 HydrophobicContact CD1-CD1 4.17Å; F492-L496 HydrophobicContact CD2-CD1 4.33Å; F492-L496 HydrophobicContact CE1-CD1 3.69Å; F492-L496 HydrophobicContact CE2-CD1 3.91Å; F492-L496 HydrophobicContact CG-CD1 4.48Å; F492-L496 HydrophobicContact CZ-CD1 3.57Å; F492-L496 WeakPolarHBondContact O-CG 3.49Å; F492-L496 PolarHBondContact O-N 2.71Å; F492-L496 VanDerWaalsContact O-N 3.15Å; L493-L496 PolarHBondContact O-N 3.08Å; S494-L496 PolarHBondContact O-N 2.98Å; L496-P502 HydrophobicContact CD2-CB 3.93Å; L496-P502 HydrophobicContact CD2-CG 3.92Å; L496-L524 HydrophobicContact CD1-CD2 4.35Å; L496-L524 HydrophobicContact CD2-CD1 3.93Å; L496-L524 HydrophobicContact CD2-CD2 3.51Å; L496-L524 HydrophobicContact CD2-CG 4.36Å; L496-L524 HydrophobicContact CG-CD2 4.22Å
497C89.7Confident84.3Confident12 Ų1240.5 Ų40.58%0.08119%0.193CC..Hα-helixtrans-101.3-31.5-161.3-61.90000113L432 L493 Y499 G500L432-C497 HydrophobicContact CD2-CB 3.9Å; L493-C497 VanDerWaalsContact O-CB 3.27Å; L493-C497 WeakPolarHBondContact O-CB 3.45Å; L493-C497 PolarHBondContact O-N 3.47Å; C497-Y499 VanDerWaalsContact C-N 3.29Å; C497-Y499 PolarHBondContact O-N 3.26Å; C497-G500 PolarHBondContact O-N 3.23Å
498R82.8Confident84.1Confident25 Ų2535.4 Ų35.49%0.09417%0.17CC..THydrogen-bonded Turntrans-61.3-35.4-169.2179.8157.8-74.9135.52.3113.2E359 V427 R428 R429 D430 S494E359-R498 WeakPolarHBondContact OE2-CD 3.45Å; E359-R498 IonicContact OE2-NE 2.65Å; V427-R498 HydrophobicContact CB-CG 4.26Å; V427-R498 HydrophobicContact CG1-CG 3.74Å; V427-R498 HydrophobicContact CG2-CG 3.55Å; R428-R498 PolarHBondContact N-O 2.91Å; R429-R498 PolarHBondContact N-O 3.38Å; R429-R498 VanDerWaalsContact N-O 3.09Å; R429-R498 VanDerWaalsContact O-CG 3.28Å; R429-R498 WeakPolarHBondContact O-CG 3.45Å; R429-R498 PolarHBondContact O-NE 2.58Å; D430-R498 PolarHBondContact O-NE 2.97Å; D430-R498 PolarHBondContact O-NH2 3.41Å; S494-R498 WeakPolarHBondContact O-CB 3.23Å; S494-R498 PolarHBondContact O-N 2.93Å; S494-R498 VanDerWaalsContact O-N 3.17Å; S494-R498 PolarHBondContact OG-NH1 3.45Å
499Y78.1Confident84.2Confident14 Ų1432.9 Ų32.96%0.05516%0.157CC..THydrogen-bonded Turntrans-106.63-175.2-57-82.2000114.3L361 L425 V427 C497 R501 V503L361-Y499 HydrophobicContact CB-CD1 4.27Å; L361-Y499 HydrophobicContact CB-CE1 3.9Å; L425-Y499 HydrophobicContact CB-CD1 4.06Å; V427-Y499 HydrophobicContact CG2-CD1 3.63Å; V427-Y499 HydrophobicContact CG2-CE1 3.2Å; C497-Y499 VanDerWaalsContact C-N 3.29Å; C497-Y499 PolarHBondContact O-N 3.26Å; Y499-R501 PolarHBondContact O-N 2.84Å; Y499-V503 HydrophobicContact CD2-CB 4.06Å; Y499-V503 HydrophobicContact CD2-CG2 3.67Å; Y499-V503 HydrophobicContact CE2-CG2 4.48Å; Y499-V503 HydrophobicContact CG-CG2 3.92Å
500G77.9Confident84Confident28 Ų2836.4 Ų36.429%0.28918%0.175SC..SBendtrans71.23.1-176.200000115.7C497C497-G500 PolarHBondContact O-N 3.23Å
501R84.6Confident83.9Confident93 Ų9335.7 Ų35.735%0.35117%0.173SC..SBendtrans-148.7158166.968.3-178.8-162.9-179.59108.5E423 L425 Y456 Y499E423-R501 IonicContact OE1-CZ 3.8Å; E423-R501 IonicContact OE1-NH1 3.6Å; E423-R501 PolarHBondContact OE1-NH1 3.29Å; E423-R501 IonicContact OE1-NH2 2.68Å; E423-R501 PolarHBondContact OE1-NH2 3.2Å; E423-R501 IonicContact OE2-CZ 2.7Å; E423-R501 IonicContact OE2-NH1 2.71Å; E423-R501 IonicContact OE2-NH2 3.55Å; E423-R501 PolarHBondContact OE2-NH2 3.46Å; L425-R501 HydrophobicContact CD1-CG 4.49Å; Y456-R501 WeakPolarHBondContact OH-CA 3.49Å; Y456-R501 PolarHBondContact OH-N 3.47Å; Y499-R501 PolarHBondContact O-N 2.84Å
502P88.4Confident84.3Confident30 Ų3033 Ų3320%0.19516%0.157CC..  trans-63.8136.2175.4-21.833.7000112.8Y456 L460 A495 L496 L524 L527Y456-P502 WeakPolarHBondContact OH-CD 3.38Å; L460-P502 HydrophobicContact CD1-CG 4.33Å; L460-P502 HydrophobicContact CD2-CG 3.81Å; A495-P502 CarbonylContact O-C 3.55Å; A495-P502 WeakPolarHBondContact O-CA 3.44Å; L496-P502 HydrophobicContact CD2-CB 3.93Å; L496-P502 HydrophobicContact CD2-CG 3.92Å; P502-L524 HydrophobicContact CB-CD1 3.53Å; P502-L524 HydrophobicContact CG-CD1 4.26Å; P502-L527 HydrophobicContact CB-CD2 3.81Å
503V82.5Confident84.4Confident5 Ų533 Ų333%0.0316%0.157CC..  trans-126.1118.1-179.5170.50000110.1L361 L425 A495 Y499 T505 N508L361-V503 HydrophobicContact CD1-CG1 3.69Å; L361-V503 HydrophobicContact CD2-CB 4.26Å; L361-V503 HydrophobicContact CD2-CG1 3.36Å; L361-V503 HydrophobicContact CD2-CG2 3.85Å; L361-V503 HydrophobicContact CG-CG1 4.16Å; L425-V503 HydrophobicContact CD1-CG2 3.85Å; A495-V503 PolarHBondContact O-N 2.93Å; Y499-V503 HydrophobicContact CD2-CB 4.06Å; Y499-V503 HydrophobicContact CD2-CG2 3.67Å; Y499-V503 HydrophobicContact CE2-CG2 4.48Å; Y499-V503 HydrophobicContact CG-CG2 3.92Å; V503-T505 HydrophobicContact CG1-CG2 3.9Å; V503-N508 PolarHBondContact O-ND2 2.92Å
504I82.8Confident84.3Confident11 Ų1135.9 Ų35.96%0.05618%0.177CC..  trans-106.5130.2176.9-51.8-54.5000109.5N508 W509 V512 L524 L527 C528 F531I504-N508 WeakPolarHBondContact CA-OD1 3.43Å; I504-W509 HydrophobicContact CG2-CB 3.46Å; I504-W509 VanDerWaalsContact CG2-CB 3.46Å; I504-V512 HydrophobicContact CD1-CB 4.02Å; I504-V512 HydrophobicContact CD1-CG1 3.41Å; I504-V512 VanDerWaalsContact CD1-CG1 3.41Å; I504-V512 HydrophobicContact CD1-CG2 4.41Å; I504-L524 HydrophobicContact CD1-CD1 3.85Å; I504-L527 HydrophobicContact CD1-CD2 4.32Å; I504-L527 HydrophobicContact CG1-CB 4.14Å; I504-L527 HydrophobicContact CG1-CD2 3.6Å; I504-L527 HydrophobicContact CG1-CG 3.58Å; I504-C528 VanDerWaalsContact CD1-SG 3.55Å; I504-F531 HydrophobicContact CB-CB 4.28Å; I504-F531 HydrophobicContact CB-CG 4.39Å; I504-F531 HydrophobicContact CG2-CB 3.72Å; I504-F531 HydrophobicContact CG2-CD1 3.89Å; I504-F531 HydrophobicContact CG2-CD2 4.06Å; I504-F531 HydrophobicContact CG2-CG 3.6Å
505T76.7Confident84.5Confident9 Ų935.7 Ų35.76%0.05518%0.175CC..  trans-132.2169.2-179.973.20000109.8L361 I383 V503 K507 N508 W509 F531L361-T505 HydrophobicContact CD1-CG2 4.22Å; I383-T505 HydrophobicContact CD1-CG2 4.5Å; I383-T505 HydrophobicContact CG1-CG2 4.4Å; V503-T505 HydrophobicContact CG1-CG2 3.9Å; T505-K507 PolarHBondContact O-N 3.41Å; T505-K507 VanDerWaalsContact O-N 3.12Å; T505-K507 PolarHBondContact OG1-N 3.31Å; T505-N508 PolarHBondContact N-OD1 3.32Å; T505-N508 PolarHBondContact O-N 3.48Å; T505-N508 PolarHBondContact O-OD1 3.33Å; T505-N508 PolarHBondContact OG1-N 3.36Å; T505-N508 PolarHBondContact OG1-OD1 2.94Å; T505-W509 WeakPolarHBondContact O-CB 3.44Å; T505-W509 PolarHBondContact O-N 2.9Å; T505-W509 VanDerWaalsContact O-N 3.08Å; T505-F531 VanDerWaalsContact C-CZ 3.45Å
506R70.5Confident84.9Confident189 Ų18935.5 Ų35.571%0.71317%0.173SC*.THydrogen-bonded Turntrans-56.8-29.1174.8-170-176.6-66.3-158.33112.9W509 F531R506-W509 VanDerWaalsContact O-CD1 3.3Å; R506-F531 HydrophobicContact CB-CZ 4.14Å; R506-F531 VanDerWaalsContact N-CZ 3.28Å
507K69Low85Confident126 Ų12639.2 Ų39.255%0.54819%0.193SC..THydrogen-bonded Turntrans-85.4-30.3-175.5-63.1-174.9-178.21780113.2D393 T505D393-K507 IonicContact OD1-NZ 2.74Å; D393-K507 PolarHBondContact OD1-NZ 2.92Å; D393-K507 IonicContact OD2-NZ 3.26Å; D393-K507 PolarHBondContact OD2-NZ 3.48Å; T505-K507 PolarHBondContact O-N 3.41Å; T505-K507 VanDerWaalsContact O-N 3.12Å; T505-K507 PolarHBondContact OG1-N 3.31Å
508N81.5Confident85.1Confident11 Ų1141.8 Ų41.86%0.05920%0.204CC..THydrogen-bonded Turntrans-109.3-16.7-171.373.87.9000114.4V491 V503 I504 T505 L510 T511 V512V491-N508 HydrophobicContact CG1-CB 3.59Å; V503-N508 PolarHBondContact O-ND2 2.92Å; I504-N508 WeakPolarHBondContact CA-OD1 3.43Å; T505-N508 PolarHBondContact N-OD1 3.32Å; T505-N508 PolarHBondContact O-N 3.48Å; T505-N508 PolarHBondContact O-OD1 3.33Å; T505-N508 PolarHBondContact OG1-N 3.36Å; T505-N508 PolarHBondContact OG1-OD1 2.94Å; N508-L510 PolarHBondContact O-N 3.17Å; N508-T511 PolarHBondContact O-N 3.24Å; N508-V512 HydrophobicContact CB-CG2 3.99Å; N508-V512 WeakPolarHBondContact O-CB 3.21Å; N508-V512 VanDerWaalsContact O-CG2 3.25Å; N508-V512 WeakPolarHBondContact O-CG2 3.22Å; N508-V512 PolarHBondContact O-N 3.4Å
509W87.6Confident85.6Confident20 Ų2040.9 Ų40.98%0.07620%0.201CC..Hα-helixtrans-55.9-35.4-166.574.8-88.6000113.5I504 T505 R506 L513 F531 L532 Y546I504-W509 HydrophobicContact CG2-CB 3.46Å; I504-W509 VanDerWaalsContact CG2-CB 3.46Å; T505-W509 WeakPolarHBondContact O-CB 3.44Å; T505-W509 PolarHBondContact O-N 2.9Å; T505-W509 VanDerWaalsContact O-N 3.08Å; R506-W509 VanDerWaalsContact O-CD1 3.3Å; W509-L513 HydrophobicContact CE3-CD2 4.2Å; W509-L513 HydrophobicContact CZ3-CD2 3.86Å; W509-L513 WeakPolarHBondContact O-CB 3.38Å; W509-L513 PolarHBondContact O-N 3.49Å; W509-F531 HydrophobicContact CB-CD1 3.85Å; W509-F531 HydrophobicContact CB-CE1 3.96Å; W509-F531 AromaticContact CD1-CE1 3.76Å; W509-F531 HydrophobicContact CG-CD1 4.06Å; W509-F531 AromaticContact CG-CE1 3.87Å; W509-F531 HydrophobicContact CG-CE1 3.87Å; W509-L532 HydrophobicContact CD2-CD2 3.86Å; W509-L532 HydrophobicContact CD2-CG 4.37Å; W509-L532 HydrophobicContact CE3-CD1 3.8Å; W509-L532 HydrophobicContact CE3-CD2 3.9Å; W509-L532 HydrophobicContact CE3-CG 4.03Å; W509-L532 HydrophobicContact CH2-CD1 4.16Å; W509-L532 HydrophobicContact CH2-CD2 3.93Å; W509-L532 HydrophobicContact CZ2-CD2 3.91Å; W509-L532 HydrophobicContact CZ3-CD1 3.57Å; W509-L532 HydrophobicContact CZ3-CD2 3.95Å; W509-L532 HydrophobicContact CZ3-CG 4.18Å; W509-Y546 AromaticContact CH2-CD1 3.98Å; W509-Y546 HydrophobicContact CH2-CD1 3.98Å; W509-Y546 AromaticContact CH2-CD2 3.59Å; W509-Y546 HydrophobicContact CH2-CD2 3.59Å; W509-Y546 HydrophobicContact CH2-CE1 4.04Å; W509-Y546 AromaticContact CH2-CE2 3.65Å; W509-Y546 HydrophobicContact CH2-CE2 3.65Å; W509-Y546 AromaticContact CH2-CG 3.77Å; W509-Y546 HydrophobicContact CH2-CG 3.77Å; W509-Y546 AromaticContact CH2-CZ 3.89Å; W509-Y546 HydrophobicContact CZ2-CD2 4.07Å; W509-Y546 HydrophobicContact CZ2-CE1 4.45Å; W509-Y546 AromaticContact CZ2-CE2 3.69Å; W509-Y546 HydrophobicContact CZ2-CE2 3.69Å; W509-Y546 AromaticContact CZ2-CZ 3.91Å
