A0A5K4EJ12_SCHMA Loading...

Intraflagellar transport protein 57 homolog

AlphaFold DB , UniProt , Accession A0A5K4EJ12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 372 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.3Very low50.1Low209 Ų209131.2 Ų131.2100%1.0365%0.652SS**  0-41.20-61.2-166.4-161.100113.4R3 E4M1-R3 PolarHBondContact O-N 3Å; M1-E4 PolarHBondContact O-N 3.24Å
2S52.2Low50Low101 Ų101123.5 Ų123.571%0.70663%0.631SS**Hα-helixtrans-68.3-29.4-178.8-42.60000115.2E4 V6S2-E4 VanDerWaalsContact C-N 3.3Å; S2-E4 PolarHBondContact O-N 3.29Å; S2-V6 WeakPolarHBondContact O-CG2 3.49Å
3R49.7Very low50.1Low227 Ų227122.3 Ų122.386%0.85762%0.621SS**Hα-helixtrans-71.6-23.1177.3-79.2-176.8172.8173.3-2.4114.1M1 K7M1-R3 PolarHBondContact O-N 3Å; R3-K7 PolarHBondContact O-N 3.25Å
4E50.9Low50.3Low151 Ų151121.7 Ų121.771%0.70662%0.615SS**Hα-helixtrans-87.6-35.1-174.5-148.8153.4-155.300111.2M1 S2 V6 K7 S8M1-E4 PolarHBondContact O-N 3.24Å; S2-E4 VanDerWaalsContact C-N 3.3Å; S2-E4 PolarHBondContact O-N 3.29Å; E4-V6 VanDerWaalsContact C-N 3.33Å; E4-V6 PolarHBondContact O-N 3.01Å; E4-K7 PolarHBondContact O-N 3.14Å; E4-S8 PolarHBondContact O-N 3.18Å; E4-S8 VanDerWaalsContact O-N 3.12Å
5K50.8Low50.6Low166 Ų166118.7 Ų118.772%0.72260%0.598SS**Hα-helixtrans-69.7-27.9173.7-152.6172.8-174.4179.10113.2S8 S9K5-S8 PolarHBondContact O-OG 3.21Å; K5-S9 WeakPolarHBondContact O-CB 3.49Å; K5-S9 PolarHBondContact O-N 3.14Å
6V52.6Low51.1Low79 Ų79121.7 Ų121.748%0.47961%0.606SS.*Hα-helixtrans-71.5-42.8172.3176.70000110.4S2 E4 S8 S9 E10S2-V6 WeakPolarHBondContact O-CG2 3.49Å; E4-V6 VanDerWaalsContact C-N 3.33Å; E4-V6 PolarHBondContact O-N 3.01Å; V6-S8 PolarHBondContact O-N 3.2Å; V6-S9 PolarHBondContact O-N 3.05Å; V6-E10 HydrophobicContact CG1-CG 4.33Å; V6-E10 WeakPolarHBondContact O-CG 3.47Å; V6-E10 PolarHBondContact O-N 2.99Å
7K49.5Very low51.8Low155 Ų155124.6 Ų124.667%0.67461%0.609SS**Hα-helixtrans-63-38.9176.9-89.5-172.8172.6-172.90113.5R3 E4 H11R3-K7 PolarHBondContact O-N 3.25Å; E4-K7 PolarHBondContact O-N 3.14Å; K7-H11 VanDerWaalsContact O-CB 3.29Å; K7-H11 WeakPolarHBondContact O-CB 3.28Å; K7-H11 PolarHBondContact O-N 3.06Å
8S50.1Low52.7Low79 Ų79124.9 Ų124.955%0.55261%0.609SS**Hα-helixtrans-71-34.2177.1630000112.7E4 K5 V6 G12E4-S8 PolarHBondContact O-N 3.18Å; E4-S8 VanDerWaalsContact O-N 3.12Å; K5-S8 PolarHBondContact O-OG 3.21Å; V6-S8 PolarHBondContact O-N 3.2Å; S8-G12 PolarHBondContact O-N 3.07Å; S8-G12 VanDerWaalsContact O-N 3.1Å
9S50.9Low54.3Low68 Ų68126.5 Ų126.548%0.47661%0.609SS.*Hα-helixtrans-67.3-46.2174-168.10000111.8K5 V6 H11 G12 E13K5-S9 WeakPolarHBondContact O-CB 3.49Å; K5-S9 PolarHBondContact O-N 3.14Å; V6-S9 PolarHBondContact O-N 3.05Å; S9-H11 VanDerWaalsContact C-N 3.32Å; S9-H11 PolarHBondContact O-N 3.04Å; S9-G12 PolarHBondContact O-N 3.47Å; S9-E13 PolarHBondContact O-N 3.4Å; S9-E13 VanDerWaalsContact O-N 3.09Å
10E48.3Very low55.9Low106 Ų106122.2 Ų122.250%0.49560%0.595SS.*Hα-helixtrans-62.6-39.8176.2-75.7177.6163.700111.2V6 G12 E13 E14V6-E10 HydrophobicContact CG1-CG 4.33Å; V6-E10 WeakPolarHBondContact O-CG 3.47Å; V6-E10 PolarHBondContact O-N 2.99Å; E10-G12 PolarHBondContact O-N 3.41Å; E10-E13 PolarHBondContact O-N 3.05Å; E10-E14 WeakPolarHBondContact O-CB 3.36Å; E10-E14 WeakPolarHBondContact O-CG 3.33Å; E10-E14 PolarHBondContact O-N 3.23Å
11H47.2Very low57.4Low102 Ų102117.4 Ų117.447%0.47257%0.573SS.*Hα-helixtrans-67.1-37.2179.1-15954.9000112.7K7 S9 E14 Q15K7-H11 VanDerWaalsContact O-CB 3.29Å; K7-H11 WeakPolarHBondContact O-CB 3.28Å; K7-H11 PolarHBondContact O-N 3.06Å; S9-H11 VanDerWaalsContact C-N 3.32Å; S9-H11 PolarHBondContact O-N 3.04Å; H11-E14 IonicContact ND1-OE2 3.82Å; H11-Q15 PolarHBondContact CD2-NE2 2.79Å; H11-Q15 PolarHBondContact NE2-NE2 3.19Å; H11-Q15 WeakPolarHBondContact O-CB 3.18Å; H11-Q15 VanDerWaalsContact O-CG 3.23Å; H11-Q15 WeakPolarHBondContact O-CG 3.37Å; H11-Q15 PolarHBondContact O-N 3.23Å
12G49.6Very low59.4Low39 Ų39110.8 Ų110.840%0.40254%0.539SS..Hα-helixtrans-65.8-38.3173.800000112.7S8 S9 E10 K16S8-G12 PolarHBondContact O-N 3.07Å; S8-G12 VanDerWaalsContact O-N 3.1Å; S9-G12 PolarHBondContact O-N 3.47Å; E10-G12 PolarHBondContact O-N 3.41Å; G12-K16 WeakPolarHBondContact O-CB 3.36Å; G12-K16 PolarHBondContact O-N 3.14Å
13E51.7Low61.1Low108 Ų108108.9 Ų108.951%0.50553%0.529SS..Hα-helixtrans-67.4-47.9174.1-72.1-176.8-172.100111.5S9 E10 Q15 K16 Y17S9-E13 PolarHBondContact O-N 3.4Å; S9-E13 VanDerWaalsContact O-N 3.09Å; E10-E13 PolarHBondContact O-N 3.05Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 2.79Å; E13-K16 WeakPolarHBondContact O-CB 3.4Å; E13-K16 PolarHBondContact O-N 2.78Å; E13-K16 VanDerWaalsContact O-N 3.1Å; E13-Y17 HydrophobicContact CB-CE2 4.2Å; E13-Y17 WeakPolarHBondContact O-CD2 3.37Å; E13-Y17 PolarHBondContact O-N 2.85Å
14E51.8Low62.9Low114 Ų114100.3 Ų100.353%0.53350%0.499SS..Hα-helixtrans-55.7-45.8176.1-77.4-179.4170.500112.1E10 H11 Y17 Q18E10-E14 WeakPolarHBondContact O-CB 3.36Å; E10-E14 WeakPolarHBondContact O-CG 3.33Å; E10-E14 PolarHBondContact O-N 3.23Å; H11-E14 IonicContact ND1-OE2 3.82Å; E14-Y17 PolarHBondContact O-N 2.96Å; E14-Q18 WeakPolarHBondContact O-CG 3.31Å; E14-Q18 PolarHBondContact O-N 3.27Å; E14-Q18 VanDerWaalsContact O-N 3.09Å
15Q55.6Low64.8Low77 Ų7793.1 Ų93.136%0.3647%0.465SS..Hα-helixtrans-63.1-42.3176.1-73.2175.311.200111.7H11 E13 Y17 Q18 Y19H11-Q15 PolarHBondContact CD2-NE2 2.79Å; H11-Q15 PolarHBondContact NE2-NE2 3.19Å; H11-Q15 WeakPolarHBondContact O-CB 3.18Å; H11-Q15 VanDerWaalsContact O-CG 3.23Å; H11-Q15 WeakPolarHBondContact O-CG 3.37Å; H11-Q15 PolarHBondContact O-N 3.23Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 2.79Å; Q15-Y17 VanDerWaalsContact C-N 3.25Å; Q15-Y17 PolarHBondContact O-N 3.43Å; Q15-Q18 WeakPolarHBondContact O-CA 3.28Å; Q15-Q18 WeakPolarHBondContact O-CB 3.48Å; Q15-Q18 PolarHBondContact O-N 2.93Å; Q15-Y19 HydrophobicContact CB-CE2 4.28Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.45Å; Q15-Y19 PolarHBondContact O-N 2.93Å; Q15-Y19 VanDerWaalsContact O-N 3.11Å
16K58.6Low66.7Low166 Ų16688.9 Ų88.972%0.72245%0.448SS*.Hα-helixtrans-59.1-38.1177.2-167.2178.9-178.8-178.30111.7G12 E13 Y19 A20G12-K16 WeakPolarHBondContact O-CB 3.36Å; G12-K16 PolarHBondContact O-N 3.14Å; E13-K16 WeakPolarHBondContact O-CB 3.4Å; E13-K16 PolarHBondContact O-N 2.78Å; E13-K16 VanDerWaalsContact O-N 3.1Å; K16-Y19 PolarHBondContact O-N 3.29Å; K16-A20 PolarHBondContact O-N 2.92Å
17Y62.5Low68.5Low171 Ų17187.4 Ų87.467%0.67144%0.441SS*.Hα-helixtrans-68-34.4173.2-67.3-68000112.6E13 E14 Q15 Y19 A20E13-Y17 HydrophobicContact CB-CE2 4.2Å; E13-Y17 WeakPolarHBondContact O-CD2 3.37Å; E13-Y17 PolarHBondContact O-N 2.85Å; E14-Y17 PolarHBondContact O-N 2.96Å; Q15-Y17 VanDerWaalsContact C-N 3.25Å; Q15-Y17 PolarHBondContact O-N 3.43Å; Y17-Y19 PolarHBondContact O-N 3.46Å; Y17-A20 PolarHBondContact O-N 2.94Å
18Q68.9Low70.5Confident130 Ų13080 Ų8061%0.60741%0.409SS*.Hα-helixtrans-63.8-39.9175.7-68.6-172.69.200112.2E14 Q15 A20 F22E14-Q18 WeakPolarHBondContact O-CG 3.31Å; E14-Q18 PolarHBondContact O-N 3.27Å; E14-Q18 VanDerWaalsContact O-N 3.09Å; Q15-Q18 WeakPolarHBondContact O-CA 3.28Å; Q15-Q18 WeakPolarHBondContact O-CB 3.48Å; Q15-Q18 PolarHBondContact O-N 2.93Å; Q18-A20 PolarHBondContact O-N 2.87Å; Q18-F22 VanDerWaalsContact O-CD2 3.24Å; Q18-F22 WeakPolarHBondContact O-CD2 3.44Å; Q18-F22 WeakPolarHBondContact O-CE2 3.31Å
19Y82.4Confident72.4Confident156 Ų15676.9 Ų76.961%0.61239%0.387SS*.Hα-helixtrans-73.3-24.7179.7-66.1-67.8000114Q15 K16 Y17 V21 F22 A23Q15-Y19 HydrophobicContact CB-CE2 4.28Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.45Å; Q15-Y19 PolarHBondContact O-N 2.93Å; Q15-Y19 VanDerWaalsContact O-N 3.11Å; K16-Y19 PolarHBondContact O-N 3.29Å; Y17-Y19 PolarHBondContact O-N 3.46Å; Y19-V21 PolarHBondContact O-N 3.25Å; Y19-F22 PolarHBondContact O-N 3.13Å; Y19-F22 VanDerWaalsContact O-N 3.11Å; Y19-A23 PolarHBondContact O-N 3.26Å