510L87.6Confident86.3Confident73 Ų7341.5 Ų41.538%0.38221%0.211SC..Hα-helixtrans-70.3-52-177.1-175.762.8000111.3N508 V512 L513 S514 Y550N508-L510 PolarHBondContact O-N 3.17Å; L510-V512 VanDerWaalsContact C-N 3.27Å; L510-V512 PolarHBondContact O-N 3.44Å; L510-L513 PolarHBondContact O-N 2.9Å; L510-S514 WeakPolarHBondContact O-CB 3.3Å; L510-S514 PolarHBondContact O-N 3.37Å; L510-Y550 HydrophobicContact CD1-CE2 3.87Å; L510-Y550 VanDerWaalsContact CD1-OH 3.25Å; L510-Y550 WeakPolarHBondContact CD1-OH 3.41Å
511T87Confident87Confident33 Ų3340.2 Ų40.220%0.20220%0.197CC..Hα-helixtrans-59.8-42.5174.8-53.40000110.5E488 V491 N508 S514 L515E488-T511 HydrophobicContact CB-CG2 3.85Å; E488-T511 HydrophobicContact CG-CG2 4.19Å; E488-T511 WeakPolarHBondContact O-CG2 3.5Å; V491-T511 HydrophobicContact CB-CG2 4.13Å; V491-T511 HydrophobicContact CG1-CG2 4Å; N508-T511 PolarHBondContact O-N 3.24Å; T511-S514 PolarHBondContact O-N 2.72Å; T511-L515 HydrophobicContact CG2-CD1 4.21Å; T511-L515 PolarHBondContact O-N 3Å
512V92.5Very high87.4Confident0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-65.6-43.1179.1177.70000111.5F492 A495 I504 N508 L510 A516 L524F492-V512 HydrophobicContact CD2-CG1 4.3Å; F492-V512 HydrophobicContact CE2-CG1 4.5Å; A495-V512 HydrophobicContact CB-CG2 3.48Å; A495-V512 VanDerWaalsContact CB-CG2 3.48Å; I504-V512 HydrophobicContact CD1-CB 4.02Å; I504-V512 HydrophobicContact CD1-CG1 3.41Å; I504-V512 VanDerWaalsContact CD1-CG1 3.41Å; I504-V512 HydrophobicContact CD1-CG2 4.41Å; N508-V512 HydrophobicContact CB-CG2 3.99Å; N508-V512 WeakPolarHBondContact O-CB 3.21Å; N508-V512 VanDerWaalsContact O-CG2 3.25Å; N508-V512 WeakPolarHBondContact O-CG2 3.22Å; N508-V512 PolarHBondContact O-N 3.4Å; L510-V512 VanDerWaalsContact C-N 3.27Å; L510-V512 PolarHBondContact O-N 3.44Å; V512-A516 WeakPolarHBondContact O-CA 3.49Å; V512-A516 WeakPolarHBondContact O-CB 3.44Å; V512-A516 PolarHBondContact O-N 3.34Å; V512-L524 HydrophobicContact CG1-CD1 3.87Å; V512-L524 HydrophobicContact CG1-CD2 3.58Å; V512-L524 HydrophobicContact CG1-CG 3.63Å
513L94.2Very high87.6Confident0 Ų041.1 Ų41.10%021%0.211CC..Hα-helixtrans-63.2-46.8176.6176.261.2000111.6W509 L510 L515 A516 L517 V525 C528 Y550 L552W509-L513 HydrophobicContact CE3-CD2 4.2Å; W509-L513 HydrophobicContact CZ3-CD2 3.86Å; W509-L513 WeakPolarHBondContact O-CB 3.38Å; W509-L513 PolarHBondContact O-N 3.49Å; L510-L513 PolarHBondContact O-N 2.9Å; L513-L515 PolarHBondContact O-N 3.29Å; L513-A516 WeakPolarHBondContact O-CB 3.32Å; L513-A516 PolarHBondContact O-N 2.8Å; L513-L517 HydrophobicContact CD1-CD1 4.16Å; L513-L517 HydrophobicContact CD1-CG 4.25Å; L513-L517 HydrophobicContact CG-CD1 4.22Å; L513-L517 WeakPolarHBondContact O-CG 3.41Å; L513-L517 PolarHBondContact O-N 2.87Å; L513-V525 HydrophobicContact CD1-CB 4.4Å; L513-V525 HydrophobicContact CD1-CG1 3.97Å; L513-V525 HydrophobicContact CD1-CG2 4.32Å; L513-C528 HydrophobicContact CB-CB 4.11Å; L513-C528 HydrophobicContact CD1-CB 4.09Å; L513-Y550 HydrophobicContact CD2-CD1 4.07Å; L513-Y550 HydrophobicContact CD2-CD2 3.68Å; L513-Y550 HydrophobicContact CD2-CE2 4.29Å; L513-Y550 HydrophobicContact CD2-CG 3.56Å; L513-Y550 HydrophobicContact CG-CD1 4.33Å; L513-Y550 HydrophobicContact CG-CG 4.26Å; L513-L552 HydrophobicContact CD1-CD2 4.24Å; L513-L552 HydrophobicContact CD2-CD1 4.05Å
514S91.6Very high88.1Confident60 Ų6041 Ų4142%0.4221%0.21SC..Hα-helixtrans-56.6-52.3179.3-176.90000111.2L510 T511 L517 E518L510-S514 WeakPolarHBondContact O-CB 3.3Å; L510-S514 PolarHBondContact O-N 3.37Å; T511-S514 PolarHBondContact O-N 2.72Å; S514-L517 PolarHBondContact O-N 3.24Å; S514-E518 PolarHBondContact O-N 3.11Å; S514-E518 VanDerWaalsContact O-N 3.08Å
515L92.7Very high88.7Confident6 Ų641.3 Ų41.33%0.03121%0.212CC..Hα-helixtrans-74.6-27.3179.7-67174.6000112.4A484 E488 F492 T511 L513 E518 F519A484-L515 HydrophobicContact CB-CD1 4.05Å; A484-L515 HydrophobicContact CB-CD2 3.89Å; E488-L515 HydrophobicContact CB-CD1 4.48Å; F492-L515 HydrophobicContact CB-CB 4.31Å; F492-L515 HydrophobicContact CB-CD1 3.46Å; F492-L515 VanDerWaalsContact CB-CD1 3.46Å; F492-L515 HydrophobicContact CD1-CB 4.07Å; F492-L515 HydrophobicContact CD1-CD1 4.15Å; F492-L515 HydrophobicContact CD2-CB 3.52Å; F492-L515 HydrophobicContact CD2-CD1 4.29Å; F492-L515 HydrophobicContact CE1-CB 4.19Å; F492-L515 HydrophobicContact CE2-CB 3.63Å; F492-L515 HydrophobicContact CG-CB 3.72Å; F492-L515 HydrophobicContact CG-CD1 3.74Å; F492-L515 HydrophobicContact CG-CG 4.37Å; F492-L515 HydrophobicContact CZ-CB 3.96Å; T511-L515 HydrophobicContact CG2-CD1 4.21Å; T511-L515 PolarHBondContact O-N 3Å; L513-L515 PolarHBondContact O-N 3.29Å; L515-E518 VanDerWaalsContact CD2-OE2 3.25Å; L515-E518 WeakPolarHBondContact CD2-OE2 3.39Å; L515-E518 PolarHBondContact O-N 3.07Å; L515-F519 HydrophobicContact CB-CD2 4.29Å; L515-F519 HydrophobicContact CD2-CE2 4.4Å; L515-F519 WeakPolarHBondContact O-CB 3.33Å; L515-F519 VanDerWaalsContact O-CD2 3.25Å; L515-F519 WeakPolarHBondContact O-CD2 3.06Å; L515-F519 PolarHBondContact O-N 3.1Å
516A94.9Very high89.6Confident0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-61.5-45.8170.600000111.4V512 L513 E518 G520 V521 L524 V525V512-A516 WeakPolarHBondContact O-CA 3.49Å; V512-A516 WeakPolarHBondContact O-CB 3.44Å; V512-A516 PolarHBondContact O-N 3.34Å; L513-A516 WeakPolarHBondContact O-CB 3.32Å; L513-A516 PolarHBondContact O-N 2.8Å; A516-E518 VanDerWaalsContact C-N 3.32Å; A516-G520 CarbonylContact O-C 3.42Å; A516-G520 WeakPolarHBondContact O-CA 3.39Å; A516-G520 PolarHBondContact O-N 3.49Å; A516-V521 HydrophobicContact CB-CB 4.37Å; A516-V521 PolarHBondContact O-N 3.39Å; A516-L524 HydrophobicContact CB-CB 3.95Å; A516-L524 HydrophobicContact CB-CD2 3.82Å; A516-L524 HydrophobicContact CB-CG 3.95Å; A516-V525 HydrophobicContact CB-CG2 3.79Å
517L93.1Very high90.6Very high79 Ų7941.4 Ų41.441%0.41422%0.216SC..Hα-helixtrans-62.7-42.4176.2-72.1167.1000110.7L513 S514 G520 V525 Y550L513-L517 HydrophobicContact CD1-CD1 4.16Å; L513-L517 HydrophobicContact CD1-CG 4.25Å; L513-L517 HydrophobicContact CG-CD1 4.22Å; L513-L517 WeakPolarHBondContact O-CG 3.41Å; L513-L517 PolarHBondContact O-N 2.87Å; S514-L517 PolarHBondContact O-N 3.24Å; L517-G520 PolarHBondContact O-N 3.01Å; L517-V525 HydrophobicContact CD2-CG1 4.32Å; L517-V525 HydrophobicContact CD2-CG2 3.88Å; L517-V525 HydrophobicContact CG-CG2 4.12Å; L517-Y550 HydrophobicContact CD1-CD1 3.77Å; L517-Y550 HydrophobicContact CD1-CG 4.43Å
518E90.5Very high91.7Very high65 Ų6535.4 Ų35.430%0.30419%0.19SC..Hα-helixtrans-64.5-51.3177.4-165.4-154.5153.800111.8K464 S483 S514 L515 A516 G520K464-E518 VanDerWaalsContact CD-O 3.32Å; K464-E518 WeakPolarHBondContact CD-O 3.47Å; K464-E518 VanDerWaalsContact CE-O 3.28Å; K464-E518 WeakPolarHBondContact CE-O 3.49Å; K464-E518 PolarHBondContact NZ-O 3.2Å; S483-E518 VanDerWaalsContact CB-CD 3.46Å; S483-E518 WeakPolarHBondContact CB-OE1 3.48Å; S483-E518 WeakPolarHBondContact CB-OE2 3.31Å; S483-E518 PolarHBondContact OG-OE1 2.79Å; S483-E518 PolarHBondContact OG-OE2 2.79Å; S514-E518 PolarHBondContact O-N 3.11Å; S514-E518 VanDerWaalsContact O-N 3.08Å; L515-E518 VanDerWaalsContact CD2-OE2 3.25Å; L515-E518 WeakPolarHBondContact CD2-OE2 3.39Å; L515-E518 PolarHBondContact O-N 3.07Å; A516-E518 VanDerWaalsContact C-N 3.32Å; E518-G520 PolarHBondContact O-N 3.17Å
519F93.1Very high92.3Very high7 Ų735.3 Ų35.33%0.03119%0.189CC..Hα-helixtrans-74.8-2.2179-75.1-74.6000113F443 S462 F465 V481 F492 L515 V521F443-F519 AromaticContact CE1-CE1 3.96Å; F443-F519 HydrophobicContact CE1-CE1 3.96Å; F443-F519 AromaticContact CE1-CZ 3.98Å; F443-F519 HydrophobicContact CE1-CZ 3.98Å; S462-F519 PolarHBondContact OG-O 3.33Å; F465-F519 HydrophobicContact CD1-CD1 4.19Å; F465-F519 HydrophobicContact CE1-CB 4.11Å; F465-F519 AromaticContact CE1-CD1 3.41Å; F465-F519 HydrophobicContact CE1-CD1 3.41Å; F465-F519 VanDerWaalsContact CE1-CD1 3.41Å; F465-F519 AromaticContact CE1-CE1 3.95Å; F465-F519 HydrophobicContact CE1-CE1 3.95Å; F465-F519 AromaticContact CE1-CG 3.79Å; F465-F519 HydrophobicContact CE1-CG 3.79Å; F465-F519 HydrophobicContact CE2-CB 4.33Å; F465-F519 HydrophobicContact CZ-CB 3.78Å; F465-F519 AromaticContact CZ-CD1 3.9Å; F465-F519 HydrophobicContact CZ-CD1 3.9Å; F465-F519 HydrophobicContact CZ-CD2 4.38Å; F465-F519 AromaticContact CZ-CG 3.76Å; F465-F519 HydrophobicContact CZ-CG 3.76Å; V481-F519 HydrophobicContact CG1-CZ 4.18Å; V481-F519 HydrophobicContact CG2-CZ 4Å; F492-F519 HydrophobicContact CD1-CD2 4.45Å; F492-F519 HydrophobicContact CD1-CE2 4.42Å; F492-F519 AromaticContact CE1-CD2 3.55Å; F492-F519 HydrophobicContact CE1-CD2 3.55Å; F492-F519 AromaticContact CE1-CE2 3.87Å; F492-F519 HydrophobicContact CE1-CE2 3.87Å; F492-F519 HydrophobicContact CE1-CG 4.36Å; F492-F519 HydrophobicContact CZ-CB 4.46Å; F492-F519 AromaticContact CZ-CD2 3.77Å; F492-F519 HydrophobicContact CZ-CD2 3.77Å; F492-F519 HydrophobicContact CZ-CG 4.42Å; L515-F519 HydrophobicContact CB-CD2 4.29Å; L515-F519 HydrophobicContact CD2-CE2 4.4Å; L515-F519 WeakPolarHBondContact O-CB 3.33Å; L515-F519 VanDerWaalsContact O-CD2 3.25Å; L515-F519 WeakPolarHBondContact O-CD2 3.06Å; L515-F519 PolarHBondContact O-N 3.1Å; F519-V521 HydrophobicContact CB-CG2 3.7Å