20A85.8Confident74.2Confident39 Ų3976.8 Ų76.832%0.32238%0.381SS..Hα-helixtrans-58.4-37.4-179.400000112.6K16 Y17 Q18 F22 A23 Q24K16-A20 PolarHBondContact O-N 2.92Å; Y17-A20 PolarHBondContact O-N 2.94Å; Q18-A20 PolarHBondContact O-N 2.87Å; A20-F22 VanDerWaalsContact C-N 3.32Å; A20-F22 PolarHBondContact O-N 2.78Å; A20-A23 PolarHBondContact O-N 2.9Å; A20-Q24 WeakPolarHBondContact O-CG 3.39Å; A20-Q24 PolarHBondContact O-N 3.46Å
21V87.7Confident76.2Confident23 Ų2373.4 Ų73.414%0.13937%0.365CS..Hα-helixtrans-63.1-39.4178.4-176.70000111.5Y19 Q24 M25 A56 E123 I126Y19-V21 PolarHBondContact O-N 3.25Å; V21-Q24 PolarHBondContact O-N 2.99Å; V21-M25 WeakPolarHBondContact O-CB 3.33Å; V21-M25 PolarHBondContact O-N 2.78Å; V21-A56 HydrophobicContact CG1-CB 4Å; V21-E123 HydrophobicContact CG2-CB 4.1Å; V21-E123 HydrophobicContact CG2-CG 4.26Å; V21-I126 HydrophobicContact CG1-CD1 3.53Å
22F89.9Confident78.2Confident69 Ų6968.6 Ų68.630%0.30334%0.343SS..Hα-helixtrans-69-40178.3-62.7-87.4000111.6Q18 Y19 A20 M25 E26 H53 A56 I57Q18-F22 VanDerWaalsContact O-CD2 3.24Å; Q18-F22 WeakPolarHBondContact O-CD2 3.44Å; Q18-F22 WeakPolarHBondContact O-CE2 3.31Å; Y19-F22 PolarHBondContact O-N 3.13Å; Y19-F22 VanDerWaalsContact O-N 3.11Å; A20-F22 VanDerWaalsContact C-N 3.32Å; A20-F22 PolarHBondContact O-N 2.78Å; F22-M25 PolarHBondContact O-N 2.85Å; F22-E26 PolarHBondContact O-N 3.47Å; F22-H53 HydrophobicContact CD1-CB 4.25Å; F22-H53 AromaticContact CD1-CD2 3.64Å; F22-H53 HydrophobicContact CE1-CB 4.43Å; F22-A56 HydrophobicContact CD1-CB 3.87Å; F22-A56 HydrophobicContact CE1-CB 3.93Å; F22-A56 HydrophobicContact CG-CB 4.46Å; F22-I57 HydrophobicContact CE1-CD1 4.34Å; F22-I57 HydrophobicContact CE1-CG1 3.95Å; F22-I57 HydrophobicContact CZ-CG1 4.44Å
23A87.9Confident79.9Confident61 Ų6172 Ų7250%0.50435%0.347SS..Hα-helixtrans-64.5-41.7175.400000112.3Y19 A20 M25 E26 S27Y19-A23 PolarHBondContact O-N 3.26Å; A20-A23 PolarHBondContact O-N 2.9Å; A23-M25 VanDerWaalsContact C-N 3.3Å; A23-M25 PolarHBondContact O-N 2.66Å; A23-E26 PolarHBondContact O-N 2.76Å; A23-S27 PolarHBondContact O-N 2.87Å; A23-S27 VanDerWaalsContact O-N 3.08Å
24Q89.3Confident81.5Confident47 Ų4770.2 Ų70.222%0.2234%0.34CS..Hα-helixtrans-63-37.5174.7-71.8173.63.700112.1A20 V21 L28 E123 I126 N127 N130A20-Q24 WeakPolarHBondContact O-CG 3.39Å; A20-Q24 PolarHBondContact O-N 3.46Å; V21-Q24 PolarHBondContact O-N 2.99Å; Q24-L28 PolarHBondContact O-N 2.97Å; Q24-E123 PolarHBondContact NE2-OE1 2.74Å; Q24-I126 HydrophobicContact CB-CG2 3.78Å; Q24-N127 PolarHBondContact OE1-OD1 3.46Å; Q24-N127 VanDerWaalsContact OE1-OD1 3.05Å; Q24-N130 PolarHBondContact O-ND2 3.37Å
25M90.4Very high83Confident1 Ų165 Ų651%0.00532%0.316CS..Hα-helixtrans-70.1-36.8176.4-177.564.7-158.200112V21 F22 A23 L28 S29 I50 R52 F55 A56 I126V21-M25 WeakPolarHBondContact O-CB 3.33Å; V21-M25 PolarHBondContact O-N 2.78Å; F22-M25 PolarHBondContact O-N 2.85Å; A23-M25 VanDerWaalsContact C-N 3.3Å; A23-M25 PolarHBondContact O-N 2.66Å; M25-L28 WeakPolarHBondContact O-CB 3.35Å; M25-L28 PolarHBondContact O-N 3.49Å; M25-L28 HydrophobicContact SD-CD2 3.91Å; M25-S29 WeakPolarHBondContact O-CB 3.26Å; M25-S29 PolarHBondContact O-N 3.15Å; M25-I50 HydrophobicContact CE-CG2 4.24Å; M25-R52 WeakPolarHBondContact CG-O 3.38Å; M25-F55 HydrophobicContact CE-CD2 3.92Å; M25-F55 HydrophobicContact SD-CB 3.93Å; M25-F55 HydrophobicContact SD-CD2 3.96Å; M25-F55 HydrophobicContact SD-CG 4.45Å; M25-A56 HydrophobicContact CB-CB 4.41Å; M25-I126 HydrophobicContact CB-CD1 4.08Å; M25-I126 HydrophobicContact SD-CD1 4.47Å; M25-I126 HydrophobicContact SD-CG1 4.21Å
26E90.3Very high84.4Confident76 Ų7665.5 Ų65.536%0.35532%0.321SS..Hα-helixtrans-60.1-49.8173.7176.2169.2-172.600111.1F22 A23 L28 S29 D30 R52F22-E26 PolarHBondContact O-N 3.47Å; A23-E26 PolarHBondContact O-N 2.76Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.45Å; E26-S29 WeakPolarHBondContact O-CB 3.3Å; E26-S29 PolarHBondContact O-N 3.12Å; E26-S29 PolarHBondContact O-OG 3.15Å; E26-D30 PolarHBondContact O-N 2.92Å; E26-R52 IonicContact OE1-CZ 2.74Å; E26-R52 IonicContact OE1-NH2 3.91Å; E26-R52 PolarHBondContact OE1-NH2 2.93Å; E26-R52 IonicContact OE2-CZ 2.78Å; E26-R52 IonicContact OE2-NE 3.68Å; E26-R52 IonicContact OE2-NH2 3.99Å; E26-R52 PolarHBondContact OE2-NH2 2.84Å
27S89.7Confident85.6Confident48 Ų4858.1 Ų58.134%0.33629%0.289SS..Hα-helixtrans-52.4-46.5172.2158.60000111.4A23 S29 D30 K31A23-S27 PolarHBondContact O-N 2.87Å; A23-S27 VanDerWaalsContact O-N 3.08Å; S27-S29 PolarHBondContact O-N 3.13Å; S27-D30 PolarHBondContact O-N 3.32Å; S27-K31 WeakPolarHBondContact O-CG 3.46Å; S27-K31 PolarHBondContact O-N 2.77Å; S27-K31 VanDerWaalsContact OG-CE 3.26Å; S27-K31 WeakPolarHBondContact OG-CE 3.13Å; S27-K31 PolarHBondContact OG-NZ 3.27Å
28L92Very high86.3Confident0 Ų054.5 Ų54.50%028%0.278CS..Hα-helixtrans-61-44.1176.3178.161000111.7Q24 M25 E26 D30 K31 L32 I126 L129 N130 A133Q24-L28 PolarHBondContact O-N 2.97Å; M25-L28 WeakPolarHBondContact O-CB 3.35Å; M25-L28 PolarHBondContact O-N 3.49Å; M25-L28 HydrophobicContact SD-CD2 3.91Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.45Å; L28-D30 VanDerWaalsContact C-N 3.29Å; L28-D30 PolarHBondContact O-N 2.97Å; L28-K31 PolarHBondContact O-N 2.8Å; L28-L32 HydrophobicContact CD1-CD1 4.33Å; L28-L32 HydrophobicContact CD1-CG 4.14Å; L28-L32 HydrophobicContact CG-CD1 4.08Å; L28-L32 HydrophobicContact CG-CG 4.34Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.45Å; L28-L32 PolarHBondContact O-N 3.13Å; L28-I126 HydrophobicContact CD2-CG2 4.43Å; L28-L129 HydrophobicContact CD1-CB 3.92Å; L28-L129 HydrophobicContact CD2-CB 3.61Å; L28-L129 HydrophobicContact CD2-CD1 3.88Å; L28-L129 HydrophobicContact CD2-CG 4.42Å; L28-L129 HydrophobicContact CG-CB 4.44Å; L28-N130 WeakPolarHBondContact CA-OD1 3.16Å; L28-N130 WeakPolarHBondContact CB-OD1 3.24Å; L28-N130 PolarHBondContact N-OD1 2.8Å; L28-A133 HydrophobicContact CD1-CB 4Å
29S89.5Confident86.7Confident13 Ų1355 Ų559%0.09128%0.278CS..Hα-helixtrans-61.6-38-178.2790000112.2M25 E26 S27 L32 K33M25-S29 WeakPolarHBondContact O-CB 3.26Å; M25-S29 PolarHBondContact O-N 3.15Å; E26-S29 WeakPolarHBondContact O-CB 3.3Å; E26-S29 PolarHBondContact O-N 3.12Å; E26-S29 PolarHBondContact O-OG 3.15Å; S27-S29 PolarHBondContact O-N 3.13Å; S29-L32 PolarHBondContact O-N 3.17Å; S29-K33 WeakPolarHBondContact O-CG 3.44Å; S29-K33 PolarHBondContact O-N 2.91Å
30D89Confident86.5Confident67 Ų6751.1 Ų51.136%0.35827%0.265SS..Hα-helixtrans-74.5-39.8178.1-68-23.6000111.6E26 S27 L28 L32 K33 L34E26-D30 PolarHBondContact O-N 2.92Å; S27-D30 PolarHBondContact O-N 3.32Å; L28-D30 VanDerWaalsContact C-N 3.29Å; L28-D30 PolarHBondContact O-N 2.97Å; D30-L32 VanDerWaalsContact C-N 3.29Å; D30-L32 PolarHBondContact O-N 3.08Å; D30-K33 PolarHBondContact O-N 3Å; D30-K33 IonicContact OD1-NZ 2.78Å; D30-K33 PolarHBondContact OD1-NZ 3.29Å; D30-L34 WeakPolarHBondContact O-CG 3.44Å; D30-L34 PolarHBondContact O-N 2.93Å
31K89.8Confident86.1Confident34 Ų3449.8 Ų49.815%0.14825%0.251CS..Hα-helixtrans-58.3-41170.8-68.4172.4-173.4-177.40112S27 L28 L34 L35 N130 A133 D134 L137S27-K31 WeakPolarHBondContact O-CG 3.46Å; S27-K31 PolarHBondContact O-N 2.77Å; S27-K31 VanDerWaalsContact OG-CE 3.26Å; S27-K31 WeakPolarHBondContact OG-CE 3.13Å; S27-K31 PolarHBondContact OG-NZ 3.27Å; L28-K31 PolarHBondContact O-N 2.8Å; K31-L34 PolarHBondContact O-N 3.19Å; K31-L35 WeakPolarHBondContact O-CG 3.45Å; K31-L35 PolarHBondContact O-N 3.45Å; K31-N130 PolarHBondContact NZ-OD1 3.34Å; K31-A133 HydrophobicContact CB-CB 4.1Å; K31-A133 HydrophobicContact CD-CB 4.25Å; K31-D134 VanDerWaalsContact CD-OD1 3.29Å; K31-D134 WeakPolarHBondContact CD-OD1 3.45Å; K31-D134 WeakPolarHBondContact CE-OD1 3.17Å; K31-D134 IonicContact NZ-OD1 3.77Å; K31-D134 PolarHBondContact NZ-OD1 3.3Å; K31-D134 IonicContact NZ-OD2 3Å; K31-D134 PolarHBondContact NZ-OD2 2.91Å; K31-L137 HydrophobicContact CB-CD1 3.79Å; K31-L137 HydrophobicContact CD-CD1 4.3Å; K31-L137 HydrophobicContact CG-CD1 3.67Å