520G92.7Very high92.5Very high27 Ų2737.7 Ų37.728%0.27821%0.206SC..THydrogen-bonded Turntrans61.345.6179.900000112.5S462 A516 L517 E518S462-G520 WeakPolarHBondContact CA-O 3.43Å; A516-G520 CarbonylContact O-C 3.42Å; A516-G520 WeakPolarHBondContact O-CA 3.39Å; A516-G520 PolarHBondContact O-N 3.49Å; L517-G520 PolarHBondContact O-N 3.01Å; E518-G520 PolarHBondContact O-N 3.17Å
521V94.7Very high92.5Very high0 Ų036.2 Ų36.20%020%0.197CC..  trans-99.175-178.8-161.80000109.4L460 F465 A516 F519 S523 L524 V525L460-V521 HydrophobicContact CB-CG1 3.93Å; L460-V521 HydrophobicContact CD1-CG1 4.49Å; F465-V521 HydrophobicContact CD2-CG2 4.2Å; F465-V521 HydrophobicContact CE2-CG2 3.57Å; F465-V521 HydrophobicContact CZ-CG2 4.23Å; A516-V521 HydrophobicContact CB-CB 4.37Å; A516-V521 PolarHBondContact O-N 3.39Å; F519-V521 HydrophobicContact CB-CG2 3.7Å; V521-S523 PolarHBondContact O-N 3.38Å; V521-S523 VanDerWaalsContact O-N 3.14Å; V521-L524 HydrophobicContact CB-CB 3.92Å; V521-L524 HydrophobicContact CB-CD2 4.41Å; V521-L524 HydrophobicContact CG1-CB 3.63Å; V521-L524 HydrophobicContact CG1-CD2 4.32Å; V521-L524 WeakPolarHBondContact O-CA 3.5Å; V521-L524 WeakPolarHBondContact O-CB 3.12Å; V521-L524 PolarHBondContact O-N 3.48Å; V521-V525 PolarHBondContact O-N 2.89Å; V521-V525 VanDerWaalsContact O-N 3.08Å
522D92.6Very high92.6Very high102 Ų10234.6 Ų34.655%0.54519%0.187SC..Hα-helixtrans-58.7-31.9-172.9-63-29.9000113.8L524 V525 R526D522-L524 VanDerWaalsContact C-N 3.27Å; D522-L524 PolarHBondContact O-N 2.74Å; D522-V525 PolarHBondContact O-N 3.38Å; D522-R526 WeakPolarHBondContact O-CG 3.3Å; D522-R526 PolarHBondContact O-N 3.41Å; D522-R526 PolarHBondContact O-NH1 3.3Å
523S92.3Very high92.3Very high40 Ų4036.4 Ų36.428%0.2820%0.196SC..Hα-helixtrans-61-37.6174.856.60000112.1L460 V521 L527L460-S523 PolarHBondContact O-OG 2.99Å; V521-S523 PolarHBondContact O-N 3.38Å; V521-S523 VanDerWaalsContact O-N 3.14Å; S523-L527 PolarHBondContact O-N 3.06Å; S523-L527 VanDerWaalsContact O-N 3.15Å
524L93.6Very high91.7Very high2 Ų241 Ų411%0.0122%0.221CC..Hα-helixtrans-78.2-37.4179.7-16660.1000111.7F492 L496 P502 I504 V512 A516 V521 D522 R526 L527 C528F492-L524 HydrophobicContact CE2-CD2 3.69Å; F492-L524 HydrophobicContact CZ-CD2 4.36Å; L496-L524 HydrophobicContact CD1-CD2 4.35Å; L496-L524 HydrophobicContact CD2-CD1 3.93Å; L496-L524 HydrophobicContact CD2-CD2 3.51Å; L496-L524 HydrophobicContact CD2-CG 4.36Å; L496-L524 HydrophobicContact CG-CD2 4.22Å; P502-L524 HydrophobicContact CB-CD1 3.53Å; P502-L524 HydrophobicContact CG-CD1 4.26Å; I504-L524 HydrophobicContact CD1-CD1 3.85Å; V512-L524 HydrophobicContact CG1-CD1 3.87Å; V512-L524 HydrophobicContact CG1-CD2 3.58Å; V512-L524 HydrophobicContact CG1-CG 3.63Å; A516-L524 HydrophobicContact CB-CB 3.95Å; A516-L524 HydrophobicContact CB-CD2 3.82Å; A516-L524 HydrophobicContact CB-CG 3.95Å; V521-L524 HydrophobicContact CB-CB 3.92Å; V521-L524 HydrophobicContact CB-CD2 4.41Å; V521-L524 HydrophobicContact CG1-CB 3.63Å; V521-L524 HydrophobicContact CG1-CD2 4.32Å; V521-L524 WeakPolarHBondContact O-CA 3.5Å; V521-L524 WeakPolarHBondContact O-CB 3.12Å; V521-L524 PolarHBondContact O-N 3.48Å; D522-L524 VanDerWaalsContact C-N 3.27Å; D522-L524 PolarHBondContact O-N 2.74Å; L524-R526 VanDerWaalsContact C-N 3.32Å; L524-R526 PolarHBondContact O-N 2.98Å; L524-L527 HydrophobicContact CD1-CD2 4.26Å; L524-L527 WeakPolarHBondContact O-CB 3.25Å; L524-L527 PolarHBondContact O-N 2.99Å; L524-L527 VanDerWaalsContact O-N 3.11Å; L524-C528 PolarHBondContact O-N 3.19Å; L524-C528 PolarHBondContact O-SG 3.29Å
525V95.3Very high91.1Very high18 Ų1838.8 Ų38.811%0.10921%0.207CC..Hα-helixtrans-57.6-47171.1177.30000110.3L513 A516 L517 V521 D522 L527 C528 E529 L552L513-V525 HydrophobicContact CD1-CB 4.4Å; L513-V525 HydrophobicContact CD1-CG1 3.97Å; L513-V525 HydrophobicContact CD1-CG2 4.32Å; A516-V525 HydrophobicContact CB-CG2 3.79Å; L517-V525 HydrophobicContact CD2-CG1 4.32Å; L517-V525 HydrophobicContact CD2-CG2 3.88Å; L517-V525 HydrophobicContact CG-CG2 4.12Å; V521-V525 PolarHBondContact O-N 2.89Å; V521-V525 VanDerWaalsContact O-N 3.08Å; D522-V525 PolarHBondContact O-N 3.38Å; V525-L527 VanDerWaalsContact C-N 3.27Å; V525-L527 PolarHBondContact O-N 2.76Å; V525-C528 PolarHBondContact O-N 2.88Å; V525-E529 WeakPolarHBondContact O-CB 3.32Å; V525-E529 PolarHBondContact O-N 3.24Å; V525-L552 HydrophobicContact CG1-CD2 3.66Å
526R94.2Very high90.1Very high134 Ų13448.1 Ų48.151%0.50625%0.247SC..Hα-helixtrans-61.4-34.6175.3-73.4-172.2-63.6-88.75.6113D522 L524 E529 T530D522-R526 WeakPolarHBondContact O-CG 3.3Å; D522-R526 PolarHBondContact O-N 3.41Å; D522-R526 PolarHBondContact O-NH1 3.3Å; L524-R526 VanDerWaalsContact C-N 3.32Å; L524-R526 PolarHBondContact O-N 2.98Å; R526-E529 PolarHBondContact O-N 3.03Å; R526-T530 WeakPolarHBondContact O-CB 3.41Å; R526-T530 PolarHBondContact O-N 3.49Å; R526-T530 PolarHBondContact O-OG1 3.11Å
527L91.6Very high89Confident66 Ų6650.8 Ų50.835%0.34628%0.275SS..Hα-helixtrans-69.1-44.7177.4-16764.9000111.2P502 I504 S523 L524 V525 E529 T530 F531P502-L527 HydrophobicContact CB-CD2 3.81Å; I504-L527 HydrophobicContact CD1-CD2 4.32Å; I504-L527 HydrophobicContact CG1-CB 4.14Å; I504-L527 HydrophobicContact CG1-CD2 3.6Å; I504-L527 HydrophobicContact CG1-CG 3.58Å; S523-L527 PolarHBondContact O-N 3.06Å; S523-L527 VanDerWaalsContact O-N 3.15Å; L524-L527 HydrophobicContact CD1-CD2 4.26Å; L524-L527 WeakPolarHBondContact O-CB 3.25Å; L524-L527 PolarHBondContact O-N 2.99Å; L524-L527 VanDerWaalsContact O-N 3.11Å; V525-L527 VanDerWaalsContact C-N 3.27Å; V525-L527 PolarHBondContact O-N 2.76Å; L527-E529 VanDerWaalsContact C-N 3.33Å; L527-E529 PolarHBondContact O-N 3.49Å; L527-T530 PolarHBondContact O-N 3.47Å; L527-F531 WeakPolarHBondContact O-CB 3.41Å; L527-F531 PolarHBondContact O-N 3.24Å
528C92.7Very high88.2Confident0 Ų048.5 Ų48.50%026%0.264CS..Hα-helixtrans-61.3-41.3172.6-68.50000111.9I504 L513 L524 V525 F531 L532I504-C528 VanDerWaalsContact CD1-SG 3.55Å; L513-C528 HydrophobicContact CB-CB 4.11Å; L513-C528 HydrophobicContact CD1-CB 4.09Å; L524-C528 PolarHBondContact O-N 3.19Å; L524-C528 PolarHBondContact O-SG 3.29Å; V525-C528 PolarHBondContact O-N 2.88Å; C528-F531 WeakPolarHBondContact O-CB 3.28Å; C528-F531 PolarHBondContact O-N 3.21Å; C528-L532 WeakPolarHBondContact O-CG 3.39Å; C528-L532 PolarHBondContact O-N 2.81Å
529E94.9Very high87.9Confident9 Ų948.1 Ų48.14%0.04226%0.262CS..Hα-helixtrans-62.1-45.7176.8-167.3172.9-157.300111.6V525 R526 L527 F531 L532 I533 L552 Y554 L555V525-E529 WeakPolarHBondContact O-CB 3.32Å; V525-E529 PolarHBondContact O-N 3.24Å; R526-E529 PolarHBondContact O-N 3.03Å; L527-E529 VanDerWaalsContact C-N 3.33Å; L527-E529 PolarHBondContact O-N 3.49Å; E529-F531 VanDerWaalsContact C-N 3.34Å; E529-F531 PolarHBondContact O-N 2.76Å; E529-L532 PolarHBondContact O-N 2.89Å; E529-I533 HydrophobicContact CG-CD1 4.37Å; E529-I533 VanDerWaalsContact O-CG1 3.3Å; E529-I533 WeakPolarHBondContact O-CG1 3.36Å; E529-I533 PolarHBondContact O-N 2.81Å; E529-L552 HydrophobicContact CB-CD2 4.48Å; E529-L552 HydrophobicContact CG-CB 4.06Å; E529-L552 WeakPolarHBondContact OE1-CA 3.31Å; E529-L552 WeakPolarHBondContact OE1-CB 3.48Å; E529-Y554 VanDerWaalsContact OE1-CA 3.3Å; E529-Y554 WeakPolarHBondContact OE1-CA 3.22Å; E529-Y554 VanDerWaalsContact OE1-CB 3.31Å; E529-Y554 WeakPolarHBondContact OE1-CB 3.38Å; E529-Y554 PolarHBondContact OE1-N 3.36Å; E529-Y554 WeakPolarHBondContact OE2-CD2 3.46Å; E529-L555 HydrophobicContact CG-CB 3.83Å; E529-L555 PolarHBondContact OE1-N 3.33Å
530T90.7Very high87.7Confident71 Ų7148.4 Ų48.444%0.43626%0.264SS..Hα-helixtrans-62.4-41.8175.8-58.30000111.5R526 L527 I533 N534R526-T530 WeakPolarHBondContact O-CB 3.41Å; R526-T530 PolarHBondContact O-N 3.49Å; R526-T530 PolarHBondContact O-OG1 3.11Å; L527-T530 PolarHBondContact O-N 3.47Å; T530-I533 PolarHBondContact O-N 2.6Å; T530-N534 PolarHBondContact O-N 3.2Å; T530-N534 VanDerWaalsContact O-N 3.15Å; T530-N534 PolarHBondContact O-ND2 3.04Å; T530-N534 VanDerWaalsContact O-ND2 3.16Å
531F88.1Confident87.5Confident41 Ų4147.1 Ų47.118%0.1825%0.251CS..Hα-helixtrans-58.2-50.1174.5172.6-94.6000111.2I504 T505 R506 W509 L527 C528 E529 I533 N534 A535I504-F531 HydrophobicContact CB-CB 4.28Å; I504-F531 HydrophobicContact CB-CG 4.39Å; I504-F531 HydrophobicContact CG2-CB 3.72Å; I504-F531 HydrophobicContact CG2-CD1 3.89Å; I504-F531 HydrophobicContact CG2-CD2 4.06Å; I504-F531 HydrophobicContact CG2-CG 3.6Å; T505-F531 VanDerWaalsContact C-CZ 3.45Å; R506-F531 HydrophobicContact CB-CZ 4.14Å; R506-F531 VanDerWaalsContact N-CZ 3.28Å; W509-F531 HydrophobicContact CB-CD1 3.85Å; W509-F531 HydrophobicContact CB-CE1 3.96Å; W509-F531 AromaticContact CD1-CE1 3.76Å; W509-F531 HydrophobicContact CG-CD1 4.06Å; W509-F531 AromaticContact CG-CE1 3.87Å; W509-F531 HydrophobicContact CG-CE1 3.87Å; L527-F531 WeakPolarHBondContact O-CB 3.41Å; L527-F531 PolarHBondContact O-N 3.24Å; C528-F531 WeakPolarHBondContact O-CB 3.28Å; C528-F531 PolarHBondContact O-N 3.21Å; E529-F531 VanDerWaalsContact C-N 3.34Å; E529-F531 PolarHBondContact O-N 2.76Å; F531-I533 VanDerWaalsContact C-N 3.35Å; F531-I533 PolarHBondContact O-N 3.15Å; F531-N534 CarbonylContact O-C 3.58Å; F531-N534 PolarHBondContact O-N 3.39Å; F531-A535 HydrophobicContact CE1-CB 4.44Å; F531-A535 WeakPolarHBondContact O-CB 3.14Å; F531-A535 PolarHBondContact O-N 3.17Å