32L89.1Confident85.5Confident2 Ų249 Ų491%0.0125%0.247CC..Hα-helixtrans-65.2-42.3176-71.6175.3000112.2L28 S29 D30 L34 L35 N36 Y37 L71 W74 L75L28-L32 HydrophobicContact CD1-CD1 4.33Å; L28-L32 HydrophobicContact CD1-CG 4.14Å; L28-L32 HydrophobicContact CG-CD1 4.08Å; L28-L32 HydrophobicContact CG-CG 4.34Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.45Å; L28-L32 PolarHBondContact O-N 3.13Å; S29-L32 PolarHBondContact O-N 3.17Å; D30-L32 VanDerWaalsContact C-N 3.29Å; D30-L32 PolarHBondContact O-N 3.08Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L32-L35 CarbonylContact O-C 3.51Å; L32-L35 PolarHBondContact O-N 2.9Å; L32-N36 PolarHBondContact O-N 3.28Å; L32-Y37 VanDerWaalsContact C-CD1 3.49Å; L32-Y37 HydrophobicContact CB-CD1 3.66Å; L32-Y37 HydrophobicContact CB-CE1 4.18Å; L32-Y37 HydrophobicContact CB-CG 3.92Å; L32-Y37 WeakPolarHBondContact O-CB 3.29Å; L32-Y37 WeakPolarHBondContact O-CD1 3.44Å; L32-Y37 PolarHBondContact O-N 3.08Å; L32-Y37 VanDerWaalsContact O-N 3.09Å; L32-L71 HydrophobicContact CD1-CD2 4.11Å; L32-L71 HydrophobicContact CD2-CD1 4Å; L32-L71 HydrophobicContact CD2-CD2 4.5Å; L32-W74 HydrophobicContact CD2-CZ3 3.99Å; L32-L75 HydrophobicContact CD2-CD2 3.99Å
33K86.6Confident84.6Confident110 Ų11052.9 Ų52.948%0.47826%0.264SS..Hα-helixtrans-61.3-42.9174.5-71.8170-166.1157.80111.5S29 D30 L35 N36 Y37S29-K33 WeakPolarHBondContact O-CG 3.44Å; S29-K33 PolarHBondContact O-N 2.91Å; D30-K33 PolarHBondContact O-N 3Å; D30-K33 IonicContact OD1-NZ 2.78Å; D30-K33 PolarHBondContact OD1-NZ 3.29Å; K33-L35 VanDerWaalsContact C-N 3.28Å; K33-L35 PolarHBondContact O-N 2.94Å; K33-N36 WeakPolarHBondContact O-CA 3.47Å; K33-N36 PolarHBondContact O-N 3.26Å; K33-Y37 HydrophobicContact CG-CE1 4.42Å
34L84.4Confident83.9Confident71 Ų7158.4 Ų58.437%0.37227%0.271SS..Hα-helixtrans-58.8-40.8174.9-71.5171.9000111.7D30 K31 L32 N36 L137 I142 L144D30-L34 WeakPolarHBondContact O-CG 3.44Å; D30-L34 PolarHBondContact O-N 2.93Å; K31-L34 PolarHBondContact O-N 3.19Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L34-N36 PolarHBondContact O-N 3.18Å; L34-N36 VanDerWaalsContact O-N 3.13Å; L34-L137 HydrophobicContact CB-CD2 3.94Å; L34-I142 HydrophobicContact CB-CD1 4.29Å; L34-I142 VanDerWaalsContact O-CD1 3.28Å; L34-I142 WeakPolarHBondContact O-CD1 3.24Å; L34-L144 HydrophobicContact CD2-CD2 3.67Å
35L84.6Confident83Confident3 Ų360.7 Ų60.72%0.01628%0.278CS..THydrogen-bonded Turntrans-710.2173.9-67.7168.2000114K31 L32 K33 Y37 W74 L75 A133 L137 Q140 I142K31-L35 WeakPolarHBondContact O-CG 3.45Å; K31-L35 PolarHBondContact O-N 3.45Å; L32-L35 CarbonylContact O-C 3.51Å; L32-L35 PolarHBondContact O-N 2.9Å; K33-L35 VanDerWaalsContact C-N 3.28Å; K33-L35 PolarHBondContact O-N 2.94Å; L35-Y37 VanDerWaalsContact C-N 3.29Å; L35-Y37 PolarHBondContact O-N 3.32Å; L35-W74 HydrophobicContact CB-CH2 3.85Å; L35-W74 HydrophobicContact CB-CZ3 4.5Å; L35-W74 HydrophobicContact CD1-CZ3 4.5Å; L35-L75 HydrophobicContact CD1-CD2 3.69Å; L35-A133 HydrophobicContact CD1-CB 4.44Å; L35-L137 HydrophobicContact CD1-CG 4.36Å; L35-L137 HydrophobicContact CD2-CD2 3.67Å; L35-L137 HydrophobicContact CD2-CG 4.06Å; L35-L137 HydrophobicContact CG-CD2 3.7Å; L35-L137 HydrophobicContact CG-CG 4.07Å; L35-Q140 HydrophobicContact CD2-CG 3.98Å; L35-I142 HydrophobicContact CD2-CD1 4.34Å
36N83.1Confident81.9Confident89 Ų8969.2 Ų69.248%0.47632%0.318SS..THydrogen-bonded Turntrans54.642-175.3-75.2-75.6000112.7L32 K33 L34 E38 K39 K40L32-N36 PolarHBondContact O-N 3.28Å; K33-N36 WeakPolarHBondContact O-CA 3.47Å; K33-N36 PolarHBondContact O-N 3.26Å; L34-N36 PolarHBondContact O-N 3.18Å; L34-N36 VanDerWaalsContact O-N 3.13Å; N36-E38 PolarHBondContact O-N 3.23Å; N36-K39 PolarHBondContact O-N 3.37Å; N36-K39 VanDerWaalsContact O-N 3.17Å; N36-K40 PolarHBondContact O-N 2.83Å
37Y83.8Confident81.1Confident11 Ų1169.7 Ų69.74%0.04332%0.32CS..Hα-helixtrans-58.4-34.3-176.190.8-74.3000112.7L32 K33 L35 K39 K40 F41 C42 I50L32-Y37 VanDerWaalsContact C-CD1 3.49Å; L32-Y37 HydrophobicContact CB-CD1 3.66Å; L32-Y37 HydrophobicContact CB-CE1 4.18Å; L32-Y37 HydrophobicContact CB-CG 3.92Å; L32-Y37 WeakPolarHBondContact O-CB 3.29Å; L32-Y37 WeakPolarHBondContact O-CD1 3.44Å; L32-Y37 PolarHBondContact O-N 3.08Å; L32-Y37 VanDerWaalsContact O-N 3.09Å; K33-Y37 HydrophobicContact CG-CE1 4.42Å; L35-Y37 VanDerWaalsContact C-N 3.29Å; L35-Y37 PolarHBondContact O-N 3.32Å; Y37-K39 VanDerWaalsContact C-N 3.29Å; Y37-K39 PolarHBondContact O-N 3.13Å; Y37-K40 PolarHBondContact O-N 2.84Å; Y37-F41 HydrophobicContact CD2-CD1 4.38Å; Y37-F41 VanDerWaalsContact O-CA 3.31Å; Y37-F41 WeakPolarHBondContact O-CA 3.39Å; Y37-F41 WeakPolarHBondContact O-CB 3.19Å; Y37-F41 PolarHBondContact O-N 3.12Å; Y37-C42 VanDerWaalsContact CE2-SG 3.53Å; Y37-C42 PolarHBondContact O-N 3.36Å; Y37-C42 VanDerWaalsContact O-N 3.09Å; Y37-I50 HydrophobicContact CE2-CB 4.3Å; Y37-I50 HydrophobicContact CE2-CD1 4.37Å; Y37-I50 HydrophobicContact CE2-CG1 4.15Å; Y37-I50 PolarHBondContact OH-N 3.08Å; Y37-I50 VanDerWaalsContact OH-N 3.11Å; Y37-I50 PolarHBondContact OH-O 3.03Å
38E78.7Confident80.4Confident95 Ų9576.2 Ų76.244%0.44434%0.342SS..Iπ-helixtrans-59.8-40.2179.5-60.2-175.317100112.3N36 C42 K43N36-E38 PolarHBondContact O-N 3.23Å; E38-C42 VanDerWaalsContact O-CB 3.29Å; E38-C42 WeakPolarHBondContact O-CB 3.31Å; E38-K43 PolarHBondContact O-N 2.99Å; E38-K43 VanDerWaalsContact O-N 3.1Å
39K77.7Confident79.8Confident140 Ų14079.7 Ų79.761%0.60937%0.365SS*.Iπ-helixtrans-80.8-44.3177.2-68.3-179.3-176.8173.10111.8N36 Y37N36-K39 PolarHBondContact O-N 3.37Å; N36-K39 VanDerWaalsContact O-N 3.17Å; Y37-K39 VanDerWaalsContact C-N 3.29Å; Y37-K39 PolarHBondContact O-N 3.13Å
40K77.2Confident79.5Confident75 Ų7580.5 Ų80.533%0.32637%0.367SS..Iπ-helixtrans-81.3-32.6-172.1-72-175.2178178.10114.1N36 Y37 R44 W74N36-K40 PolarHBondContact O-N 2.83Å; Y37-K40 PolarHBondContact O-N 2.84Å; K40-R44 PolarHBondContact O-NE 3.49Å; K40-R44 PolarHBondContact O-NH2 3.41Å; K40-W74 HydrophobicContact CB-CZ2 3.81Å; K40-W74 HydrophobicContact CD-CZ2 4.35Å
41F76.4Confident79.3Confident11 Ų1181.5 Ų81.55%0.04838%0.376CS..Iπ-helixtrans-107.8-58.8-175.9-179.4-101.3000111.8Y37 R44 R45 A70 L71 W74Y37-F41 HydrophobicContact CD2-CD1 4.38Å; Y37-F41 VanDerWaalsContact O-CA 3.31Å; Y37-F41 WeakPolarHBondContact O-CA 3.39Å; Y37-F41 WeakPolarHBondContact O-CB 3.19Å; Y37-F41 PolarHBondContact O-N 3.12Å; F41-R44 PolarHBondContact O-N 3.31Å; F41-R45 PolarHBondContact O-N 3.44Å; F41-R45 VanDerWaalsContact O-N 3.12Å; F41-A70 HydrophobicContact CE2-CB 4.41Å; F41-A70 HydrophobicContact CZ-CB 4.18Å; F41-L71 HydrophobicContact CD1-CD1 4.5Å; F41-L71 HydrophobicContact CE1-CD1 4.33Å; F41-L71 HydrophobicContact CZ-CB 4.46Å; F41-L71 HydrophobicContact CZ-CD1 4.4Å; F41-W74 HydrophobicContact CB-CD2 3.96Å; F41-W74 HydrophobicContact CB-CE3 4.44Å; F41-W74 HydrophobicContact CB-CG 4.25Å; F41-W74 HydrophobicContact CB-CZ2 4.31Å; F41-W74 HydrophobicContact CD2-CB 3.55Å; F41-W74 AromaticContact CD2-CD1 3.88Å; F41-W74 AromaticContact CD2-CD2 3.93Å; F41-W74 HydrophobicContact CD2-CD2 3.93Å; F41-W74 AromaticContact CD2-CG 3.46Å; F41-W74 HydrophobicContact CD2-CG 3.46Å; F41-W74 VanDerWaalsContact CD2-CG 3.46Å; F41-W74 HydrophobicContact CE2-CB 3.76Å; F41-W74 HydrophobicContact CE2-CG 4.2Å; F41-W74 HydrophobicContact CG-CD2 4.24Å; F41-W74 HydrophobicContact CG-CG 4.23Å
42C75.3Confident79Confident7 Ų786 Ų865%0.04739%0.392CS..Iπ-helixtrans-64.6-49-173.3-62.10000112.5Y37 E38 R44 R45 H46 Q47Y37-C42 VanDerWaalsContact CE2-SG 3.53Å; Y37-C42 PolarHBondContact O-N 3.36Å; Y37-C42 VanDerWaalsContact O-N 3.09Å; E38-C42 VanDerWaalsContact O-CB 3.29Å; E38-C42 WeakPolarHBondContact O-CB 3.31Å; C42-R44 VanDerWaalsContact C-N 3.33Å; C42-R44 PolarHBondContact O-N 3.36Å; C42-R45 PolarHBondContact O-N 3.46Å; C42-H46 WeakPolarHBondContact O-CA 3.29Å; C42-H46 PolarHBondContact O-N 3.25Å; C42-Q47 VanDerWaalsContact CB-O 3.29Å; C42-Q47 WeakPolarHBondContact CB-O 2.98Å; C42-Q47 PolarHBondContact O-N 3.36Å
43K71.7Confident78.9Confident149 Ų14989 Ų8965%0.64841%0.406SS*.Hα-helixtrans-62.5-37.1178.7-70.5-172.2-179.2-169.90113.4E38E38-K43 PolarHBondContact O-N 2.99Å; E38-K43 VanDerWaalsContact O-N 3.1Å