532L88.2Confident87.3Confident0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-63.4-37.6179.1-72.9172.3000113W509 C528 E529 N534 A535 K543 Y546 L552 L555W509-L532 HydrophobicContact CD2-CD2 3.86Å; W509-L532 HydrophobicContact CD2-CG 4.37Å; W509-L532 HydrophobicContact CE3-CD1 3.8Å; W509-L532 HydrophobicContact CE3-CD2 3.9Å; W509-L532 HydrophobicContact CE3-CG 4.03Å; W509-L532 HydrophobicContact CH2-CD1 4.16Å; W509-L532 HydrophobicContact CH2-CD2 3.93Å; W509-L532 HydrophobicContact CZ2-CD2 3.91Å; W509-L532 HydrophobicContact CZ3-CD1 3.57Å; W509-L532 HydrophobicContact CZ3-CD2 3.95Å; W509-L532 HydrophobicContact CZ3-CG 4.18Å; C528-L532 WeakPolarHBondContact O-CG 3.39Å; C528-L532 PolarHBondContact O-N 2.81Å; E529-L532 PolarHBondContact O-N 2.89Å; L532-N534 VanDerWaalsContact C-N 3.3Å; L532-N534 PolarHBondContact O-N 3.09Å; L532-A535 PolarHBondContact O-N 3.21Å; L532-K543 WeakPolarHBondContact O-CE 3.17Å; L532-K543 PolarHBondContact O-NZ 3.27Å; L532-Y546 HydrophobicContact CD2-CD2 4.26Å; L532-L552 HydrophobicContact CD1-CD1 4.09Å; L532-L555 HydrophobicContact CB-CD1 3.87Å; L532-L555 HydrophobicContact CB-CD2 3.96Å; L532-L555 HydrophobicContact CD1-CD2 3.7Å; L532-L555 HydrophobicContact CG-CD2 4.48Å
533I87.5Confident87.2Confident38 Ų3845.7 Ų45.720%0.19524%0.238CC..Hα-helixtrans-56.4-49174.6-74.5166.1000109.8E529 T530 F531 K543 L555 T558E529-I533 HydrophobicContact CG-CD1 4.37Å; E529-I533 VanDerWaalsContact O-CG1 3.3Å; E529-I533 WeakPolarHBondContact O-CG1 3.36Å; E529-I533 PolarHBondContact O-N 2.81Å; T530-I533 PolarHBondContact O-N 2.6Å; F531-I533 VanDerWaalsContact C-N 3.35Å; F531-I533 PolarHBondContact O-N 3.15Å; I533-K543 PolarHBondContact O-NZ 2.86Å; I533-L555 HydrophobicContact CG1-CB 4.42Å; I533-L555 HydrophobicContact CG1-CD1 3.78Å; I533-T558 HydrophobicContact CG1-CG2 4.45Å; I533-T558 HydrophobicContact CG2-CG2 3.89Å
534N81.2Confident87.2Confident95 Ų9544.1 Ų44.151%0.50823%0.226SC..Hα-helixtrans-81.7-15.5-176.2-64.6-36.2000113.9T530 F531 L532 K536T530-N534 PolarHBondContact O-N 3.2Å; T530-N534 VanDerWaalsContact O-N 3.15Å; T530-N534 PolarHBondContact O-ND2 3.04Å; T530-N534 VanDerWaalsContact O-ND2 3.16Å; F531-N534 CarbonylContact O-C 3.58Å; F531-N534 PolarHBondContact O-N 3.39Å; L532-N534 VanDerWaalsContact C-N 3.3Å; L532-N534 PolarHBondContact O-N 3.09Å; N534-K536 PolarHBondContact O-N 3.2Å
535A78.8Confident87Confident15 Ų1545.5 Ų45.512%0.12423%0.233CC..  trans-66.198-179.200000111.4F531 L532 G537 V538 K543F531-A535 HydrophobicContact CE1-CB 4.44Å; F531-A535 WeakPolarHBondContact O-CB 3.14Å; F531-A535 PolarHBondContact O-N 3.17Å; L532-A535 PolarHBondContact O-N 3.21Å; A535-G537 VanDerWaalsContact C-N 3.25Å; A535-G537 PolarHBondContact O-N 3.16Å; A535-V538 HydrophobicContact CB-CB 4.26Å; A535-V538 HydrophobicContact CB-CG2 3.8Å; A535-V538 PolarHBondContact O-N 3.02Å; A535-K543 VanDerWaalsContact O-CE 3.26Å; A535-K543 WeakPolarHBondContact O-CE 3.38Å; A535-K543 PolarHBondContact O-NZ 3.09Å
536K71.6Confident86.9Confident201 Ų20147.2 Ų47.287%0.87424%0.238SC*.THydrogen-bonded Turntrans-65.9-26.7178.1-64.5-175.8-178.3177.80113.3N534 V538N534-K536 PolarHBondContact O-N 3.2Å; K536-V538 VanDerWaalsContact C-N 3.3Å
537G71.4Confident86.8Confident57 Ų5740.8 Ų40.859%0.58821%0.214SC*.THydrogen-bonded Turntrans-79-8.417900000114.7A535A535-G537 VanDerWaalsContact C-N 3.25Å; A535-G537 PolarHBondContact O-N 3.16Å
538V77.1Confident86.7Confident30 Ų3040.4 Ų40.418%0.18221%0.212CC..SBendtrans-97.6118.9177.2-177.80000108A535 K536 R542 K543 Y546A535-V538 HydrophobicContact CB-CB 4.26Å; A535-V538 HydrophobicContact CB-CG2 3.8Å; A535-V538 PolarHBondContact O-N 3.02Å; K536-V538 VanDerWaalsContact C-N 3.3Å; V538-R542 HydrophobicContact CG1-CB 3.88Å; V538-K543 HydrophobicContact CB-CG 4.34Å; V538-K543 HydrophobicContact CG1-CG 3.78Å; V538-K543 WeakPolarHBondContact O-CE 3.32Å; V538-Y546 HydrophobicContact CG1-CD2 4.39Å; V538-Y546 HydrophobicContact CG1-CE2 3.97Å
539H84.4Confident86.6Confident58 Ų5846.4 Ų46.427%0.26924%0.239SC..  trans-63.3148.3178.9-166.2-96.8000111.4V541 R542 K543 L573 Y577H539-V541 WeakPolarHBondContact ND1-CG2 2.93Å; H539-V541 PolarHBondContact ND1-N 2.89Å; H539-V541 PolarHBondContact O-N 3Å; H539-R542 PolarHBondContact O-N 3.32Å; H539-K543 PolarHBondContact O-N 2.71Å; H539-L573 PolarHBondContact CE1-O 2.64Å; H539-Y577 HydrophobicContact CB-CD2 3.77Å; H539-Y577 HydrophobicContact CB-CE2 4.18Å; H539-Y577 VanDerWaalsContact CE1-CB 3.46Å; H539-Y577 WeakPolarHBondContact CE1-CB 3.41Å; H539-Y577 AromaticContact CE1-CG 3.98Å; H539-Y577 AromaticContact CG-CD2 3.51Å; H539-Y577 AromaticContact ND1-CD2 3.26Å; H539-Y577 VanDerWaalsContact ND1-CD2 3.26Å; H539-Y577 WeakPolarHBondContact ND1-CD2 3.36Å; H539-Y577 AromaticContact ND1-CG 3.59Å
540V89Confident86.5Confident12 Ų1248 Ų487%0.07325%0.245CC..Hα-helixtrans-59.5-32-176.764.50000112.9K543 L544 A559 Q562 I563 F596V540-K543 WeakPolarHBondContact O-CB 3.22Å; V540-K543 PolarHBondContact O-N 2.56Å; V540-L544 PolarHBondContact O-N 3.29Å; V540-A559 HydrophobicContact CG2-CB 3.96Å; V540-Q562 HydrophobicContact CG2-CB 4.26Å; V540-I563 HydrophobicContact CG1-CG1 4.37Å; V540-I563 HydrophobicContact CG2-CD1 4.02Å; V540-I563 HydrophobicContact CG2-CG1 3.85Å; V540-F596 HydrophobicContact CG1-CZ 4Å
541V88.7Confident86.5Confident0 Ų053.1 Ų53.10%026%0.262CS..Hα-helixtrans-57.5-51.7172.2173.80000111H539 K543 L544 E545 L574 Y577 V588 V592 F596H539-V541 WeakPolarHBondContact ND1-CG2 2.93Å; H539-V541 PolarHBondContact ND1-N 2.89Å; H539-V541 PolarHBondContact O-N 3Å; V541-K543 VanDerWaalsContact C-N 3.32Å; V541-K543 PolarHBondContact O-N 2.82Å; V541-L544 PolarHBondContact O-N 2.74Å; V541-L544 VanDerWaalsContact O-N 3.16Å; V541-E545 PolarHBondContact O-N 3.18Å; V541-L574 HydrophobicContact CG2-CD1 3.97Å; V541-Y577 HydrophobicContact CB-CD1 3.9Å; V541-Y577 HydrophobicContact CB-CD2 3.98Å; V541-Y577 HydrophobicContact CB-CE1 4.01Å; V541-Y577 HydrophobicContact CB-CE2 4.05Å; V541-Y577 HydrophobicContact CB-CG 3.9Å; V541-Y577 HydrophobicContact CG1-CD1 3.74Å; V541-Y577 HydrophobicContact CG1-CD2 4.47Å; V541-Y577 HydrophobicContact CG1-CE1 3.46Å; V541-Y577 VanDerWaalsContact CG1-CE1 3.46Å; V541-Y577 HydrophobicContact CG1-CE2 4.19Å; V541-Y577 HydrophobicContact CG1-CG 4.26Å; V541-Y577 HydrophobicContact CG2-CD1 3.78Å; V541-Y577 HydrophobicContact CG2-CD2 4.26Å; V541-Y577 HydrophobicContact CG2-CE1 4.36Å; V541-Y577 HydrophobicContact CG2-CG 3.75Å; V541-V588 HydrophobicContact CG1-CG1 4.47Å; V541-V592 HydrophobicContact CG1-CG1 4.11Å; V541-F596 HydrophobicContact CG2-CE2 3.65Å; V541-F596 HydrophobicContact CG2-CZ 3.51Å
542R89.3Confident86.8Confident62 Ų6251.2 Ų51.223%0.23425%0.253CS..Hα-helixtrans-63.6-37.3176.9-67.7-54.4-164.3-161.3-11.2112V538 H539 L544 E545 Y546 Y577 E583V538-R542 HydrophobicContact CG1-CB 3.88Å; H539-R542 PolarHBondContact O-N 3.32Å; R542-L544 VanDerWaalsContact C-N 3.29Å; R542-L544 PolarHBondContact O-N 2.73Å; R542-E545 WeakPolarHBondContact CD-OE2 3.21Å; R542-E545 IonicContact CZ-OE2 3.47Å; R542-E545 IonicContact NE-OE2 3.29Å; R542-E545 IonicContact NH1-OE1 3.16Å; R542-E545 IonicContact NH1-OE2 3.42Å; R542-E545 PolarHBondContact NH1-OE2 3.14Å; R542-E545 PolarHBondContact O-N 3.14Å; R542-Y546 HydrophobicContact CB-CD2 4.37Å; R542-Y546 HydrophobicContact CB-CE2 3.85Å; R542-Y546 WeakPolarHBondContact O-CB 3.34Å; R542-Y546 WeakPolarHBondContact O-CD2 3.35Å; R542-Y546 PolarHBondContact O-N 2.93Å; R542-Y577 WeakPolarHBondContact CD-OH 3.46Å; R542-Y577 HydrophobicContact CG-CE2 4.02Å; R542-Y577 PolarHBondContact NE-OH 3.47Å; R542-Y577 PolarHBondContact NH1-OH 2.93Å; R542-Y577 PolarHBondContact NH2-OH 2.82Å; R542-E583 IonicContact CZ-OE1 3.03Å; R542-E583 IonicContact CZ-OE2 2.89Å; R542-E583 IonicContact NH1-OE1 2.62Å; R542-E583 IonicContact NH2-OE1 2.82Å; R542-E583 PolarHBondContact NH2-OE1 3.19Å; R542-E583 IonicContact NH2-OE2 2.76Å
543K91.6Very high87.1Confident10 Ų1055.2 Ų55.24%0.04328%0.279CS..Hα-helixtrans-58.6-42.2174.6-66.8-172.1-176.8-174.20111.6L532 I533 A535 V538 H539 V540 V541 S547 L555 A559L532-K543 WeakPolarHBondContact O-CE 3.17Å; L532-K543 PolarHBondContact O-NZ 3.27Å; I533-K543 PolarHBondContact O-NZ 2.86Å; A535-K543 VanDerWaalsContact O-CE 3.26Å; A535-K543 WeakPolarHBondContact O-CE 3.38Å; A535-K543 PolarHBondContact O-NZ 3.09Å; V538-K543 HydrophobicContact CB-CG 4.34Å; V538-K543 HydrophobicContact CG1-CG 3.78Å; V538-K543 WeakPolarHBondContact O-CE 3.32Å; H539-K543 PolarHBondContact O-N 2.71Å; V540-K543 WeakPolarHBondContact O-CB 3.22Å; V540-K543 PolarHBondContact O-N 2.56Å; V541-K543 VanDerWaalsContact C-N 3.32Å; V541-K543 PolarHBondContact O-N 2.82Å; K543-S547 VanDerWaalsContact O-CB 3.3Å; K543-S547 WeakPolarHBondContact O-CB 3.44Å; K543-S547 PolarHBondContact O-N 2.98Å; K543-L555 HydrophobicContact CB-CD1 3.97Å; K543-L555 HydrophobicContact CB-CG 4.33Å; K543-L555 HydrophobicContact CD-CD1 4.13Å; K543-L555 HydrophobicContact CG-CD1 4.2Å; K543-L555 WeakPolarHBondContact O-CD2 3.4Å; K543-A559 HydrophobicContact CB-CB 4.07Å
544L91.5Very high87.4Confident7 Ų760.6 Ų60.64%0.03730%0.298CS..Hα-helixtrans-66.8-45175.7-73.2175.3000112.1V540 V541 R542 Y546 S547 L548 A559 I563 V592 A595 F596V540-L544 PolarHBondContact O-N 3.29Å; V541-L544 PolarHBondContact O-N 2.74Å; V541-L544 VanDerWaalsContact O-N 3.16Å; R542-L544 VanDerWaalsContact C-N 3.29Å; R542-L544 PolarHBondContact O-N 2.73Å; L544-Y546 PolarHBondContact O-N 3.18Å; L544-S547 WeakPolarHBondContact CA-OG 3.3Å; L544-S547 WeakPolarHBondContact O-CB 3.31Å; L544-S547 PolarHBondContact O-N 3.1Å; L544-S547 VanDerWaalsContact O-N 3.12Å; L544-S547 PolarHBondContact O-OG 3.09Å; L544-L548 WeakPolarHBondContact O-CG 3.15Å; L544-L548 PolarHBondContact O-N 2.81Å; L544-A559 HydrophobicContact CD2-CB 3.69Å; L544-A559 HydrophobicContact CG-CB 3.92Å; L544-I563 HydrophobicContact CD1-CD1 3.42Å; L544-I563 VanDerWaalsContact CD1-CD1 3.42Å; L544-I563 HydrophobicContact CG-CD1 4.42Å; L544-V592 HydrophobicContact CB-CG1 4.1Å; L544-V592 HydrophobicContact CB-CG2 3.89Å; L544-V592 HydrophobicContact CD1-CG1 3.98Å; L544-A595 HydrophobicContact CD1-CB 3.71Å; L544-F596 HydrophobicContact CD1-CE2 4.04Å