44R73.3Confident79Confident178 Ų17885.5 Ų85.567%0.67239%0.39SS*.Hα-helixtrans-75.8-24.7-177.9-174.6145.754.2104.4-0.6113.1K40 F41 C42K40-R44 PolarHBondContact O-NE 3.49Å; K40-R44 PolarHBondContact O-NH2 3.41Å; F41-R44 PolarHBondContact O-N 3.31Å; C42-R44 VanDerWaalsContact C-N 3.33Å; C42-R44 PolarHBondContact O-N 3.36Å
45R70.8Confident79.3Confident95 Ų9582.1 Ų82.136%0.35837%0.373SS..Hα-helixtrans-108.12.9-179-68.3-167.9164.3-125.8-9.4114.5F41 C42 Q47F41-R45 PolarHBondContact O-N 3.44Å; F41-R45 VanDerWaalsContact O-N 3.12Å; C42-R45 PolarHBondContact O-N 3.46Å; R45-Q47 HydrophobicContact CB-CB 4.39Å; R45-Q47 HydrophobicContact CB-CG 3.81Å; R45-Q47 PolarHBondContact O-N 3.01Å
46H67.5Low79.5Confident180 Ų18082.7 Ų82.783%0.83338%0.378SS*.THydrogen-bonded Turntrans52.326-171.6-56.2-73.4000113.4C42C42-H46 WeakPolarHBondContact O-CA 3.29Å; C42-H46 PolarHBondContact O-N 3.25Å
47Q72.5Confident79.8Confident85 Ų8582.5 Ų82.540%0.39738%0.376SS..PPolyproline II helixtrans-86143.4177.9-70.6-64.5-23.200109.3C42 R45C42-Q47 VanDerWaalsContact CB-O 3.29Å; C42-Q47 WeakPolarHBondContact CB-O 2.98Å; C42-Q47 PolarHBondContact O-N 3.36Å; R45-Q47 HydrophobicContact CB-CB 4.39Å; R45-Q47 HydrophobicContact CB-CG 3.81Å; R45-Q47 PolarHBondContact O-N 3.01Å
48K75.4Confident80Confident186 Ų18686.5 Ų86.581%0.80940%0.403SS*.PPolyproline II helixtrans-67.2148.6173.1-67.9-179.3-179.6176.50109.5I50K48-I50 PolarHBondContact O-N 2.86Å
49P79.8Confident80.3Confident73 Ų7385.9 Ų85.947%0.47441%0.406SS..PPolyproline II helixtrans-52.7138.4170.3-25.835.2000110.9T51P49-T51 PolarHBondContact O-N 3.37Å
50I83.4Confident80.9Confident29 Ų2983.1 Ų83.115%0.14940%0.398CS..PPolyproline II helixtrans-72.2126.5-177.8-60.7175.6000107.4M25 Y37 K48 Y54 F55 L71M25-I50 HydrophobicContact CE-CG2 4.24Å; Y37-I50 HydrophobicContact CE2-CB 4.3Å; Y37-I50 HydrophobicContact CE2-CD1 4.37Å; Y37-I50 HydrophobicContact CE2-CG1 4.15Å; Y37-I50 PolarHBondContact OH-N 3.08Å; Y37-I50 VanDerWaalsContact OH-N 3.11Å; Y37-I50 PolarHBondContact OH-O 3.03Å; K48-I50 PolarHBondContact O-N 2.86Å; I50-Y54 HydrophobicContact CG2-CD1 4.11Å; I50-Y54 HydrophobicContact CG2-CG 4.06Å; I50-F55 HydrophobicContact CD1-CE2 4.13Å; I50-F55 HydrophobicContact CD1-CZ 4.5Å; I50-F55 HydrophobicContact CG2-CD2 4.45Å; I50-F55 HydrophobicContact CG2-CE2 4.11Å; I50-L71 HydrophobicContact CD1-CD1 4.19Å; I50-L71 HydrophobicContact CD1-CD2 3.79Å; I50-L71 HydrophobicContact CD1-CG 4.5Å
51T85.2Confident81.4Confident89 Ų8983.2 Ų83.255%0.54641%0.406SS..PPolyproline II helixtrans-67.4152178.664.70000110.5P49 H53 Y54P49-T51 PolarHBondContact O-N 3.37Å; T51-H53 PolarHBondContact O-N 3Å; T51-Y54 WeakPolarHBondContact O-CB 3.26Å; T51-Y54 PolarHBondContact O-N 3.38Å; T51-Y54 WeakPolarHBondContact OG1-CB 3.22Å
52R83.6Confident81.9Confident129 Ų12985 Ų8549%0.48743%0.428SS..THydrogen-bonded Turntrans-50.9-29.2-173-173.5176.2173.3171.9-3.6114.2M25 E26M25-R52 WeakPolarHBondContact CG-O 3.38Å; E26-R52 IonicContact OE1-CZ 2.74Å; E26-R52 IonicContact OE1-NH2 3.91Å; E26-R52 PolarHBondContact OE1-NH2 2.93Å; E26-R52 IonicContact OE2-CZ 2.78Å; E26-R52 IonicContact OE2-NE 3.68Å; E26-R52 IonicContact OE2-NH2 3.99Å; E26-R52 PolarHBondContact OE2-NH2 2.84Å
53H85.7Confident82.5Confident65 Ų6589.2 Ų89.230%0.30145%0.447SS..THydrogen-bonded Turntrans-12118.5-176.8-51.7112.6000113.7F22 T51 F55 A56 I57F22-H53 HydrophobicContact CD1-CB 4.25Å; F22-H53 AromaticContact CD1-CD2 3.64Å; F22-H53 HydrophobicContact CE1-CB 4.43Å; T51-H53 PolarHBondContact O-N 3Å; H53-F55 VanDerWaalsContact C-N 3.33Å; H53-F55 PolarHBondContact O-N 3.13Å; H53-A56 HydrophobicContact CB-CB 4.37Å; H53-A56 PolarHBondContact O-N 3.05Å; H53-I57 HydrophobicContact CB-CD1 4.13Å; H53-I57 HydrophobicContact CB-CG1 4.42Å; H53-I57 PolarHBondContact O-N 3.23Å; H53-I57 VanDerWaalsContact O-N 3.16Å
54Y88.4Confident83.5Confident36 Ų3682.1 Ų82.114%0.14142%0.416CS..THydrogen-bonded Turntrans-57.2-38.5-171.1-174-102.7000114.4I50 T51 E63 Q64 C67I50-Y54 HydrophobicContact CG2-CD1 4.11Å; I50-Y54 HydrophobicContact CG2-CG 4.06Å; T51-Y54 WeakPolarHBondContact O-CB 3.26Å; T51-Y54 PolarHBondContact O-N 3.38Å; T51-Y54 WeakPolarHBondContact OG1-CB 3.22Å; Y54-E63 PolarHBondContact OH-OE1 2.89Å; Y54-Q64 HydrophobicContact CE1-CG 3.94Å; Y54-Q64 PolarHBondContact O-NE2 2.93Å; Y54-C67 HydrophobicContact CE1-CB 3.98Å
55F90.4Very high84.4Confident0 Ų075 Ų750%039%0.39CS..THydrogen-bonded Turntrans-89.6-12.1178-65.5-67.2000113.6M25 I50 H53 C67 F68 L71 G120 C121 G122 I126 L129M25-F55 HydrophobicContact CE-CD2 3.92Å; M25-F55 HydrophobicContact SD-CB 3.93Å; M25-F55 HydrophobicContact SD-CD2 3.96Å; M25-F55 HydrophobicContact SD-CG 4.45Å; I50-F55 HydrophobicContact CD1-CE2 4.13Å; I50-F55 HydrophobicContact CD1-CZ 4.5Å; I50-F55 HydrophobicContact CG2-CD2 4.45Å; I50-F55 HydrophobicContact CG2-CE2 4.11Å; H53-F55 VanDerWaalsContact C-N 3.33Å; H53-F55 PolarHBondContact O-N 3.13Å; F55-C67 HydrophobicContact CE1-CB 4.42Å; F55-C67 HydrophobicContact CZ-CB 4.39Å; F55-F68 HydrophobicContact CE1-CB 3.93Å; F55-L71 HydrophobicContact CE2-CD2 3.71Å; F55-L71 HydrophobicContact CZ-CD2 4.07Å; F55-G120 VanDerWaalsContact CD1-O 3.3Å; F55-G120 WeakPolarHBondContact CD1-O 3.26Å; F55-C121 CarbonylContact O-C 3.6Å; F55-C121 WeakPolarHBondContact O-CA 3.33Å; F55-C121 WeakPolarHBondContact O-CB 3.46Å; F55-G122 PolarHBondContact O-N 2.93Å; F55-I126 HydrophobicContact CB-CD1 4.22Å; F55-I126 HydrophobicContact CB-CG1 3.77Å; F55-L129 HydrophobicContact CD2-CD1 3.94Å; F55-L129 HydrophobicContact CE2-CD1 3.79Å; F55-L129 HydrophobicContact CG-CD1 4.38Å; F55-L129 HydrophobicContact CZ-CD1 4.09Å
56A89.5Confident85.3Confident15 Ų1572.3 Ų72.312%0.12438%0.381CS..THydrogen-bonded Turntrans-82-35.1178.100000111.5V21 F22 M25 H53 I126V21-A56 HydrophobicContact CG1-CB 4Å; F22-A56 HydrophobicContact CD1-CB 3.87Å; F22-A56 HydrophobicContact CE1-CB 3.93Å; F22-A56 HydrophobicContact CG-CB 4.46Å; M25-A56 HydrophobicContact CB-CB 4.41Å; H53-A56 HydrophobicContact CB-CB 4.37Å; H53-A56 PolarHBondContact O-N 3.05Å; A56-I126 HydrophobicContact CB-CD1 4.29Å
57I88.6Confident86.3Confident84 Ų8464.8 Ų64.843%0.43135%0.348SS..SBendtrans-100.5123.9-178.5-56.2172.9000109.2F22 H53 T59 Q64F22-I57 HydrophobicContact CE1-CD1 4.34Å; F22-I57 HydrophobicContact CE1-CG1 3.95Å; F22-I57 HydrophobicContact CZ-CG1 4.44Å; H53-I57 HydrophobicContact CB-CD1 4.13Å; H53-I57 HydrophobicContact CB-CG1 4.42Å; H53-I57 PolarHBondContact O-N 3.23Å; H53-I57 VanDerWaalsContact O-N 3.16Å; I57-T59 PolarHBondContact O-N 3.41Å; I57-Q64 PolarHBondContact O-NE2 3.17Å
58P88.1Confident87.3Confident95 Ų9560.7 Ų60.762%0.61733%0.33SS*.  trans-64.5124.2173.126.9-32.6000109.5
59T87Confident88.1Confident83 Ų8352 Ų5251%0.50929%0.292SS..  trans-118.8-96.3176.553.80000108.8I57 Q64I57-T59 PolarHBondContact O-N 3.41Å; T59-Q64 WeakPolarHBondContact OG1-CG 3.43Å; T59-Q64 PolarHBondContact OG1-NE2 2.81Å
60N89.2Confident88.6Confident82 Ų8248.8 Ų48.844%0.43927%0.271SS..  trans-107.7108.7173.2-177.5-11.4000109.5G62 E63 Q64N60-G62 VanDerWaalsContact C-N 3.26Å; N60-G62 PolarHBondContact O-N 3.09Å; N60-G62 PolarHBondContact OD1-N 3.23Å; N60-E63 HydrophobicContact CB-CB 3.92Å; N60-E63 PolarHBondContact O-N 3.17Å; N60-Q64 WeakPolarHBondContact O-CB 3.33Å; N60-Q64 WeakPolarHBondContact O-CG 3.29Å; N60-Q64 PolarHBondContact O-N 3.28Å
61P87.3Confident88.9Confident76 Ų7647.4 Ų47.449%0.49426%0.264SS..Hα-helixtrans-56.6-36.1-175.3-26.834.3000114.1F65P61-F65 WeakPolarHBondContact O-CB 3.29Å; P61-F65 PolarHBondContact O-N 2.94Å
62G87.6Confident89.3Confident49 Ų4943.1 Ų43.151%0.50524%0.238SC..Hα-helixtrans-69.7-4517900000112.3N60 F65 H66N60-G62 VanDerWaalsContact C-N 3.26Å; N60-G62 PolarHBondContact O-N 3.09Å; N60-G62 PolarHBondContact OD1-N 3.23Å; G62-F65 PolarHBondContact O-N 2.98Å; G62-H66 PolarHBondContact O-N 2.82Å