545E90.4Very high88.1Confident31 Ų3156.1 Ų56.115%0.14527%0.274CS..Hα-helixtrans-57.1-50.3175.8-70.2-179.9153.400111.7V541 R542 S547 L548 E549 V592V541-E545 PolarHBondContact O-N 3.18Å; R542-E545 WeakPolarHBondContact CD-OE2 3.21Å; R542-E545 IonicContact CZ-OE2 3.47Å; R542-E545 IonicContact NE-OE2 3.29Å; R542-E545 IonicContact NH1-OE1 3.16Å; R542-E545 IonicContact NH1-OE2 3.42Å; R542-E545 PolarHBondContact NH1-OE2 3.14Å; R542-E545 PolarHBondContact O-N 3.14Å; E545-S547 VanDerWaalsContact C-N 3.25Å; E545-S547 PolarHBondContact O-N 3.48Å; E545-L548 PolarHBondContact O-N 3.4Å; E545-L548 VanDerWaalsContact O-N 3.12Å; E545-E549 WeakPolarHBondContact O-CB 3.42Å; E545-E549 PolarHBondContact O-N 2.9Å; E545-V592 HydrophobicContact CG-CG2 3.86Å
546Y91.7Very high88.8Confident54 Ų5458.9 Ų58.921%0.21229%0.286CS..Hα-helixtrans-61.1-36.5176-60.3-33.6000111.9W509 L532 V538 R542 L544 L548 Y550W509-Y546 AromaticContact CH2-CD1 3.98Å; W509-Y546 HydrophobicContact CH2-CD1 3.98Å; W509-Y546 AromaticContact CH2-CD2 3.59Å; W509-Y546 HydrophobicContact CH2-CD2 3.59Å; W509-Y546 HydrophobicContact CH2-CE1 4.04Å; W509-Y546 AromaticContact CH2-CE2 3.65Å; W509-Y546 HydrophobicContact CH2-CE2 3.65Å; W509-Y546 AromaticContact CH2-CG 3.77Å; W509-Y546 HydrophobicContact CH2-CG 3.77Å; W509-Y546 AromaticContact CH2-CZ 3.89Å; W509-Y546 HydrophobicContact CZ2-CD2 4.07Å; W509-Y546 HydrophobicContact CZ2-CE1 4.45Å; W509-Y546 AromaticContact CZ2-CE2 3.69Å; W509-Y546 HydrophobicContact CZ2-CE2 3.69Å; W509-Y546 AromaticContact CZ2-CZ 3.91Å; L532-Y546 HydrophobicContact CD2-CD2 4.26Å; V538-Y546 HydrophobicContact CG1-CD2 4.39Å; V538-Y546 HydrophobicContact CG1-CE2 3.97Å; R542-Y546 HydrophobicContact CB-CD2 4.37Å; R542-Y546 HydrophobicContact CB-CE2 3.85Å; R542-Y546 WeakPolarHBondContact O-CB 3.34Å; R542-Y546 WeakPolarHBondContact O-CD2 3.35Å; R542-Y546 PolarHBondContact O-N 2.93Å; L544-Y546 PolarHBondContact O-N 3.18Å; Y546-L548 VanDerWaalsContact C-N 3.29Å; Y546-L548 PolarHBondContact O-N 3.41Å; Y546-Y550 HydrophobicContact CD1-CE2 4.24Å; Y546-Y550 WeakPolarHBondContact O-CB 3.39Å; Y546-Y550 WeakPolarHBondContact O-CD2 3.22Å; Y546-Y550 PolarHBondContact O-N 3.23Å
547S93.3Very high89.7Confident0 Ų052.5 Ų52.50%027%0.266CS..Hα-helixtrans-65.6-33.3177.380.70000113.2K543 L544 E545 K551 L552 M556K543-S547 VanDerWaalsContact O-CB 3.3Å; K543-S547 WeakPolarHBondContact O-CB 3.44Å; K543-S547 PolarHBondContact O-N 2.98Å; L544-S547 WeakPolarHBondContact CA-OG 3.3Å; L544-S547 WeakPolarHBondContact O-CB 3.31Å; L544-S547 PolarHBondContact O-N 3.1Å; L544-S547 VanDerWaalsContact O-N 3.12Å; L544-S547 PolarHBondContact O-OG 3.09Å; E545-S547 VanDerWaalsContact C-N 3.25Å; E545-S547 PolarHBondContact O-N 3.48Å; S547-K551 CarbonylContact O-C 3.55Å; S547-K551 WeakPolarHBondContact O-CA 3.46Å; S547-K551 PolarHBondContact O-N 2.9Å; S547-L552 WeakPolarHBondContact CB-O 3.38Å; S547-L552 PolarHBondContact O-N 2.67Å; S547-M556 WeakPolarHBondContact OG-CB 3.31Å
548L89.8Confident90.7Very high58 Ų5850.9 Ų50.930%0.30425%0.245SC..Hα-helixtrans-77.3-49.6176.6-71.8162.5000111L544 E545 Y546 Y550 K551 M556 A591 V592L544-L548 WeakPolarHBondContact O-CG 3.15Å; L544-L548 PolarHBondContact O-N 2.81Å; E545-L548 PolarHBondContact O-N 3.4Å; E545-L548 VanDerWaalsContact O-N 3.12Å; Y546-L548 VanDerWaalsContact C-N 3.29Å; Y546-L548 PolarHBondContact O-N 3.41Å; L548-Y550 PolarHBondContact O-N 3.42Å; L548-K551 PolarHBondContact O-N 2.83Å; L548-M556 HydrophobicContact CD2-CE 3.37Å; L548-M556 HydrophobicContact CG-CE 3.8Å; L548-A591 HydrophobicContact CD1-CB 3.82Å; L548-A591 HydrophobicContact CD2-CB 4.16Å; L548-V592 HydrophobicContact CD1-CG2 3.57Å
549E90.3Very high91.3Very high125 Ų12549.5 Ų49.558%0.58424%0.236SC*.Hα-helixtrans-59.1-46.7-178.2-176.7173.7-173.100111.5E545E545-E549 WeakPolarHBondContact O-CB 3.42Å; E545-E549 PolarHBondContact O-N 2.9Å
550Y91Very high91.4Very high42 Ų4247.9 Ų47.917%0.16523%0.233CC..THydrogen-bonded Turntrans-101.65.9-176.1-58.7-68.8000114L510 L513 L517 Y546 L548L510-Y550 HydrophobicContact CD1-CE2 3.87Å; L510-Y550 VanDerWaalsContact CD1-OH 3.25Å; L510-Y550 WeakPolarHBondContact CD1-OH 3.41Å; L513-Y550 HydrophobicContact CD2-CD1 4.07Å; L513-Y550 HydrophobicContact CD2-CD2 3.68Å; L513-Y550 HydrophobicContact CD2-CE2 4.29Å; L513-Y550 HydrophobicContact CD2-CG 3.56Å; L513-Y550 HydrophobicContact CG-CD1 4.33Å; L513-Y550 HydrophobicContact CG-CG 4.26Å; L517-Y550 HydrophobicContact CD1-CD1 3.77Å; L517-Y550 HydrophobicContact CD1-CG 4.43Å; Y546-Y550 HydrophobicContact CD1-CE2 4.24Å; Y546-Y550 WeakPolarHBondContact O-CB 3.39Å; Y546-Y550 WeakPolarHBondContact O-CD2 3.22Å; Y546-Y550 PolarHBondContact O-N 3.23Å; L548-Y550 PolarHBondContact O-N 3.42Å
551K91.9Very high91.3Very high179 Ų17955.1 Ų55.178%0.77826%0.259SS*.THydrogen-bonded Turntrans53.955.7178.2-57.7177.3-179.1175.60113S547 L548 P553S547-K551 CarbonylContact O-C 3.55Å; S547-K551 WeakPolarHBondContact O-CA 3.46Å; S547-K551 PolarHBondContact O-N 2.9Å; L548-K551 PolarHBondContact O-N 2.83Å; K551-P553 VanDerWaalsContact O-CD 3.25Å; K551-P553 WeakPolarHBondContact O-CD 3.47Å
552L95.2Very high91Very high2 Ų259 Ų591%0.0128%0.278CS..  trans-102.993.6-177-55.9177000111.2L513 V525 E529 L532 S547 Y554 L555 M556L513-L552 HydrophobicContact CD1-CD2 4.24Å; L513-L552 HydrophobicContact CD2-CD1 4.05Å; V525-L552 HydrophobicContact CG1-CD2 3.66Å; E529-L552 HydrophobicContact CB-CD2 4.48Å; E529-L552 HydrophobicContact CG-CB 4.06Å; E529-L552 WeakPolarHBondContact OE1-CA 3.31Å; E529-L552 WeakPolarHBondContact OE1-CB 3.48Å; L532-L552 HydrophobicContact CD1-CD1 4.09Å; S547-L552 WeakPolarHBondContact CB-O 3.38Å; S547-L552 PolarHBondContact O-N 2.67Å; L552-Y554 PolarHBondContact O-N 2.86Å; L552-L555 HydrophobicContact CB-CB 3.93Å; L552-L555 HydrophobicContact CB-CD2 4.45Å; L552-L555 HydrophobicContact CD1-CD2 3.91Å; L552-L555 PolarHBondContact O-N 2.82Å; L552-M556 WeakPolarHBondContact O-CB 3.29Å; L552-M556 PolarHBondContact O-N 2.76Å
553P93.7Very high90.7Very high83 Ų8356.2 Ų56.254%0.53927%0.267SS..Hα-helixtrans-71.6-30.7-169.128.8-35.9000114.5K551 S557K551-P553 VanDerWaalsContact O-CD 3.25Å; K551-P553 WeakPolarHBondContact O-CD 3.47Å; P553-S557 WeakPolarHBondContact O-CB 3.36Å; P553-S557 PolarHBondContact O-N 3.42Å; P553-S557 PolarHBondContact O-OG 2.97Å
554Y94.2Very high89.7Confident152 Ų15263.3 Ų63.360%0.59630%0.3SS*.Hα-helixtrans-75.8-36.5177.4-62.5-80.3000111.1E529 L552 S557 T558E529-Y554 VanDerWaalsContact OE1-CA 3.3Å; E529-Y554 WeakPolarHBondContact OE1-CA 3.22Å; E529-Y554 VanDerWaalsContact OE1-CB 3.31Å; E529-Y554 WeakPolarHBondContact OE1-CB 3.38Å; E529-Y554 PolarHBondContact OE1-N 3.36Å; E529-Y554 WeakPolarHBondContact OE2-CD2 3.46Å; L552-Y554 PolarHBondContact O-N 2.86Å; Y554-S557 WeakPolarHBondContact CA-OG 3.5Å; Y554-S557 PolarHBondContact O-OG 2.75Å; Y554-T558 VanDerWaalsContact O-CB 3.24Å; Y554-T558 WeakPolarHBondContact O-CB 3.24Å; Y554-T558 PolarHBondContact O-N 3.11Å; Y554-T558 PolarHBondContact O-OG1 3.34Å
555L94.6Very high88.6Confident1 Ų170.9 Ų70.91%0.00534%0.336CS..Hα-helixtrans-63.5-46.3170.8-178.263.7000110.5E529 L532 I533 K543 L552 T558 A559E529-L555 HydrophobicContact CG-CB 3.83Å; E529-L555 PolarHBondContact OE1-N 3.33Å; L532-L555 HydrophobicContact CB-CD1 3.87Å; L532-L555 HydrophobicContact CB-CD2 3.96Å; L532-L555 HydrophobicContact CD1-CD2 3.7Å; L532-L555 HydrophobicContact CG-CD2 4.48Å; I533-L555 HydrophobicContact CG1-CB 4.42Å; I533-L555 HydrophobicContact CG1-CD1 3.78Å; K543-L555 HydrophobicContact CB-CD1 3.97Å; K543-L555 HydrophobicContact CB-CG 4.33Å; K543-L555 HydrophobicContact CD-CD1 4.13Å; K543-L555 HydrophobicContact CG-CD1 4.2Å; K543-L555 WeakPolarHBondContact O-CD2 3.4Å; L552-L555 HydrophobicContact CB-CB 3.93Å; L552-L555 HydrophobicContact CB-CD2 4.45Å; L552-L555 HydrophobicContact CD1-CD2 3.91Å; L552-L555 PolarHBondContact O-N 2.82Å; L555-T558 PolarHBondContact O-N 2.9Å; L555-A559 WeakPolarHBondContact O-CB 3.48Å; L555-A559 PolarHBondContact O-N 2.89Å
556M93.2Very high87.4Confident73 Ų7373.6 Ų73.636%0.3635%0.351SS..Hα-helixtrans-57.3-53.5178.3-177.2176.7-77.500111.7S547 L548 L552 T558 A559 A560S547-M556 WeakPolarHBondContact OG-CB 3.31Å; L548-M556 HydrophobicContact CD2-CE 3.37Å; L548-M556 HydrophobicContact CG-CE 3.8Å; L552-M556 WeakPolarHBondContact O-CB 3.29Å; L552-M556 PolarHBondContact O-N 2.76Å; M556-T558 VanDerWaalsContact C-N 3.34Å; M556-T558 PolarHBondContact O-N 2.87Å; M556-A559 PolarHBondContact O-N 2.77Å; M556-A560 VanDerWaalsContact O-CB 3.3Å; M556-A560 WeakPolarHBondContact O-CB 3.44Å; M556-A560 PolarHBondContact O-N 2.83Å
557S92.3Very high86.3Confident66 Ų6679.1 Ų79.146%0.46238%0.379SS..Hα-helixtrans-64.2-37.5-179.150.10000112.6P553 Y554 R561P553-S557 WeakPolarHBondContact O-CB 3.36Å; P553-S557 PolarHBondContact O-N 3.42Å; P553-S557 PolarHBondContact O-OG 2.97Å; Y554-S557 WeakPolarHBondContact CA-OG 3.5Å; Y554-S557 PolarHBondContact O-OG 2.75Å; S557-R561 WeakPolarHBondContact O-CB 3.46Å; S557-R561 PolarHBondContact O-N 3.2Å; S557-R561 VanDerWaalsContact O-N 3.1Å
558T90.8Very high85.3Confident23 Ų2384.6 Ų84.614%0.14141%0.408CS..Hα-helixtrans-69.3-43.3177-57.50000112.1I533 Y554 L555 M556 R561 Q562I533-T558 HydrophobicContact CG1-CG2 4.45Å; I533-T558 HydrophobicContact CG2-CG2 3.89Å; Y554-T558 VanDerWaalsContact O-CB 3.24Å; Y554-T558 WeakPolarHBondContact O-CB 3.24Å; Y554-T558 PolarHBondContact O-N 3.11Å; Y554-T558 PolarHBondContact O-OG1 3.34Å; L555-T558 PolarHBondContact O-N 2.9Å; M556-T558 VanDerWaalsContact C-N 3.34Å; M556-T558 PolarHBondContact O-N 2.87Å; T558-R561 PolarHBondContact O-N 3.37Å; T558-Q562 WeakPolarHBondContact O-CG 3.46Å; T558-Q562 PolarHBondContact O-N 3.43Å
559A89.7Confident84.7Confident1 Ų183.4 Ų83.41%0.00840%0.404CS..Hα-helixtrans-66.1-43.3177.700000111.3V540 K543 L544 L555 M556 R561 Q562 I563V540-A559 HydrophobicContact CG2-CB 3.96Å; K543-A559 HydrophobicContact CB-CB 4.07Å; L544-A559 HydrophobicContact CD2-CB 3.69Å; L544-A559 HydrophobicContact CG-CB 3.92Å; L555-A559 WeakPolarHBondContact O-CB 3.48Å; L555-A559 PolarHBondContact O-N 2.89Å; M556-A559 PolarHBondContact O-N 2.77Å; A559-R561 VanDerWaalsContact C-N 3.32Å; A559-R561 PolarHBondContact O-N 3.01Å; A559-Q562 WeakPolarHBondContact O-CB 3.32Å; A559-Q562 PolarHBondContact O-N 3.48Å; A559-Q562 VanDerWaalsContact O-N 3.09Å; A559-I563 PolarHBondContact O-N 3.01Å
560A87.8Confident84.4Confident25 Ų2577.7 Ų77.721%0.20738%0.378CS..Hα-helixtrans-59.4-42.2175.100000112.1M556 Q562 I563 Q564M556-A560 VanDerWaalsContact O-CB 3.3Å; M556-A560 WeakPolarHBondContact O-CB 3.44Å; M556-A560 PolarHBondContact O-N 2.83Å; A560-Q562 VanDerWaalsContact C-N 3.27Å; A560-Q562 PolarHBondContact O-N 2.99Å; A560-I563 PolarHBondContact O-N 2.84Å; A560-I563 VanDerWaalsContact O-N 3.1Å; A560-Q564 WeakPolarHBondContact O-CG 3.44Å; A560-Q564 PolarHBondContact O-N 3.24Å
561R86.4Confident84.1Confident163 Ų16379.7 Ų79.762%0.61539%0.391SS*.Hα-helixtrans-64.7-28.6176.2-174.5178.861.1-174.7-4.7113.2S557 T558 A559 I563S557-R561 WeakPolarHBondContact O-CB 3.46Å; S557-R561 PolarHBondContact O-N 3.2Å; S557-R561 VanDerWaalsContact O-N 3.1Å; T558-R561 PolarHBondContact O-N 3.37Å; A559-R561 VanDerWaalsContact C-N 3.32Å; A559-R561 PolarHBondContact O-N 3.01Å; R561-I563 VanDerWaalsContact C-N 3.27Å
562Q82.5Confident83.8Confident82 Ų8276.2 Ų76.238%0.38338%0.378SS..Hα-helixtrans-69.8-27.3174.7-72.3173-0.500112.1V540 T558 A559 A560V540-Q562 HydrophobicContact CG2-CB 4.26Å; T558-Q562 WeakPolarHBondContact O-CG 3.46Å; T558-Q562 PolarHBondContact O-N 3.43Å; A559-Q562 WeakPolarHBondContact O-CB 3.32Å; A559-Q562 PolarHBondContact O-N 3.48Å; A559-Q562 VanDerWaalsContact O-N 3.09Å; A560-Q562 VanDerWaalsContact C-N 3.27Å; A560-Q562 PolarHBondContact O-N 2.99Å
563I82.6Confident83.3Confident4 Ų478.7 Ų78.72%0.02139%0.391CS..Hα-helixtrans-84.5-42.1179.1-59.7166.6000111.1V540 L544 A559 A560 R561 Q565 A570 A595 F596V540-I563 HydrophobicContact CG1-CG1 4.37Å; V540-I563 HydrophobicContact CG2-CD1 4.02Å; V540-I563 HydrophobicContact CG2-CG1 3.85Å; L544-I563 HydrophobicContact CD1-CD1 3.42Å; L544-I563 VanDerWaalsContact CD1-CD1 3.42Å; L544-I563 HydrophobicContact CG-CD1 4.42Å; A559-I563 PolarHBondContact O-N 3.01Å; A560-I563 PolarHBondContact O-N 2.84Å; A560-I563 VanDerWaalsContact O-N 3.1Å; R561-I563 VanDerWaalsContact C-N 3.27Å; I563-Q565 PolarHBondContact O-N 2.93Å; I563-A570 HydrophobicContact CG2-CB 3.37Å; I563-A595 HydrophobicContact CD1-CB 4.32Å; I563-A595 WeakPolarHBondContact CG2-O 3.27Å; I563-F596 HydrophobicContact CD1-CD1 4.34Å; I563-F596 HydrophobicContact CD1-CD2 4.24Å; I563-F596 HydrophobicContact CD1-CE1 3.87Å; I563-F596 HydrophobicContact CD1-CE2 3.7Å; I563-F596 HydrophobicContact CD1-CZ 3.51Å; I563-F596 HydrophobicContact CG1-CE1 3.93Å; I563-F596 HydrophobicContact CG1-CZ 3.98Å; I563-F596 HydrophobicContact CG2-CD1 3.85Å; I563-F596 HydrophobicContact CG2-CE1 4.03Å; I563-F596 HydrophobicContact CG2-CG 4.44Å
564Q70.8Confident83Confident158 Ų15875 Ų7574%0.73837%0.366SS*.THydrogen-bonded Turntrans-676.8-172.4-75.2179.8-6.400116A560A560-Q564 WeakPolarHBondContact O-CG 3.44Å; A560-Q564 PolarHBondContact O-N 3.24Å
565Q68.1Low82.6Confident167 Ų16773.8 Ų73.878%0.7837%0.366SS*.THydrogen-bonded Turntrans-74.6-29.1179.6-65.7-170.6-7.300112.8I563I563-Q565 PolarHBondContact O-N 2.93Å
566D66.7Low82Confident87 Ų8778.9 Ų78.947%0.46539%0.39SS..  trans-165.4130.6173.1168.642.4000110.6L568 S569 A570D566-L568 VanDerWaalsContact C-N 3.33Å; D566-L568 PolarHBondContact O-N 2.84Å; D566-L568 PolarHBondContact OD1-N 3.23Å; D566-S569 WeakPolarHBondContact CB-OG 3.29Å; D566-S569 PolarHBondContact O-N 2.92Å; D566-S569 PolarHBondContact O-OG 3.49Å; D566-S569 PolarHBondContact OD2-N 3.18Å; D566-S569 VanDerWaalsContact OD2-N 3.08Å; D566-A570 PolarHBondContact O-N 2.79Å
567E67.5Low81.6Confident170 Ų17075.5 Ų75.579%0.79437%0.373SS*.Hα-helixtrans-63.3-35.6-177-72.8-176.9173.800112.8A570 L571E567-A570 WeakPolarHBondContact O-CB 3.44Å; E567-A570 PolarHBondContact O-N 2.86Å; E567-L571 PolarHBondContact O-N 2.86Å
568L71.8Confident81.1Confident115 Ų11573.4 Ų73.460%0.60236%0.356SS*.Hα-helixtrans-68.3-46178.5-142.7105.2000110.1D566 A570 L571 E572D566-L568 VanDerWaalsContact C-N 3.33Å; D566-L568 PolarHBondContact O-N 2.84Å; D566-L568 PolarHBondContact OD1-N 3.23Å; L568-A570 PolarHBondContact O-N 2.88Å; L568-L571 PolarHBondContact O-N 2.85Å; L568-E572 WeakPolarHBondContact O-CG 3.16Å; L568-E572 PolarHBondContact O-N 2.65Å
569S78.9Confident80.5Confident34 Ų3479 Ų7924%0.23838%0.381CS..Hα-helixtrans-59-33.9174.781.40000113.1D566 E572 L573D566-S569 WeakPolarHBondContact CB-OG 3.29Å; D566-S569 PolarHBondContact O-N 2.92Å; D566-S569 PolarHBondContact O-OG 3.49Å; D566-S569 PolarHBondContact OD2-N 3.18Å; D566-S569 VanDerWaalsContact OD2-N 3.08Å; S569-E572 PolarHBondContact O-N 3.37Å; S569-L573 WeakPolarHBondContact O-CB 3.41Å; S569-L573 VanDerWaalsContact O-CG 3.29Å; S569-L573 WeakPolarHBondContact O-CG 3.19Å; S569-L573 PolarHBondContact O-N 3.29Å
570A83.4Confident79.7Confident4 Ų483.1 Ų83.13%0.03341%0.41CS..Hα-helixtrans-63.2-49.8176.800000111.3I563 D566 E567 L568 E572 L573 L574 F596I563-A570 HydrophobicContact CG2-CB 3.37Å; D566-A570 PolarHBondContact O-N 2.79Å; E567-A570 WeakPolarHBondContact O-CB 3.44Å; E567-A570 PolarHBondContact O-N 2.86Å; L568-A570 PolarHBondContact O-N 2.88Å; A570-E572 VanDerWaalsContact C-N 3.32Å; A570-E572 PolarHBondContact O-N 3.16Å; A570-L573 WeakPolarHBondContact O-CB 3.38Å; A570-L573 PolarHBondContact O-N 3.45Å; A570-L574 PolarHBondContact O-N 2.55Å; A570-F596 HydrophobicContact CB-CD1 3.99Å; A570-F596 WeakPolarHBondContact O-CD1 3.46Å; A570-F596 WeakPolarHBondContact O-CE1 3.31Å
571L85.1Confident78.9Confident84 Ų8485.1 Ų85.144%0.4442%0.417SS..Hα-helixtrans-64.9-37.3178.8-70.7174.3000111.9E567 L568 L574 H575 V598E567-L571 PolarHBondContact O-N 2.86Å; L568-L571 PolarHBondContact O-N 2.85Å; L571-L574 PolarHBondContact O-N 3.1Å; L571-H575 WeakPolarHBondContact O-CB 3.42Å; L571-H575 PolarHBondContact O-N 3.24Å; L571-V598 HydrophobicContact CD2-CG2 3.62Å
572E84.6Confident78.4Confident107 Ų10779.2 Ų79.250%0.540%0.401SS..Hα-helixtrans-62.3-44.6173.8-72.2178.8172.700111.9L568 S569 A570 L574 H575 Q576L568-E572 WeakPolarHBondContact O-CG 3.16Å; L568-E572 PolarHBondContact O-N 2.65Å; S569-E572 PolarHBondContact O-N 3.37Å; A570-E572 VanDerWaalsContact C-N 3.32Å; A570-E572 PolarHBondContact O-N 3.16Å; E572-L574 VanDerWaalsContact C-N 3.32Å; E572-L574 PolarHBondContact O-N 3.17Å; E572-H575 PolarHBondContact O-N 2.91Å; E572-Q576 WeakPolarHBondContact O-CB 3.24Å; E572-Q576 VanDerWaalsContact O-CG 3.27Å; E572-Q576 WeakPolarHBondContact O-CG 3.39Å; E572-Q576 PolarHBondContact O-N 3.31Å
573L85.2Confident78.2Confident53 Ų5377.1 Ų77.128%0.27739%0.391SS..Hα-helixtrans-60.4-41.2174.7-76.8169.1000112H539 S569 A570 Y577 F596H539-L573 PolarHBondContact CE1-O 2.64Å; S569-L573 WeakPolarHBondContact O-CB 3.41Å; S569-L573 VanDerWaalsContact O-CG 3.29Å; S569-L573 WeakPolarHBondContact O-CG 3.19Å; S569-L573 PolarHBondContact O-N 3.29Å; A570-L573 WeakPolarHBondContact O-CB 3.38Å; A570-L573 PolarHBondContact O-N 3.45Å; L573-Y577 VanDerWaalsContact O-CB 3.29Å; L573-Y577 WeakPolarHBondContact O-CB 3.42Å; L573-Y577 PolarHBondContact O-N 3.44Å; L573-F596 HydrophobicContact CB-CE1 4.33Å
574L88Confident78Confident5 Ų581.5 Ų81.53%0.02641%0.411CS..Hα-helixtrans-64.9-44.5175.6-178.860.1000111.1V541 A570 L571 E572 Y577 L578 L585 L593 F596 V598V541-L574 HydrophobicContact CG2-CD1 3.97Å; A570-L574 PolarHBondContact O-N 2.55Å; L571-L574 PolarHBondContact O-N 3.1Å; E572-L574 VanDerWaalsContact C-N 3.32Å; E572-L574 PolarHBondContact O-N 3.17Å; L574-Y577 WeakPolarHBondContact O-CB 3.44Å; L574-Y577 PolarHBondContact O-N 3.01Å; L574-L578 HydrophobicContact CD1-CD1 4.25Å; L574-L578 HydrophobicContact CD1-CG 4.21Å; L574-L578 HydrophobicContact CG-CD1 4.04Å; L574-L578 HydrophobicContact CG-CG 4.43Å; L574-L578 VanDerWaalsContact O-CG 3.27Å; L574-L578 WeakPolarHBondContact O-CG 3.44Å; L574-L578 PolarHBondContact O-N 2.89Å; L574-L585 HydrophobicContact CD2-CD2 3.84Å; L574-L585 HydrophobicContact CG-CD2 4.49Å; L574-L593 HydrophobicContact CD2-CD2 3.97Å; L574-F596 HydrophobicContact CB-CD1 3.88Å; L574-F596 HydrophobicContact CB-CE1 4.13Å; L574-F596 HydrophobicContact CB-CG 4.16Å; L574-F596 HydrophobicContact CD1-CD2 4.39Å; L574-F596 HydrophobicContact CD2-CB 3.98Å; L574-F596 HydrophobicContact CD2-CD2 4.48Å; L574-F596 HydrophobicContact CD2-CG 4.15Å; L574-V598 HydrophobicContact CD2-CG2 4Å