63E88.7Confident89.7Confident96 Ų9637.2 Ų37.245%0.44922%0.217SC..Hα-helixtrans-67-44.7176.8-170.1-168.6147.400111.2Y54 N60 F65 H66 C67Y54-E63 PolarHBondContact OH-OE1 2.89Å; N60-E63 HydrophobicContact CB-CB 3.92Å; N60-E63 PolarHBondContact O-N 3.17Å; E63-F65 VanDerWaalsContact C-N 3.31Å; E63-F65 PolarHBondContact O-N 3.45Å; E63-H66 PolarHBondContact O-N 2.95Å; E63-C67 WeakPolarHBondContact O-CB 3.48Å; E63-C67 PolarHBondContact O-N 3.21Å; E63-C67 PolarHBondContact O-SG 3.29Å; E63-C67 VanDerWaalsContact O-SG 3.41Å
64Q91.2Very high89.9Confident0 Ų034.6 Ų34.60%020%0.204CC..Hα-helixtrans-62.5-39.2177.4-72.6-179.5-54.900111.5Y54 I57 T59 N60 C67 F68Y54-Q64 HydrophobicContact CE1-CG 3.94Å; Y54-Q64 PolarHBondContact O-NE2 2.93Å; I57-Q64 PolarHBondContact O-NE2 3.17Å; T59-Q64 WeakPolarHBondContact OG1-CG 3.43Å; T59-Q64 PolarHBondContact OG1-NE2 2.81Å; N60-Q64 WeakPolarHBondContact O-CB 3.33Å; N60-Q64 WeakPolarHBondContact O-CG 3.29Å; N60-Q64 PolarHBondContact O-N 3.28Å; Q64-C67 PolarHBondContact O-N 2.83Å; Q64-F68 WeakPolarHBondContact O-CB 3.35Å; Q64-F68 PolarHBondContact O-N 3.45Å
65F92Very high90Very high28 Ų2832.9 Ų32.912%0.12320%0.198CC..Hα-helixtrans-64.5-44.7174.4-178-105.8000111.8P61 G62 E63 F68 T69 P92 I96P61-F65 WeakPolarHBondContact O-CB 3.29Å; P61-F65 PolarHBondContact O-N 2.94Å; G62-F65 PolarHBondContact O-N 2.98Å; E63-F65 VanDerWaalsContact C-N 3.31Å; E63-F65 PolarHBondContact O-N 3.45Å; F65-F68 PolarHBondContact O-N 2.93Å; F65-T69 HydrophobicContact CD1-CG2 4.33Å; F65-T69 HydrophobicContact CD2-CG2 4.35Å; F65-T69 HydrophobicContact CE1-CG2 3.87Å; F65-T69 HydrophobicContact CE2-CG2 3.88Å; F65-T69 HydrophobicContact CZ-CG2 3.62Å; F65-T69 WeakPolarHBondContact O-CG2 3.35Å; F65-T69 PolarHBondContact O-N 3.23Å; F65-T69 PolarHBondContact O-OG1 3.46Å; F65-T69 VanDerWaalsContact O-OG1 3.13Å; F65-P92 HydrophobicContact CE1-CB 3.81Å; F65-P92 HydrophobicContact CE1-CG 4.28Å; F65-P92 HydrophobicContact CZ-CB 3.77Å; F65-I96 HydrophobicContact CE2-CD1 3.86Å; F65-I96 HydrophobicContact CE2-CG1 3.83Å; F65-I96 HydrophobicContact CZ-CD1 4.24Å; F65-I96 HydrophobicContact CZ-CG1 4.09Å
66H90.1Very high90.1Very high38 Ų3832.9 Ų32.918%0.17620%0.198CC..Hα-helixtrans-63.9-43.1175.5177.1-120.8000112.4G62 E63 F68 T69 A70 E88G62-H66 PolarHBondContact O-N 2.82Å; E63-H66 PolarHBondContact O-N 2.95Å; H66-F68 VanDerWaalsContact C-N 3.34Å; H66-F68 PolarHBondContact O-N 2.88Å; H66-T69 PolarHBondContact O-N 3.28Å; H66-T69 PolarHBondContact O-OG1 3.2Å; H66-A70 VanDerWaalsContact O-CB 3.24Å; H66-A70 WeakPolarHBondContact O-CB 3.28Å; H66-A70 PolarHBondContact O-N 3.11Å; H66-E88 IonicContact CE1-OE1 3.41Å; H66-E88 PolarHBondContact CE1-OE1 2.72Å; H66-E88 IonicContact ND1-OE1 3.72Å; H66-E88 IonicContact NE2-OE1 3.46Å
67C89.5Confident90Very high22 Ų2234.8 Ų34.815%0.14921%0.21CC..Hα-helixtrans-61.6-42.1173.7-77.10000111.6Y54 F55 E63 Q64 L71Y54-C67 HydrophobicContact CE1-CB 3.98Å; F55-C67 HydrophobicContact CE1-CB 4.42Å; F55-C67 HydrophobicContact CZ-CB 4.39Å; E63-C67 WeakPolarHBondContact O-CB 3.48Å; E63-C67 PolarHBondContact O-N 3.21Å; E63-C67 PolarHBondContact O-SG 3.29Å; E63-C67 VanDerWaalsContact O-SG 3.41Å; Q64-C67 PolarHBondContact O-N 2.83Å; C67-L71 WeakPolarHBondContact O-CB 3.35Å; C67-L71 PolarHBondContact O-N 3.47Å
68F92.8Very high89.9Confident0 Ų032.2 Ų32.20%020%0.196CC..Hα-helixtrans-62.3-50.3176.5167.3-99.5000111.4F55 Q64 F65 H66 A70 L71 A72 I99 L117 C125 V128 L129F55-F68 HydrophobicContact CE1-CB 3.93Å; Q64-F68 WeakPolarHBondContact O-CB 3.35Å; Q64-F68 PolarHBondContact O-N 3.45Å; F65-F68 PolarHBondContact O-N 2.93Å; H66-F68 VanDerWaalsContact C-N 3.34Å; H66-F68 PolarHBondContact O-N 2.88Å; F68-A70 PolarHBondContact O-N 3.2Å; F68-L71 PolarHBondContact O-N 2.88Å; F68-A72 VanDerWaalsContact O-CB 3.23Å; F68-A72 WeakPolarHBondContact O-CB 3.38Å; F68-A72 PolarHBondContact O-N 2.96Å; F68-I99 HydrophobicContact CE1-CD1 4.24Å; F68-L117 HydrophobicContact CE1-CB 4.5Å; F68-L117 HydrophobicContact CZ-CD2 4.18Å; F68-C125 HydrophobicContact CD2-CB 3.89Å; F68-C125 HydrophobicContact CE2-CB 3.86Å; F68-V128 HydrophobicContact CE2-CB 4.41Å; F68-V128 HydrophobicContact CE2-CG1 4.36Å; F68-V128 HydrophobicContact CZ-CB 4.42Å; F68-V128 HydrophobicContact CZ-CG1 4.12Å; F68-L129 HydrophobicContact CD2-CD1 3.83Å; F68-L129 HydrophobicContact CD2-CD2 4.11Å; F68-L129 HydrophobicContact CD2-CG 3.88Å; F68-L129 HydrophobicContact CE2-CD1 4.26Å; F68-L129 HydrophobicContact CE2-CD2 4.14Å; F68-L129 HydrophobicContact CE2-CG 3.84Å
69T91.8Very high89.7Confident3 Ų327.8 Ų27.82%0.01817%0.168CC..Hα-helixtrans-65.5-39.1-179.755.10000111.6F65 H66 A73 I99F65-T69 HydrophobicContact CD1-CG2 4.33Å; F65-T69 HydrophobicContact CD2-CG2 4.35Å; F65-T69 HydrophobicContact CE1-CG2 3.87Å; F65-T69 HydrophobicContact CE2-CG2 3.88Å; F65-T69 HydrophobicContact CZ-CG2 3.62Å; F65-T69 WeakPolarHBondContact O-CG2 3.35Å; F65-T69 PolarHBondContact O-N 3.23Å; F65-T69 PolarHBondContact O-OG1 3.46Å; F65-T69 VanDerWaalsContact O-OG1 3.13Å; H66-T69 PolarHBondContact O-N 3.28Å; H66-T69 PolarHBondContact O-OG1 3.2Å; T69-A73 VanDerWaalsContact O-CB 3.24Å; T69-A73 WeakPolarHBondContact O-CB 3.37Å; T69-A73 PolarHBondContact O-N 3.28Å; T69-I99 HydrophobicContact CG2-CD1 4Å
70A90.1Very high89.6Confident5 Ų530.7 Ų30.74%0.04118%0.18CC..Hα-helixtrans-65.7-42.5174.500000113.1F41 H66 F68 W74F41-A70 HydrophobicContact CE2-CB 4.41Å; F41-A70 HydrophobicContact CZ-CB 4.18Å; H66-A70 VanDerWaalsContact O-CB 3.24Å; H66-A70 WeakPolarHBondContact O-CB 3.28Å; H66-A70 PolarHBondContact O-N 3.11Å; F68-A70 PolarHBondContact O-N 3.2Å; A70-W74 WeakPolarHBondContact O-CB 3.44Å; A70-W74 PolarHBondContact O-N 3.02Å
71L90.8Very high89.1Confident0 Ų028.5 Ų28.50%017%0.171CC..Hα-helixtrans-68.7-43.5177.6-174.365.9000111.3L32 F41 I50 F55 C67 F68 W74 L75 L129L32-L71 HydrophobicContact CD1-CD2 4.11Å; L32-L71 HydrophobicContact CD2-CD1 4Å; L32-L71 HydrophobicContact CD2-CD2 4.5Å; F41-L71 HydrophobicContact CD1-CD1 4.5Å; F41-L71 HydrophobicContact CE1-CD1 4.33Å; F41-L71 HydrophobicContact CZ-CB 4.46Å; F41-L71 HydrophobicContact CZ-CD1 4.4Å; I50-L71 HydrophobicContact CD1-CD1 4.19Å; I50-L71 HydrophobicContact CD1-CD2 3.79Å; I50-L71 HydrophobicContact CD1-CG 4.5Å; F55-L71 HydrophobicContact CE2-CD2 3.71Å; F55-L71 HydrophobicContact CZ-CD2 4.07Å; C67-L71 WeakPolarHBondContact O-CB 3.35Å; C67-L71 PolarHBondContact O-N 3.47Å; F68-L71 PolarHBondContact O-N 2.88Å; L71-W74 HydrophobicContact CD1-CE3 3.97Å; L71-W74 HydrophobicContact CD1-CZ3 4.46Å; L71-W74 PolarHBondContact O-N 3.16Å; L71-L75 HydrophobicContact CG-CD1 4.3Å; L71-L75 WeakPolarHBondContact O-CG 3.39Å; L71-L75 PolarHBondContact O-N 2.88Å; L71-L129 HydrophobicContact CB-CD2 4.24Å; L71-L129 HydrophobicContact CD2-CD1 3.84Å; L71-L129 HydrophobicContact CD2-CD2 3.93Å; L71-L129 HydrophobicContact CD2-CG 4.46Å; L71-L129 HydrophobicContact CG-CD2 4.01Å
72A92.9Very high88.7Confident0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-60-47.3176.100000111F68 W74 L75 I76 I99 L129 L132F68-A72 VanDerWaalsContact O-CB 3.23Å; F68-A72 WeakPolarHBondContact O-CB 3.38Å; F68-A72 PolarHBondContact O-N 2.96Å; A72-W74 VanDerWaalsContact C-N 3.29Å; A72-W74 PolarHBondContact O-N 3Å; A72-L75 PolarHBondContact O-N 3.49Å; A72-I76 WeakPolarHBondContact O-CB 3.5Å; A72-I76 WeakPolarHBondContact O-CD1 3.37Å; A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 3.21Å; A72-I99 HydrophobicContact CB-CD1 3.93Å; A72-I99 HydrophobicContact CB-CG1 4.25Å; A72-I99 HydrophobicContact CB-CG2 4.09Å; A72-L129 HydrophobicContact CB-CD2 4.07Å; A72-L132 HydrophobicContact CB-CD1 3.89Å
73A91.4Very high88.4Confident4 Ų434.4 Ų34.43%0.03318%0.176CC..Hα-helixtrans-59.9-40.6176.200000112.1T69 S77 I83T69-A73 VanDerWaalsContact O-CB 3.24Å; T69-A73 WeakPolarHBondContact O-CB 3.37Å; T69-A73 PolarHBondContact O-N 3.28Å; A73-S77 PolarHBondContact O-N 3.24Å; A73-I83 HydrophobicContact CB-CG2 3.96Å; A73-I83 WeakPolarHBondContact O-CG2 3.42Å