575H84.8Confident78.5Confident127 Ų12776 Ų7659%0.58839%0.387SS*.Hα-helixtrans-61-50.4178.3-165.3129.4000111.3L571 E572 Y577 L578 E579L571-H575 WeakPolarHBondContact O-CB 3.42Å; L571-H575 PolarHBondContact O-N 3.24Å; E572-H575 PolarHBondContact O-N 2.91Å; H575-Y577 PolarHBondContact O-N 2.88Å; H575-L578 PolarHBondContact O-N 2.92Å; H575-L578 VanDerWaalsContact O-N 3.16Å; H575-E579 WeakPolarHBondContact O-CB 3.3Å; H575-E579 PolarHBondContact O-N 3.35Å
576Q82.5Confident79Confident109 Ų10973.1 Ų73.151%0.50939%0.385SS..Hα-helixtrans-57.4-39.9178-72.7172.910.100111.4E572 S580E572-Q576 WeakPolarHBondContact O-CB 3.24Å; E572-Q576 VanDerWaalsContact O-CG 3.27Å; E572-Q576 WeakPolarHBondContact O-CG 3.39Å; E572-Q576 PolarHBondContact O-N 3.31Å; Q576-S580 WeakPolarHBondContact O-CB 3.31Å; Q576-S580 PolarHBondContact O-N 2.77Å; Q576-S580 PolarHBondContact O-OG 2.84Å
577Y83.7Confident79.4Confident2 Ų272.8 Ų72.81%0.00838%0.381CS..Hα-helixtrans-63.9-49.8175.5171.6-92.6000112.5H539 V541 R542 L573 L574 H575 E579 S580 N581 E583H539-Y577 HydrophobicContact CB-CD2 3.77Å; H539-Y577 HydrophobicContact CB-CE2 4.18Å; H539-Y577 VanDerWaalsContact CE1-CB 3.46Å; H539-Y577 WeakPolarHBondContact CE1-CB 3.41Å; H539-Y577 AromaticContact CE1-CG 3.98Å; H539-Y577 AromaticContact CG-CD2 3.51Å; H539-Y577 AromaticContact ND1-CD2 3.26Å; H539-Y577 VanDerWaalsContact ND1-CD2 3.26Å; H539-Y577 WeakPolarHBondContact ND1-CD2 3.36Å; H539-Y577 AromaticContact ND1-CG 3.59Å; V541-Y577 HydrophobicContact CB-CD1 3.9Å; V541-Y577 HydrophobicContact CB-CD2 3.98Å; V541-Y577 HydrophobicContact CB-CE1 4.01Å; V541-Y577 HydrophobicContact CB-CE2 4.05Å; V541-Y577 HydrophobicContact CB-CG 3.9Å; V541-Y577 HydrophobicContact CG1-CD1 3.74Å; V541-Y577 HydrophobicContact CG1-CD2 4.47Å; V541-Y577 HydrophobicContact CG1-CE1 3.46Å; V541-Y577 VanDerWaalsContact CG1-CE1 3.46Å; V541-Y577 HydrophobicContact CG1-CE2 4.19Å; V541-Y577 HydrophobicContact CG1-CG 4.26Å; V541-Y577 HydrophobicContact CG2-CD1 3.78Å; V541-Y577 HydrophobicContact CG2-CD2 4.26Å; V541-Y577 HydrophobicContact CG2-CE1 4.36Å; V541-Y577 HydrophobicContact CG2-CG 3.75Å; R542-Y577 WeakPolarHBondContact CD-OH 3.46Å; R542-Y577 HydrophobicContact CG-CE2 4.02Å; R542-Y577 PolarHBondContact NE-OH 3.47Å; R542-Y577 PolarHBondContact NH1-OH 2.93Å; R542-Y577 PolarHBondContact NH2-OH 2.82Å; L573-Y577 VanDerWaalsContact O-CB 3.29Å; L573-Y577 WeakPolarHBondContact O-CB 3.42Å; L573-Y577 PolarHBondContact O-N 3.44Å; L574-Y577 WeakPolarHBondContact O-CB 3.44Å; L574-Y577 PolarHBondContact O-N 3.01Å; H575-Y577 PolarHBondContact O-N 2.88Å; Y577-E579 PolarHBondContact O-N 3.35Å; Y577-S580 WeakPolarHBondContact CA-OG 3.36Å; Y577-S580 PolarHBondContact O-N 3.05Å; Y577-S580 PolarHBondContact O-OG 3.09Å; Y577-N581 VanDerWaalsContact CD2-ND2 3.34Å; Y577-N581 WeakPolarHBondContact CD2-ND2 3.3Å; Y577-N581 VanDerWaalsContact CE2-ND2 3.29Å; Y577-N581 WeakPolarHBondContact CE2-ND2 3.35Å; Y577-N581 WeakPolarHBondContact O-CB 3.49Å; Y577-N581 PolarHBondContact O-N 2.98Å; Y577-N581 PolarHBondContact O-ND2 3.36Å; Y577-E583 VanDerWaalsContact CE1-OE2 3.25Å; Y577-E583 WeakPolarHBondContact CE1-OE2 3.38Å; Y577-E583 PolarHBondContact OH-OE2 2.63Å
578L81.9Confident80Confident21 Ų2165 Ų6511%0.1135%0.345CS..Hα-helixtrans-61.6-44.2179.4-70.3174000111.4L574 H575 N581 S582 E583 L585 V588L574-L578 HydrophobicContact CD1-CD1 4.25Å; L574-L578 HydrophobicContact CD1-CG 4.21Å; L574-L578 HydrophobicContact CG-CD1 4.04Å; L574-L578 HydrophobicContact CG-CG 4.43Å; L574-L578 VanDerWaalsContact O-CG 3.27Å; L574-L578 WeakPolarHBondContact O-CG 3.44Å; L574-L578 PolarHBondContact O-N 2.89Å; H575-L578 PolarHBondContact O-N 2.92Å; H575-L578 VanDerWaalsContact O-N 3.16Å; L578-N581 PolarHBondContact O-N 3.35Å; L578-S582 CarbonylContact O-C 3.57Å; L578-S582 VanDerWaalsContact O-CA 3.29Å; L578-S582 WeakPolarHBondContact O-CA 3.39Å; L578-S582 PolarHBondContact O-N 2.89Å; L578-E583 WeakPolarHBondContact CB-O 3.39Å; L578-E583 HydrophobicContact CD2-CB 3.87Å; L578-E583 WeakPolarHBondContact CD2-O 3.44Å; L578-E583 PolarHBondContact O-N 2.91Å; L578-L585 HydrophobicContact CD1-CD2 3.8Å; L578-L585 HydrophobicContact CD1-CG 3.76Å; L578-V588 HydrophobicContact CD2-CG2 3.68Å
579E78.2Confident80.4Confident140 Ų14063.1 Ų63.165%0.65434%0.335SS*.Hα-helixtrans-62.1-50.9177.1-174.4179.5-163.500111.3H575 Y577 N581 S582H575-E579 WeakPolarHBondContact O-CB 3.3Å; H575-E579 PolarHBondContact O-N 3.35Å; Y577-E579 PolarHBondContact O-N 3.35Å; E579-N581 VanDerWaalsContact C-N 3.29Å; E579-N581 PolarHBondContact O-N 3.03Å; E579-S582 PolarHBondContact O-N 3.18Å
580S72.8Confident80.6Confident88 Ų8864.9 Ų64.962%0.61535%0.346SS*.Hα-helixtrans-65.4-29.7-178.258.50000113.5Q576 Y577Q576-S580 WeakPolarHBondContact O-CB 3.31Å; Q576-S580 PolarHBondContact O-N 2.77Å; Q576-S580 PolarHBondContact O-OG 2.84Å; Y577-S580 WeakPolarHBondContact CA-OG 3.36Å; Y577-S580 PolarHBondContact O-N 3.05Å; Y577-S580 PolarHBondContact O-OG 3.09Å
581N72.2Confident80.7Confident67 Ų6766.9 Ų66.936%0.35836%0.362SS..Hα-helixtrans-97-3.2178.2-67.4-90.6000113.1Y577 L578 E579 E583Y577-N581 VanDerWaalsContact CD2-ND2 3.34Å; Y577-N581 WeakPolarHBondContact CD2-ND2 3.3Å; Y577-N581 VanDerWaalsContact CE2-ND2 3.29Å; Y577-N581 WeakPolarHBondContact CE2-ND2 3.35Å; Y577-N581 WeakPolarHBondContact O-CB 3.49Å; Y577-N581 PolarHBondContact O-N 2.98Å; Y577-N581 PolarHBondContact O-ND2 3.36Å; L578-N581 PolarHBondContact O-N 3.35Å; E579-N581 VanDerWaalsContact C-N 3.29Å; E579-N581 PolarHBondContact O-N 3.03Å; N581-E583 HydrophobicContact CB-CB 4.49Å; N581-E583 HydrophobicContact CB-CG 3.92Å; N581-E583 PolarHBondContact O-N 2.94Å
582S75.1Confident80.8Confident39 Ų3962.9 Ų62.927%0.27334%0.341SS..THydrogen-bonded Turntrans50.443.3-172-59.90000112.3R141 L578 E579R141-S582 PolarHBondContact NH1-O 2.6Å; L578-S582 CarbonylContact O-C 3.57Å; L578-S582 VanDerWaalsContact O-CA 3.29Å; L578-S582 WeakPolarHBondContact O-CA 3.39Å; L578-S582 PolarHBondContact O-N 2.89Å; E579-S582 PolarHBondContact O-N 3.18Å
583E78.5Confident81Confident39 Ų3958.9 Ų58.918%0.18232%0.323CS..  trans-104.3148.7177.8-69.6-176.1165.600110R542 Y577 L578 N581R542-E583 IonicContact CZ-OE1 3.03Å; R542-E583 IonicContact CZ-OE2 2.89Å; R542-E583 IonicContact NH1-OE1 2.62Å; R542-E583 IonicContact NH2-OE1 2.82Å; R542-E583 PolarHBondContact NH2-OE1 3.19Å; R542-E583 IonicContact NH2-OE2 2.76Å; Y577-E583 VanDerWaalsContact CE1-OE2 3.25Å; Y577-E583 WeakPolarHBondContact CE1-OE2 3.38Å; Y577-E583 PolarHBondContact OH-OE2 2.63Å; L578-E583 WeakPolarHBondContact CB-O 3.39Å; L578-E583 HydrophobicContact CD2-CB 3.87Å; L578-E583 WeakPolarHBondContact CD2-O 3.44Å; L578-E583 PolarHBondContact O-N 2.91Å; N581-E583 HydrophobicContact CB-CB 4.49Å; N581-E583 HydrophobicContact CB-CG 3.92Å; N581-E583 PolarHBondContact O-N 2.94Å
584E78.5Confident81Confident95 Ų9561 Ų6144%0.44433%0.33SS..  trans-100.2155.7173.4-67.4170.6-158.900110.2R175 S586 Q587R175-E584 IonicContact CZ-OE1 3.8Å; R175-E584 IonicContact NH1-OE1 3.99Å; R175-E584 PolarHBondContact NH1-OE1 2.92Å; R175-E584 IonicContact NH2-OE1 3.04Å; R175-E584 PolarHBondContact NH2-OE1 2.96Å; E584-S586 PolarHBondContact O-N 2.94Å; E584-S586 VanDerWaalsContact O-N 3.14Å; E584-Q587 HydrophobicContact CB-CG 4.36Å; E584-Q587 VanDerWaalsContact O-CB 3.3Å; E584-Q587 WeakPolarHBondContact O-CB 3.42Å; E584-Q587 PolarHBondContact O-N 3.4Å
585L80.1Confident80.9Confident44 Ų4462.5 Ų62.523%0.2334%0.344CS..G310 helixtrans-52.9-36.9178.4-80.1161.4000112.8L574 L578 Q587 V588 L593 L604L574-L585 HydrophobicContact CD2-CD2 3.84Å; L574-L585 HydrophobicContact CG-CD2 4.49Å; L578-L585 HydrophobicContact CD1-CD2 3.8Å; L578-L585 HydrophobicContact CD1-CG 3.76Å; L585-Q587 PolarHBondContact O-N 3.23Å; L585-Q587 VanDerWaalsContact O-N 3.09Å; L585-V588 PolarHBondContact O-N 2.93Å; L585-V588 VanDerWaalsContact O-N 3.1Å; L585-L593 HydrophobicContact CD2-CD2 3.46Å; L585-L593 VanDerWaalsContact CD2-CD2 3.46Å; L585-L604 HydrophobicContact CD1-CD1 3.33Å; L585-L604 HydrophobicContact CD1-CD2 3.93Å; L585-L604 HydrophobicContact CD1-CG 4.27Å
586S78.5Confident81Confident105 Ų10556.8 Ų56.873%0.73432%0.317SS*.G310 helixtrans-65.2-10.7177.558.30000114.4E584E584-S586 PolarHBondContact O-N 2.94Å; E584-S586 VanDerWaalsContact O-N 3.14Å
587Q76.7Confident81Confident81 Ų8152.7 Ų52.738%0.37930%0.304SS..G310 helixtrans-94.6-13.2177.6-55.3-176.1-97.300112.7E584 L585E584-Q587 HydrophobicContact CB-CG 4.36Å; E584-Q587 VanDerWaalsContact O-CB 3.3Å; E584-Q587 WeakPolarHBondContact O-CB 3.42Å; E584-Q587 PolarHBondContact O-N 3.4Å; L585-Q587 PolarHBondContact O-N 3.23Å; L585-Q587 VanDerWaalsContact O-N 3.09Å
588V78.9Confident81Confident7 Ų753.4 Ų53.44%0.04231%0.309CS..SBendtrans-89.3141.4179.9-177.30000109.7V541 L578 L585 V592 L593V541-V588 HydrophobicContact CG1-CG1 4.47Å; L578-V588 HydrophobicContact CD2-CG2 3.68Å; L585-V588 PolarHBondContact O-N 2.93Å; L585-V588 VanDerWaalsContact O-N 3.1Å; V588-V592 HydrophobicContact CG1-CB 3.89Å; V588-V592 HydrophobicContact CG1-CG1 3.85Å; V588-L593 HydrophobicContact CB-CD2 3.85Å; V588-L593 HydrophobicContact CG1-CG 3.96Å; V588-L593 HydrophobicContact CG1-CD2 3.77Å; V588-L593 HydrophobicContact CB-CG 4.08Å
589D81.5Confident80.9Confident75 Ų7557.7 Ų57.740%0.40132%0.324SS..  trans-59.5132.1177.8-172.3-73.3000111.2A591 V592 L593D589-A591 PolarHBondContact O-N 2.92Å; D589-A591 VanDerWaalsContact O-N 3.15Å; D589-A591 VanDerWaalsContact OD1-CB 3.26Å; D589-A591 WeakPolarHBondContact OD1-CB 3.38Å; D589-A591 PolarHBondContact OD1-N 3.32Å; D589-V592 HydrophobicContact CB-CB 4.46Å; D589-V592 HydrophobicContact CB-CG2 3.97Å; D589-V592 WeakPolarHBondContact O-CA 3.13Å; D589-V592 WeakPolarHBondContact O-CB 3.4Å; D589-V592 PolarHBondContact O-N 3.47Å; D589-L593 PolarHBondContact O-N 2.86Å