74W90.4Very high87.9Confident11 Ų1137.2 Ų37.24%0.04219%0.194CC..Hα-helixtrans-63.8-46.8174.717871.8000112.3L32 L35 K40 F41 A70 L71 A72 I76 S77 Q78L32-W74 HydrophobicContact CD2-CZ3 3.99Å; L35-W74 HydrophobicContact CB-CH2 3.85Å; L35-W74 HydrophobicContact CB-CZ3 4.5Å; L35-W74 HydrophobicContact CD1-CZ3 4.5Å; K40-W74 HydrophobicContact CB-CZ2 3.81Å; K40-W74 HydrophobicContact CD-CZ2 4.35Å; F41-W74 HydrophobicContact CB-CD2 3.96Å; F41-W74 HydrophobicContact CB-CE3 4.44Å; F41-W74 HydrophobicContact CB-CG 4.25Å; F41-W74 HydrophobicContact CB-CZ2 4.31Å; F41-W74 HydrophobicContact CD2-CB 3.55Å; F41-W74 AromaticContact CD2-CD1 3.88Å; F41-W74 AromaticContact CD2-CD2 3.93Å; F41-W74 HydrophobicContact CD2-CD2 3.93Å; F41-W74 AromaticContact CD2-CG 3.46Å; F41-W74 HydrophobicContact CD2-CG 3.46Å; F41-W74 VanDerWaalsContact CD2-CG 3.46Å; F41-W74 HydrophobicContact CE2-CB 3.76Å; F41-W74 HydrophobicContact CE2-CG 4.2Å; F41-W74 HydrophobicContact CG-CD2 4.24Å; F41-W74 HydrophobicContact CG-CG 4.23Å; A70-W74 WeakPolarHBondContact O-CB 3.44Å; A70-W74 PolarHBondContact O-N 3.02Å; L71-W74 HydrophobicContact CD1-CE3 3.97Å; L71-W74 HydrophobicContact CD1-CZ3 4.46Å; L71-W74 PolarHBondContact O-N 3.16Å; A72-W74 VanDerWaalsContact C-N 3.29Å; A72-W74 PolarHBondContact O-N 3Å; W74-I76 PolarHBondContact O-N 2.87Å; W74-S77 WeakPolarHBondContact O-CB 3.24Å; W74-S77 PolarHBondContact O-N 2.97Å; W74-S77 VanDerWaalsContact O-N 3.16Å; W74-S77 PolarHBondContact O-OG 3.44Å; W74-Q78 HydrophobicContact CD2-CG 4.14Å; W74-Q78 HydrophobicContact CH2-CG 4.23Å; W74-Q78 HydrophobicContact CZ2-CG 3.76Å; W74-Q78 WeakPolarHBondContact O-CG 3.38Å; W74-Q78 PolarHBondContact O-N 2.85Å
75L91.4Very high87.4Confident0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-61.7-44.2177.6-69.8172.2000111.6L32 L35 L71 A72 S77 Q78 A79 L129 L132 A133 S136L32-L75 HydrophobicContact CD2-CD2 3.99Å; L35-L75 HydrophobicContact CD1-CD2 3.69Å; L71-L75 HydrophobicContact CG-CD1 4.3Å; L71-L75 WeakPolarHBondContact O-CG 3.39Å; L71-L75 PolarHBondContact O-N 2.88Å; A72-L75 PolarHBondContact O-N 3.49Å; L75-S77 VanDerWaalsContact C-N 3.25Å; L75-S77 PolarHBondContact O-N 3.04Å; L75-Q78 CarbonylContact O-C 3.58Å; L75-Q78 WeakPolarHBondContact O-CA 3.45Å; L75-Q78 WeakPolarHBondContact O-CB 3.44Å; L75-Q78 PolarHBondContact O-N 3.21Å; L75-A79 PolarHBondContact O-N 2.82Å; L75-L129 HydrophobicContact CD1-CB 4.45Å; L75-L129 HydrophobicContact CD1-CD2 3.9Å; L75-L132 HydrophobicContact CB-CB 3.79Å; L75-L132 HydrophobicContact CD1-CB 3.92Å; L75-L132 HydrophobicContact CG-CB 4.49Å; L75-A133 HydrophobicContact CD1-CB 4.34Å; L75-A133 HydrophobicContact CD2-CB 4.24Å; L75-S136 PolarHBondContact O-OG 2.93Å
76I91.1Very high87Confident0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-57.5-40.6175.1-67.7162.5000110.8A72 W74 Q78 A79 C81 I83 I99 A102 L132A72-I76 WeakPolarHBondContact O-CB 3.5Å; A72-I76 WeakPolarHBondContact O-CD1 3.37Å; A72-I76 WeakPolarHBondContact O-CG1 3.38Å; A72-I76 PolarHBondContact O-N 3.21Å; W74-I76 PolarHBondContact O-N 2.87Å; I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 PolarHBondContact O-N 2.61Å; I76-A79 CarbonylContact O-C 3.56Å; I76-A79 PolarHBondContact O-N 3.38Å; I76-C81 HydrophobicContact CG2-CB 3.45Å; I76-C81 VanDerWaalsContact CG2-CB 3.45Å; I76-C81 PolarHBondContact O-N 2.75Å; I76-C81 VanDerWaalsContact O-N 3.11Å; I76-I83 HydrophobicContact CB-CG2 3.88Å; I76-I83 HydrophobicContact CD1-CD1 3.68Å; I76-I83 HydrophobicContact CG2-CB 3.91Å; I76-I83 HydrophobicContact CG2-CG2 3.65Å; I76-I99 HydrophobicContact CD1-CG1 4.4Å; I76-I99 HydrophobicContact CD1-CG2 4.39Å; I76-A102 HydrophobicContact CD1-CB 3.64Å; I76-A102 HydrophobicContact CG1-CB 4.01Å; I76-A102 HydrophobicContact CG2-CB 3.95Å; I76-L132 HydrophobicContact CD1-CD1 4.2Å; I76-L132 HydrophobicContact CD1-CD2 4.34Å; I76-L132 HydrophobicContact CG1-CD1 4Å; I76-L132 HydrophobicContact CG1-CD2 3.59Å; I76-L132 HydrophobicContact CG1-CG 4.4Å
77S88.3Confident86.7Confident55 Ų5541.7 Ų41.739%0.38522%0.216SC..Hα-helixtrans-65.9-33.1174.382.30000113.5A73 W74 L75 A79 N80 C81A73-S77 PolarHBondContact O-N 3.24Å; W74-S77 WeakPolarHBondContact O-CB 3.24Å; W74-S77 PolarHBondContact O-N 2.97Å; W74-S77 VanDerWaalsContact O-N 3.16Å; W74-S77 PolarHBondContact O-OG 3.44Å; L75-S77 VanDerWaalsContact C-N 3.25Å; L75-S77 PolarHBondContact O-N 3.04Å; S77-A79 VanDerWaalsContact C-N 3.32Å; S77-N80 PolarHBondContact O-N 3.12Å; S77-C81 WeakPolarHBondContact CA-O 3.47Å
78Q85.4Confident86Confident29 Ų2947.1 Ų47.114%0.13624%0.239CC..Hα-helixtrans-73.9-27.4174.6-63.1-49.9-80.300111.8W74 L75 I76 N80W74-Q78 HydrophobicContact CD2-CG 4.14Å; W74-Q78 HydrophobicContact CH2-CG 4.23Å; W74-Q78 HydrophobicContact CZ2-CG 3.76Å; W74-Q78 WeakPolarHBondContact O-CG 3.38Å; W74-Q78 PolarHBondContact O-N 2.85Å; L75-Q78 CarbonylContact O-C 3.58Å; L75-Q78 WeakPolarHBondContact O-CA 3.45Å; L75-Q78 WeakPolarHBondContact O-CB 3.44Å; L75-Q78 PolarHBondContact O-N 3.21Å; I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 PolarHBondContact O-N 2.61Å; Q78-N80 PolarHBondContact O-N 3.39Å
79A85.7Confident85.3Confident3 Ų357.4 Ų57.43%0.02528%0.279CS..THydrogen-bonded Turntrans-82.719173.500000113.7L75 I76 S77 C81 L106 A135 I139L75-A79 PolarHBondContact O-N 2.82Å; I76-A79 CarbonylContact O-C 3.56Å; I76-A79 PolarHBondContact O-N 3.38Å; S77-A79 VanDerWaalsContact C-N 3.32Å; A79-C81 PolarHBondContact O-N 2.73Å; A79-L106 HydrophobicContact CB-CD1 4.05Å; A79-L106 HydrophobicContact CB-CD2 3.89Å; A79-A135 HydrophobicContact CB-CB 4.24Å; A79-I139 VanDerWaalsContact CA-CD1 3.48Å; A79-I139 HydrophobicContact CB-CD1 4.02Å; A79-I139 WeakPolarHBondContact O-CD1 3.3Å
80N83.1Confident85Confident144 Ų14460.8 Ų60.877%0.7730%0.298SS*.THydrogen-bonded Turntrans62.519.6176.9-155.447.9000115.3S77 Q78 I139S77-N80 PolarHBondContact O-N 3.12Å; Q78-N80 PolarHBondContact O-N 3.39Å; N80-I139 HydrophobicContact CB-CD1 4.4Å
81C79.1Confident84.9Confident35 Ų3566.4 Ų66.424%0.23633%0.327CS..  trans-98.4138.9170.9-69.60000110.1I76 S77 A79I76-C81 HydrophobicContact CG2-CB 3.45Å; I76-C81 VanDerWaalsContact CG2-CB 3.45Å; I76-C81 PolarHBondContact O-N 2.75Å; I76-C81 VanDerWaalsContact O-N 3.11Å; S77-C81 WeakPolarHBondContact CA-O 3.47Å; A79-C81 PolarHBondContact O-N 2.73Å
82K78.6Confident84.8Confident218 Ų21868.4 Ų68.495%0.94834%0.34SS*.  trans-87118.7175.2-66.1-177.9-178.6179.50109
83I81.7Confident84.7Confident32 Ų3272.8 Ų72.816%0.16436%0.363CS..  trans-131.8133.2171.5-168.7167.1000108.6A73 I76 T98 I99A73-I83 HydrophobicContact CB-CG2 3.96Å; A73-I83 WeakPolarHBondContact O-CG2 3.42Å; I76-I83 HydrophobicContact CB-CG2 3.88Å; I76-I83 HydrophobicContact CD1-CD1 3.68Å; I76-I83 HydrophobicContact CG2-CB 3.91Å; I76-I83 HydrophobicContact CG2-CG2 3.65Å; I83-T98 HydrophobicContact CD1-CG2 3.71Å; I83-T98 HydrophobicContact CG1-CG2 3.92Å; I83-I99 HydrophobicContact CD1-CG1 4.37Å
84D78.6Confident84.7Confident155 Ų15575 Ų7583%0.82938%0.382SS*.PPolyproline II helixtrans-70.9134.3171.4-67.8-39.3000108.6P86D84-P86 WeakPolarHBondContact O-CD 3.39Å
85Q81.9Confident84.7Confident41 Ų4175 Ų7519%0.19238%0.383CS..PPolyproline II helixtrans-62.6119.4-178.1171.161.952.200110Q87Q85-Q87 PolarHBondContact O-N 3.33Å; Q85-Q87 PolarHBondContact O-NE2 2.85Å; Q85-Q87 VanDerWaalsContact O-NE2 3.17Å
86P81.9Confident84.7Confident8 Ų875 Ų755%0.05238%0.383CS..PPolyproline II helixtrans-59.5131.7172.3-26.137.7000111.2D84 D90 T95D84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-D90 WeakPolarHBondContact CA-OD2 3.33Å; P86-T95 HydrophobicContact CB-CG2 3.75Å; P86-T95 HydrophobicContact CG-CG2 4.26Å
87Q83.4Confident84.7Confident111 Ų11177.8 Ų77.852%0.51940%0.403SS..PPolyproline II helixtrans-94.5161172.9-57.9-56.4-47.100110.8Q85 Y89 D90Q85-Q87 PolarHBondContact O-N 3.33Å; Q85-Q87 PolarHBondContact O-NE2 2.85Å; Q85-Q87 VanDerWaalsContact O-NE2 3.17Å; Q87-Y89 PolarHBondContact O-N 3.27Å; Q87-Y89 VanDerWaalsContact O-N 3.11Å; Q87-D90 PolarHBondContact N-OD2 3.37Å; Q87-D90 WeakPolarHBondContact O-CB 3.18Å; Q87-D90 PolarHBondContact O-N 3.48Å