590P83.3Confident80.6Confident71 Ų7158 Ų5846%0.46133%0.33SS..Hα-helixtrans-56.5-31.2-178.8-27.535.1000114.5V592 L593 K594P590-V592 VanDerWaalsContact C-N 3.3Å; P590-L593 PolarHBondContact O-N 2.91Å; P590-K594 VanDerWaalsContact O-CG 3.31Å; P590-K594 WeakPolarHBondContact O-CG 3.47Å; P590-K594 PolarHBondContact O-N 3.31Å
591A84.2Confident80.3Confident45 Ų4559.9 Ų59.937%0.37233%0.333SS..Hα-helixtrans-69.1-31.5176.300000111.9L548 D589 A595L548-A591 HydrophobicContact CD1-CB 3.82Å; L548-A591 HydrophobicContact CD2-CB 4.16Å; D589-A591 PolarHBondContact O-N 2.92Å; D589-A591 VanDerWaalsContact O-N 3.15Å; D589-A591 VanDerWaalsContact OD1-CB 3.26Å; D589-A591 WeakPolarHBondContact OD1-CB 3.38Å; D589-A591 PolarHBondContact OD1-N 3.32Å; A591-A595 PolarHBondContact O-N 2.97Å
592V88.6Confident79.7Confident1 Ų162.8 Ų62.81%0.00634%0.34CS..Hα-helixtrans-70.5-47.1172.9179.70000109.9V541 L544 E545 L548 V588 D589 P590 K594 A595 F596V541-V592 HydrophobicContact CG1-CG1 4.11Å; L544-V592 HydrophobicContact CB-CG1 4.1Å; L544-V592 HydrophobicContact CB-CG2 3.89Å; L544-V592 HydrophobicContact CD1-CG1 3.98Å; E545-V592 HydrophobicContact CG-CG2 3.86Å; L548-V592 HydrophobicContact CD1-CG2 3.57Å; V588-V592 HydrophobicContact CG1-CB 3.89Å; V588-V592 HydrophobicContact CG1-CG1 3.85Å; D589-V592 HydrophobicContact CB-CB 4.46Å; D589-V592 HydrophobicContact CB-CG2 3.97Å; D589-V592 WeakPolarHBondContact O-CA 3.13Å; D589-V592 WeakPolarHBondContact O-CB 3.4Å; D589-V592 PolarHBondContact O-N 3.47Å; P590-V592 VanDerWaalsContact C-N 3.3Å; V592-K594 VanDerWaalsContact C-N 3.27Å; V592-K594 PolarHBondContact O-N 3.19Å; V592-A595 WeakPolarHBondContact O-CA 3.37Å; V592-A595 VanDerWaalsContact O-CB 3.26Å; V592-A595 WeakPolarHBondContact O-CB 3.48Å; V592-A595 PolarHBondContact O-N 3.31Å; V592-F596 HydrophobicContact CG1-CD2 4.2Å; V592-F596 HydrophobicContact CG1-CE2 3.93Å; V592-F596 VanDerWaalsContact O-CD2 3.3Å; V592-F596 WeakPolarHBondContact O-CD2 3.32Å; V592-F596 PolarHBondContact O-N 3Å
593L88.1Confident78.3Confident23 Ų2367 Ų6712%0.1236%0.364CS..Hα-helixtrans-54.8-42.9176.6-69.2-177.4000112.5L574 L585 V588 D589 P590 A595 F596 G597 V598L574-L593 HydrophobicContact CD2-CD2 3.97Å; L585-L593 HydrophobicContact CD2-CD2 3.46Å; L585-L593 VanDerWaalsContact CD2-CD2 3.46Å; V588-L593 HydrophobicContact CB-CD2 3.85Å; V588-L593 HydrophobicContact CG1-CG 3.96Å; V588-L593 HydrophobicContact CG1-CD2 3.77Å; V588-L593 HydrophobicContact CB-CG 4.08Å; D589-L593 PolarHBondContact O-N 2.86Å; P590-L593 PolarHBondContact O-N 2.91Å; L593-A595 PolarHBondContact O-N 2.89Å; L593-A595 VanDerWaalsContact C-N 3.26Å; L593-F596 CarbonylContact O-C 3.53Å; L593-F596 PolarHBondContact O-N 2.85Å; L593-F596 WeakPolarHBondContact O-CB 3.36Å; L593-F596 WeakPolarHBondContact O-CA 3.43Å; L593-G597 PolarHBondContact O-N 3.23Å; L593-V598 CarbonylContact C-O 3.56Å; L593-V598 VanDerWaalsContact C-O 3.23Å; L593-V598 HydrophobicContact CB-CB 4.02Å; L593-V598 HydrophobicContact CB-CG1 4.27Å; L593-V598 HydrophobicContact CD1-CG1 4.48Å; L593-V598 HydrophobicContact CD2-CB 4.46Å; L593-V598 HydrophobicContact CD2-CG1 4.46Å; L593-V598 PolarHBondContact O-N 2.96Å
594K84.8Confident77.1Confident96 Ų9671 Ų7142%0.41739%0.386SS..Hα-helixtrans-60.1-34.6175-73.9175.1-176.1-178.70113P590 V592 F596 G597 V598 Y599P590-K594 VanDerWaalsContact O-CG 3.31Å; P590-K594 WeakPolarHBondContact O-CG 3.47Å; P590-K594 PolarHBondContact O-N 3.31Å; V592-K594 VanDerWaalsContact C-N 3.27Å; V592-K594 PolarHBondContact O-N 3.19Å; K594-F596 PolarHBondContact O-N 3.09Å; K594-G597 PolarHBondContact O-N 3.4Å; K594-V598 PolarHBondContact N-O 3.37Å; K594-Y599 HydrophobicContact CG-CE1 4Å; K594-Y599 HydrophobicContact CD-CD1 4.5Å; K594-Y599 HydrophobicContact CB-CE1 4.3Å; K594-Y599 HydrophobicContact CG-CD1 3.88Å
595A85.4Confident75.5Confident38 Ų3877.7 Ų77.731%0.31442%0.424SS..Hα-helixtrans-66-22.7175.400000112.8L544 I563 A591 V592 L593L544-A595 HydrophobicContact CD1-CB 3.71Å; I563-A595 HydrophobicContact CD1-CB 4.32Å; I563-A595 WeakPolarHBondContact CG2-O 3.27Å; A591-A595 PolarHBondContact O-N 2.97Å; V592-A595 WeakPolarHBondContact O-CA 3.37Å; V592-A595 VanDerWaalsContact O-CB 3.26Å; V592-A595 WeakPolarHBondContact O-CB 3.48Å; V592-A595 PolarHBondContact O-N 3.31Å; L593-A595 PolarHBondContact O-N 2.89Å; L593-A595 VanDerWaalsContact C-N 3.26Å
596F88Confident75.3Confident7 Ų779.4 Ų79.43%0.03143%0.434CS..THydrogen-bonded Turntrans-94.88.6173.2-72.1-84.1000113.5V540 V541 L544 I563 A570 L573 L574 V592 L593 K594 V598V540-F596 HydrophobicContact CG1-CZ 4Å; V541-F596 HydrophobicContact CG2-CE2 3.65Å; V541-F596 HydrophobicContact CG2-CZ 3.51Å; L544-F596 HydrophobicContact CD1-CE2 4.04Å; I563-F596 HydrophobicContact CD1-CD1 4.34Å; I563-F596 HydrophobicContact CD1-CD2 4.24Å; I563-F596 HydrophobicContact CD1-CE1 3.87Å; I563-F596 HydrophobicContact CD1-CE2 3.7Å; I563-F596 HydrophobicContact CD1-CZ 3.51Å; I563-F596 HydrophobicContact CG1-CE1 3.93Å; I563-F596 HydrophobicContact CG1-CZ 3.98Å; I563-F596 HydrophobicContact CG2-CD1 3.85Å; I563-F596 HydrophobicContact CG2-CE1 4.03Å; I563-F596 HydrophobicContact CG2-CG 4.44Å; A570-F596 HydrophobicContact CB-CD1 3.99Å; A570-F596 WeakPolarHBondContact O-CD1 3.46Å; A570-F596 WeakPolarHBondContact O-CE1 3.31Å; L573-F596 HydrophobicContact CB-CE1 4.33Å; L574-F596 HydrophobicContact CB-CD1 3.88Å; L574-F596 HydrophobicContact CB-CE1 4.13Å; L574-F596 HydrophobicContact CB-CG 4.16Å; L574-F596 HydrophobicContact CD1-CD2 4.39Å; L574-F596 HydrophobicContact CD2-CB 3.98Å; L574-F596 HydrophobicContact CD2-CD2 4.48Å; L574-F596 HydrophobicContact CD2-CG 4.15Å; V592-F596 HydrophobicContact CG1-CD2 4.2Å; V592-F596 HydrophobicContact CG1-CE2 3.93Å; V592-F596 VanDerWaalsContact O-CD2 3.3Å; V592-F596 WeakPolarHBondContact O-CD2 3.32Å; V592-F596 PolarHBondContact O-N 3Å; L593-F596 CarbonylContact O-C 3.53Å; L593-F596 PolarHBondContact O-N 2.85Å; L593-F596 WeakPolarHBondContact O-CB 3.36Å; L593-F596 WeakPolarHBondContact O-CA 3.43Å; K594-F596 PolarHBondContact O-N 3.09Å; F596-V598 VanDerWaalsContact C-N 3.26Å; F596-V598 PolarHBondContact O-N 3.42Å
597G82.1Confident75.1Confident23 Ų2378.1 Ų78.124%0.23742%0.418CS..THydrogen-bonded Turntrans72.916.4-177.100000114.2L593 K594 Y599 Y602L593-G597 PolarHBondContact O-N 3.23Å; K594-G597 PolarHBondContact O-N 3.4Å; G597-Y599 VanDerWaalsContact O-CD2 3.25Å; G597-Y599 WeakPolarHBondContact O-CD2 3.3Å; G597-Y599 WeakPolarHBondContact O-CE2 3.31Å; G597-Y602 VanDerWaalsContact O-CZ 3.25Å; G597-Y602 PolarHBondContact O-OH 2.87Å
598V83.2Confident75Confident17 Ų1777.9 Ų77.910%0.10342%0.42CS..  trans-95.2113.6174.5-179.90000108.8L571 L574 L593 K594 F596L571-V598 HydrophobicContact CD2-CG2 3.62Å; L574-V598 HydrophobicContact CD2-CG2 4Å; L593-V598 CarbonylContact C-O 3.56Å; L593-V598 VanDerWaalsContact C-O 3.23Å; L593-V598 HydrophobicContact CB-CB 4.02Å; L593-V598 HydrophobicContact CB-CG1 4.27Å; L593-V598 HydrophobicContact CD1-CG1 4.48Å; L593-V598 HydrophobicContact CD2-CB 4.46Å; L593-V598 HydrophobicContact CD2-CG1 4.46Å; L593-V598 PolarHBondContact O-N 2.96Å; K594-V598 PolarHBondContact N-O 3.37Å; F596-V598 VanDerWaalsContact C-N 3.26Å; F596-V598 PolarHBondContact O-N 3.42Å
599Y80.5Confident74.8Confident110 Ų11082.1 Ų82.143%0.43144%0.442SS..  trans-116.6165.1-178.3-59.4-91.3000110.8K594 G597 D601 Y602K594-Y599 HydrophobicContact CG-CE1 4Å; K594-Y599 HydrophobicContact CD-CD1 4.5Å; K594-Y599 HydrophobicContact CB-CE1 4.3Å; K594-Y599 HydrophobicContact CG-CD1 3.88Å; G597-Y599 VanDerWaalsContact O-CD2 3.25Å; G597-Y599 WeakPolarHBondContact O-CD2 3.3Å; G597-Y599 WeakPolarHBondContact O-CE2 3.31Å; Y599-D601 WeakPolarHBondContact CB-OD1 3Å; Y599-D601 PolarHBondContact O-N 2.98Å; Y599-Y602 HydrophobicContact CD2-CD2 4.26Å; Y599-Y602 AromaticContact CD2-CE2 3.52Å; Y599-Y602 HydrophobicContact CD2-CE2 3.52Å; Y599-Y602 HydrophobicContact CG-CE2 4.18Å; Y599-Y602 PolarHBondContact O-N 3.48Å; Y599-Y602 VanDerWaalsContact O-N 3.16Å
600D71.8Confident74.4Confident146 Ų14682.5 Ų82.578%0.78145%0.445SS*.THydrogen-bonded Turntrans-62-16.5-174.2-57.5-43000113.6
601D66.5Low73.8Confident128 Ų12883.3 Ų83.368%0.68444%0.444SS*.THydrogen-bonded Turntrans-95.11.1-178.460.1-32.6000114.7Y599Y599-D601 WeakPolarHBondContact CB-OD1 3Å; Y599-D601 PolarHBondContact O-N 2.98Å
602Y59.2Low73.1Confident129 Ų12986 Ų8651%0.50645%0.449SS..  trans-78.1124.9179-81-117.5000111.3G597 Y599G597-Y602 VanDerWaalsContact O-CZ 3.25Å; G597-Y602 PolarHBondContact O-OH 2.87Å; Y599-Y602 HydrophobicContact CD2-CD2 4.26Å; Y599-Y602 AromaticContact CD2-CE2 3.52Å; Y599-Y602 HydrophobicContact CD2-CE2 3.52Å; Y599-Y602 HydrophobicContact CG-CE2 4.18Å; Y599-Y602 PolarHBondContact O-N 3.48Å; Y599-Y602 VanDerWaalsContact O-N 3.16Å
603V46.4Very low71.9Confident128 Ų12892.5 Ų92.578%0.77648%0.483SS*.  trans-87.2106.9166.8-178.10000107.7L605V603-L605 PolarHBondContact O-N 2.61Å
604L53.7Low70.5Confident122 Ų12298.3 Ų98.364%0.63951%0.513SS*.  trans-76.6115.1171.2-64.4152.6000107.9L585L585-L604 HydrophobicContact CD1-CD1 3.33Å; L585-L604 HydrophobicContact CD1-CD2 3.93Å; L585-L604 HydrophobicContact CD1-CG 4.27Å
605L44.8Very low69.2Low236 Ų23698.5 Ų98.5100%1.23652%0.522SS*.  trans-83.30173.1-76.9171.1000111.6V603V603-L605 PolarHBondContact O-N 2.61Å

Retrieved 605 of 605 residues in 526.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).