88E75.3Confident84.9Confident136 Ų13678.8 Ų78.864%0.63641%0.406SS*.THydrogen-bonded Turntrans-60.5-21.6179.5-64.9178.3-162.500113.8H66H66-E88 IonicContact CE1-OE1 3.41Å; H66-E88 PolarHBondContact CE1-OE1 2.72Å; H66-E88 IonicContact ND1-OE1 3.72Å; H66-E88 IonicContact NE2-OE1 3.46Å
89Y78.4Confident85.2Confident215 Ų21577.4 Ų77.484%0.84340%0.4SS*.THydrogen-bonded Turntrans-96.7-2.6179.2-51.9-70.3000113.9Q87Q87-Y89 PolarHBondContact O-N 3.27Å; Q87-Y89 VanDerWaalsContact O-N 3.11Å
90D86.4Confident85.5Confident75 Ų7577.8 Ų77.840%0.40140%0.402SS..SBendtrans-72.3147.6177.1-71.7-23.5000110.7P86 Q87 P92 T95P86-D90 WeakPolarHBondContact CA-OD2 3.33Å; Q87-D90 PolarHBondContact N-OD2 3.37Å; Q87-D90 WeakPolarHBondContact O-CB 3.18Å; Q87-D90 PolarHBondContact O-N 3.48Å; D90-P92 VanDerWaalsContact O-CD 3.3Å; D90-P92 WeakPolarHBondContact O-CD 3.24Å; D90-T95 HydrophobicContact CB-CG2 3.54Å
91D88.1Confident85.8Confident122 Ų12274.9 Ų74.965%0.65239%0.386SS*.  trans-58.5121.5178.7-77.3-45.3000110.9N93 A94 T95D91-N93 PolarHBondContact O-N 3.38Å; D91-N93 VanDerWaalsContact O-N 3.16Å; D91-A94 HydrophobicContact CB-CB 3.85Å; D91-A94 PolarHBondContact O-N 3.44Å; D91-A94 VanDerWaalsContact O-N 3.07Å; D91-T95 WeakPolarHBondContact O-CG2 3.21Å; D91-T95 PolarHBondContact O-N 2.88Å; D91-T95 PolarHBondContact O-OG1 3.38Å
92P88.1Confident86.4Confident43 Ų4373.8 Ų73.828%0.27938%0.379SS..Hα-helixtrans-58-35.6-176.8-28.735.4000113.4F65 D90 T95 I96F65-P92 HydrophobicContact CE1-CB 3.81Å; F65-P92 HydrophobicContact CE1-CG 4.28Å; F65-P92 HydrophobicContact CZ-CB 3.77Å; D90-P92 VanDerWaalsContact O-CD 3.3Å; D90-P92 WeakPolarHBondContact O-CD 3.24Å; P92-T95 WeakPolarHBondContact CA-OG1 3.48Å; P92-T95 PolarHBondContact O-OG1 3.09Å; P92-I96 WeakPolarHBondContact O-CB 3.45Å; P92-I96 VanDerWaalsContact O-CD1 3.28Å; P92-I96 WeakPolarHBondContact O-CD1 3.35Å; P92-I96 WeakPolarHBondContact O-CG1 3.24Å; P92-I96 PolarHBondContact O-N 3.1Å
93N90.4Very high87Confident91 Ų9163.4 Ų63.449%0.48733%0.334SS..Hα-helixtrans-74.3-35.2-180-64.5-27.2000111.9D91 S97D91-N93 PolarHBondContact O-N 3.38Å; D91-N93 VanDerWaalsContact O-N 3.16Å; N93-S97 WeakPolarHBondContact O-CB 3.5Å; N93-S97 PolarHBondContact O-N 3.47Å; N93-S97 PolarHBondContact O-OG 3.03Å
94A90.8Very high87.4Confident51 Ų5168.7 Ų68.742%0.42135%0.352SS..Hα-helixtrans-68-46.2176.900000110.2D91 I96 S97 T98D91-A94 HydrophobicContact CB-CB 3.85Å; D91-A94 PolarHBondContact O-N 3.44Å; D91-A94 VanDerWaalsContact O-N 3.07Å; A94-I96 PolarHBondContact O-N 3.18Å; A94-S97 WeakPolarHBondContact O-CB 3.46Å; A94-S97 PolarHBondContact O-N 3.05Å; A94-S97 VanDerWaalsContact O-N 3.13Å; A94-T98 PolarHBondContact O-N 3.29Å; A94-T98 PolarHBondContact O-OG1 3.03Å; A94-T98 VanDerWaalsContact O-OG1 3.05Å
95T90.5Very high88Confident11 Ų1166.4 Ų66.47%0.06734%0.344CS..Hα-helixtrans-62.7-42.7177.555.20000112.3P86 D90 D91 P92 S97 T98 I99P86-T95 HydrophobicContact CB-CG2 3.75Å; P86-T95 HydrophobicContact CG-CG2 4.26Å; D90-T95 HydrophobicContact CB-CG2 3.54Å; D91-T95 WeakPolarHBondContact O-CG2 3.21Å; D91-T95 PolarHBondContact O-N 2.88Å; D91-T95 PolarHBondContact O-OG1 3.38Å; P92-T95 WeakPolarHBondContact CA-OG1 3.48Å; P92-T95 PolarHBondContact O-OG1 3.09Å; T95-S97 VanDerWaalsContact C-N 3.32Å; T95-S97 PolarHBondContact O-N 3.41Å; T95-T98 PolarHBondContact O-N 3.36Å; T95-I99 VanDerWaalsContact O-CG1 3.31Å; T95-I99 WeakPolarHBondContact O-CG1 3.37Å; T95-I99 PolarHBondContact O-N 3.44Å
96I92.7Very high88.3Confident0 Ų066.4 Ų66.40%035%0.345CS..Hα-helixtrans-59.2-44172.5-70.3164.1000110.7F65 P92 A94 I99 L100 P114 L117 K118F65-I96 HydrophobicContact CE2-CD1 3.86Å; F65-I96 HydrophobicContact CE2-CG1 3.83Å; F65-I96 HydrophobicContact CZ-CD1 4.24Å; F65-I96 HydrophobicContact CZ-CG1 4.09Å; P92-I96 WeakPolarHBondContact O-CB 3.45Å; P92-I96 VanDerWaalsContact O-CD1 3.28Å; P92-I96 WeakPolarHBondContact O-CD1 3.35Å; P92-I96 WeakPolarHBondContact O-CG1 3.24Å; P92-I96 PolarHBondContact O-N 3.1Å; A94-I96 PolarHBondContact O-N 3.18Å; I96-I99 PolarHBondContact O-N 3.11Å; I96-L100 HydrophobicContact CG2-CD1 3.98Å; I96-L100 HydrophobicContact CG2-CG 4.2Å; I96-L100 WeakPolarHBondContact O-CB 3.46Å; I96-L100 WeakPolarHBondContact O-CG 3.41Å; I96-L100 PolarHBondContact O-N 3Å; I96-P114 HydrophobicContact CG2-CB 3.96Å; I96-L117 HydrophobicContact CD1-CB 4.13Å; I96-L117 HydrophobicContact CG1-CB 4.23Å; I96-L117 HydrophobicContact CG2-CB 4.33Å; I96-L117 HydrophobicContact CG2-CD1 3.87Å; I96-K118 HydrophobicContact CD1-CB 4.24Å
97S91.2Very high88.5Confident59 Ų5969.1 Ų69.141%0.41338%0.375SS..Hα-helixtrans-62.6-45.5179.6-57.10000111.4N93 A94 T95 I99 L100 D101N93-S97 WeakPolarHBondContact O-CB 3.5Å; N93-S97 PolarHBondContact O-N 3.47Å; N93-S97 PolarHBondContact O-OG 3.03Å; A94-S97 WeakPolarHBondContact O-CB 3.46Å; A94-S97 PolarHBondContact O-N 3.05Å; A94-S97 VanDerWaalsContact O-N 3.13Å; T95-S97 VanDerWaalsContact C-N 3.32Å; T95-S97 PolarHBondContact O-N 3.41Å; S97-I99 VanDerWaalsContact C-N 3.32Å; S97-I99 PolarHBondContact O-N 3.2Å; S97-L100 PolarHBondContact O-N 3.01Å; S97-D101 WeakPolarHBondContact O-CB 3.48Å; S97-D101 VanDerWaalsContact O-CG 3.3Å; S97-D101 PolarHBondContact O-N 2.67Å
98T91.2Very high88.8Confident75 Ų7566.5 Ų66.546%0.4636%0.36SS..Hα-helixtrans-59.4-41.5175.4-520000112.2I83 A94 T95 A102I83-T98 HydrophobicContact CD1-CG2 3.71Å; I83-T98 HydrophobicContact CG1-CG2 3.92Å; A94-T98 PolarHBondContact O-N 3.29Å; A94-T98 PolarHBondContact O-OG1 3.03Å; A94-T98 VanDerWaalsContact O-OG1 3.05Å; T95-T98 PolarHBondContact O-N 3.36Å; T98-A102 PolarHBondContact O-N 2.87Å; T98-A102 VanDerWaalsContact O-N 3.08Å
99I91.8Very high89.3Confident1 Ų165.4 Ų65.41%0.00536%0.363CS..Hα-helixtrans-65.6-45.5176.5-68.3165.4000110.5F68 T69 A72 I76 I83 T95 I96 S97 D101 A102 V103 V128 L132F68-I99 HydrophobicContact CE1-CD1 4.24Å; T69-I99 HydrophobicContact CG2-CD1 4Å; A72-I99 HydrophobicContact CB-CD1 3.93Å; A72-I99 HydrophobicContact CB-CG1 4.25Å; A72-I99 HydrophobicContact CB-CG2 4.09Å; I76-I99 HydrophobicContact CD1-CG1 4.4Å; I76-I99 HydrophobicContact CD1-CG2 4.39Å; I83-I99 HydrophobicContact CD1-CG1 4.37Å; T95-I99 VanDerWaalsContact O-CG1 3.31Å; T95-I99 WeakPolarHBondContact O-CG1 3.37Å; T95-I99 PolarHBondContact O-N 3.44Å; I96-I99 PolarHBondContact O-N 3.11Å; S97-I99 VanDerWaalsContact C-N 3.32Å; S97-I99 PolarHBondContact O-N 3.2Å; I99-D101 VanDerWaalsContact C-N 3.33Å; I99-D101 PolarHBondContact O-N 2.95Å; I99-A102 PolarHBondContact O-N 3.32Å; I99-V103 HydrophobicContact CG2-CG2 4.49Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.36Å; I99-V103 PolarHBondContact O-N 3.02Å; I99-V128 HydrophobicContact CG2-CG1 4.13Å; I99-L132 HydrophobicContact CG2-CD1 4.49Å
100L91.8Very high89.6Confident11 Ų1156.9 Ų56.96%0.05833%0.333CS..Hα-helixtrans-66.6-34.4179.8-70.5-175.2000112.8I96 S97 V103 R104 V110 P114 L117I96-L100 HydrophobicContact CG2-CD1 3.98Å; I96-L100 HydrophobicContact CG2-CG 4.2Å; I96-L100 WeakPolarHBondContact O-CB 3.46Å; I96-L100 WeakPolarHBondContact O-CG 3.41Å; I96-L100 PolarHBondContact O-N 3Å; S97-L100 PolarHBondContact O-N 3.01Å; L100-V103 PolarHBondContact O-N 3.44Å; L100-R104 PolarHBondContact O-N 3.21Å; L100-V110 HydrophobicContact CD1-CG2 4.37Å; L100-V110 HydrophobicContact CD2-CB 4.29Å; L100-V110 HydrophobicContact CD2-CG1 3.96Å; L100-V110 HydrophobicContact CD2-CG2 3.69Å; L100-V110 HydrophobicContact CG-CG2 4.45Å; L100-P114 HydrophobicContact CD1-CB 4.01Å; L100-P114 HydrophobicContact CD1-CG 4.01Å; L100-L117 HydrophobicContact CD1-CD1 4.43Å; L100-L117 HydrophobicContact CD2-CD1 3.86Å; L100-L117 HydrophobicContact CG-CD1 4.26Å
101D90.9Very high89.6Confident83 Ų8361.9 Ų61.944%0.44436%0.355SS..Hα-helixtrans-66-41.2173.3-71.7-18.5000111.1S97 I99 V103 R104 T105S97-D101 WeakPolarHBondContact O-CB 3.48Å; S97-D101 VanDerWaalsContact O-CG 3.3Å; S97-D101 PolarHBondContact O-N 2.67Å; I99-D101 VanDerWaalsContact C-N 3.33Å; I99-D101 PolarHBondContact O-N 2.95Å; D101-V103 PolarHBondContact O-N 3.28Å; D101-R104 WeakPolarHBondContact O-CB 3.43Å; D101-R104 PolarHBondContact O-N 2.9Å; D101-R104 IonicContact OD1-CZ 2.68Å; D101-R104 IonicContact OD1-NH1 3.86Å; D101-R104 PolarHBondContact OD1-NH1 3.44Å; D101-R104 IonicContact OD1-NH2 3.73Å; D101-T105 WeakPolarHBondContact O-CG2 3.44Å; D101-T105 PolarHBondContact O-N 3.29Å
102A90Very high89.6Confident12 Ų1257.7 Ų57.710%0.09933%0.331CS..Hα-helixtrans-65.2-35.7173.800000113.1I76 T98 I99 R104 T105 L106I76-A102 HydrophobicContact CD1-CB 3.64Å; I76-A102 HydrophobicContact CG1-CB 4.01Å; I76-A102 HydrophobicContact CG2-CB 3.95Å; T98-A102 PolarHBondContact O-N 2.87Å; T98-A102 VanDerWaalsContact O-N 3.08Å; I99-A102 PolarHBondContact O-N 3.32Å; A102-R104 VanDerWaalsContact C-N 3.3Å; A102-R104 PolarHBondContact O-N 3.09Å; A102-T105 WeakPolarHBondContact CA-OG1 3.46Å; A102-T105 PolarHBondContact O-N 2.89Å; A102-T105 PolarHBondContact O-OG1 2.98Å; A102-L106 VanDerWaalsContact O-CG 3.3Å; A102-L106 WeakPolarHBondContact O-CG 3.5Å; A102-L106 PolarHBondContact O-N 3.44Å
103V91.8Very high89.6Confident0 Ų059.3 Ų59.30%034%0.341CS..Hα-helixtrans-63.7-39.3172.8173.40000110.5I99 L100 D101 L106 G107 Y108 V110 V128 M131 L132I99-V103 HydrophobicContact CG2-CG2 4.49Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.36Å; I99-V103 PolarHBondContact O-N 3.02Å; L100-V103 PolarHBondContact O-N 3.44Å; D101-V103 PolarHBondContact O-N 3.28Å; V103-L106 PolarHBondContact O-N 3.04Å; V103-G107 PolarHBondContact O-N 3.26Å; V103-Y108 PolarHBondContact O-N 3.06Å; V103-Y108 VanDerWaalsContact O-N 3.15Å; V103-V110 HydrophobicContact CG1-CG1 4.21Å; V103-V128 HydrophobicContact CG2-CG1 4.01Å; V103-M131 HydrophobicContact CG1-CE 4.44Å; V103-L132 HydrophobicContact CG2-CD1 4.31Å; V103-L132 HydrophobicContact CG2-CD2 3.69Å; V103-L132 HydrophobicContact CG2-CG 3.98Å
104R91.5Very high89.5Confident142 Ų14258.2 Ų58.254%0.53634%0.339SS..Hα-helixtrans-69.2-37.9177.7-163.2-177.5-59105.93.1112.7L100 D101 A102 L106 G107 Y108L100-R104 PolarHBondContact O-N 3.21Å; D101-R104 WeakPolarHBondContact O-CB 3.43Å; D101-R104 PolarHBondContact O-N 2.9Å; D101-R104 IonicContact OD1-CZ 2.68Å; D101-R104 IonicContact OD1-NH1 3.86Å; D101-R104 PolarHBondContact OD1-NH1 3.44Å; D101-R104 IonicContact OD1-NH2 3.73Å; A102-R104 VanDerWaalsContact C-N 3.3Å; A102-R104 PolarHBondContact O-N 3.09Å; R104-L106 PolarHBondContact O-N 2.83Å; R104-G107 PolarHBondContact O-N 2.88Å; R104-Y108 WeakPolarHBondContact CA-O 3.39Å
105T89.7Confident89.4Confident107 Ų10761.4 Ų61.466%0.65635%0.348SS*.Hα-helixtrans-66.7-27.5175.455.80000112.6D101 A102 G107D101-T105 WeakPolarHBondContact O-CG2 3.44Å; D101-T105 PolarHBondContact O-N 3.29Å; A102-T105 WeakPolarHBondContact CA-OG1 3.46Å; A102-T105 PolarHBondContact O-N 2.89Å; A102-T105 PolarHBondContact O-OG1 2.98Å; T105-G107 PolarHBondContact O-N 3.22Å
106L88.4Confident89.3Confident41 Ų4165.2 Ų65.222%0.21536%0.364CS..THydrogen-bonded Turntrans-78.3-4.1172.7-66.9169.3000113.4A79 A102 V103 R104 Y108 L132 A135A79-L106 HydrophobicContact CB-CD1 4.05Å; A79-L106 HydrophobicContact CB-CD2 3.89Å; A102-L106 VanDerWaalsContact O-CG 3.3Å; A102-L106 WeakPolarHBondContact O-CG 3.5Å; A102-L106 PolarHBondContact O-N 3.44Å; V103-L106 PolarHBondContact O-N 3.04Å; R104-L106 PolarHBondContact O-N 2.83Å; L106-Y108 HydrophobicContact CB-CD2 3.99Å; L106-Y108 HydrophobicContact CB-CE2 4.27Å; L106-L132 HydrophobicContact CD1-CD2 3.61Å; L106-A135 HydrophobicContact CB-CB 4.43Å; L106-A135 HydrophobicContact CD1-CB 3.92Å; L106-A135 HydrophobicContact CD2-CB 4.25Å; L106-A135 HydrophobicContact CG-CB 4.44Å
107G86.6Confident89.2Confident66 Ų6665.2 Ų65.268%0.6836%0.364SS*.THydrogen-bonded Turntrans94.38.3175.200000115.3V103 R104 T105V103-G107 PolarHBondContact O-N 3.26Å; R104-G107 PolarHBondContact O-N 2.88Å; T105-G107 PolarHBondContact O-N 3.22Å
108Y89.3Confident89.1Confident55 Ų5567.3 Ų67.322%0.21637%0.366CS..  trans-98.3143.3177.6-61.6-87000111.4V103 R104 L106 M131 A135V103-Y108 PolarHBondContact O-N 3.06Å; V103-Y108 VanDerWaalsContact O-N 3.15Å; R104-Y108 WeakPolarHBondContact CA-O 3.39Å; L106-Y108 HydrophobicContact CB-CD2 3.99Å; L106-Y108 HydrophobicContact CB-CE2 4.27Å; Y108-M131 HydrophobicContact CD1-CB 3.99Å; Y108-M131 HydrophobicContact CD1-CG 3.8Å; Y108-M131 HydrophobicContact CD1-SD 3.89Å; Y108-M131 HydrophobicContact CD2-CB 4.33Å; Y108-M131 HydrophobicContact CE1-CB 4.3Å; Y108-M131 HydrophobicContact CE1-CG 4.25Å; Y108-M131 HydrophobicContact CG-CB 4Å; Y108-M131 HydrophobicContact CG-CG 4.19Å; Y108-M131 HydrophobicContact CG-SD 4.07Å; Y108-A135 HydrophobicContact CE2-CB 3.94Å
109T86.4Confident89Confident113 Ų11366 Ų6669%0.69336%0.359SS*.  trans-108.8134.9175.553.60000110.5
110V84.3Confident88.7Confident36 Ų3666 Ų6622%0.21836%0.359CS..  trans-104.5126.2176.1-75.90000110.6L100 V103 F112 V128 M131L100-V110 HydrophobicContact CD1-CG2 4.37Å; L100-V110 HydrophobicContact CD2-CB 4.29Å; L100-V110 HydrophobicContact CD2-CG1 3.96Å; L100-V110 HydrophobicContact CD2-CG2 3.69Å; L100-V110 HydrophobicContact CG-CG2 4.45Å; V103-V110 HydrophobicContact CG1-CG1 4.21Å; V110-F112 HydrophobicContact CB-CD1 4.41Å; V110-F112 HydrophobicContact CB-CE1 3.78Å; V110-F112 HydrophobicContact CB-CZ 3.82Å; V110-F112 HydrophobicContact CG1-CE1 3.81Å; V110-F112 HydrophobicContact CG1-CZ 3.71Å; V110-V128 HydrophobicContact CG1-CG2 4.17Å; V110-M131 HydrophobicContact CG1-CE 3.8Å
111E86.3Confident88.5Confident181 Ų18166.4 Ų66.485%0.84636%0.363SS*.  trans-112.261.7-179.6-64.6-159.9163.100112.1
112F88.4Confident88.4Confident34 Ų3463.5 Ų63.515%0.14935%0.352CS..SBendtrans-156.8159173.150.7-95.3000111.3V110 L117 Y124 V128V110-F112 HydrophobicContact CB-CD1 4.41Å; V110-F112 HydrophobicContact CB-CE1 3.78Å; V110-F112 HydrophobicContact CB-CZ 3.82Å; V110-F112 HydrophobicContact CG1-CE1 3.81Å; V110-F112 HydrophobicContact CG1-CZ 3.71Å; F112-L117 HydrophobicContact CE2-CD1 3.84Å; F112-L117 HydrophobicContact CE2-CD2 3.86Å; F112-L117 HydrophobicContact CE2-CG 3.74Å; F112-L117 HydrophobicContact CZ-CD1 4.39Å; F112-L117 HydrophobicContact CZ-CD2 4.22Å; F112-L117 HydrophobicContact CZ-CG 4.49Å; F112-Y124 HydrophobicContact CB-CD1 3.71Å; F112-Y124 HydrophobicContact CB-CE1 3.68Å; F112-Y124 HydrophobicContact CB-CG 4.4Å; F112-Y124 AromaticContact CD1-CD1 3.4Å; F112-Y124 HydrophobicContact CD1-CD1 3.4Å; F112-Y124 HydrophobicContact CD1-CE1 4.05Å; F112-Y124 HydrophobicContact CD1-CG 4.22Å; F112-Y124 HydrophobicContact CD2-CD1 4.1Å; F112-Y124 HydrophobicContact CD2-CG 4.2Å; F112-Y124 HydrophobicContact CE1-CD1 4.02Å; F112-Y124 AromaticContact CG-CD1 3.44Å; F112-Y124 HydrophobicContact CG-CD1 3.44Å; F112-Y124 VanDerWaalsContact CG-CD1 3.44Å; F112-Y124 AromaticContact CG-CE1 3.97Å; F112-Y124 HydrophobicContact CG-CE1 3.97Å; F112-Y124 HydrophobicContact CG-CG 4Å; F112-V128 HydrophobicContact CE1-CG2 4.44Å; F112-V128 HydrophobicContact CZ-CG2 3.64Å
113P88Confident88.4Confident76 Ų7666.6 Ų66.649%0.49437%0.365SS..  trans-62.3129.9177-2233.4000111.6L115 K116P113-L115 PolarHBondContact O-N 3.21Å; P113-K116 WeakPolarHBondContact O-CB 3.46Å; P113-K116 PolarHBondContact O-N 3.44Å
114P87.2Confident88.4Confident68 Ų6870.3 Ų70.344%0.44238%0.38SS..G310 helixtrans-55.5-29.7-178.4-2834.7000114I96 L100 K116 L117I96-P114 HydrophobicContact CG2-CB 3.96Å; L100-P114 HydrophobicContact CD1-CB 4.01Å; L100-P114 HydrophobicContact CD1-CG 4.01Å; P114-K116 PolarHBondContact O-N 3.4Å; P114-K116 VanDerWaalsContact O-N 3.13Å; P114-L117 PolarHBondContact O-N 3.35Å
115L88.7Confident88.5Confident118 Ų11863.6 Ų63.662%0.61835%0.354SS*.G310 helixtrans-60.7-23.5179.7-161.867.2000113P113 L117 K118P113-L115 PolarHBondContact O-N 3.21Å; L115-L117 PolarHBondContact O-N 2.94Å; L115-K118 HydrophobicContact CD1-CD 4.28Å; L115-K118 VanDerWaalsContact O-CB 3.28Å; L115-K118 WeakPolarHBondContact O-CB 3.49Å; L115-K118 PolarHBondContact O-N 3.18Å
116K89Confident88.7Confident92 Ų9258.5 Ų58.540%0.432%0.323SS..G310 helixtrans-69.7-19.2176.8-65.7-159.7-178.2-174.20113.5P113 P114 K118 S119 Y124P113-K116 WeakPolarHBondContact O-CB 3.46Å; P113-K116 PolarHBondContact O-N 3.44Å; P114-K116 PolarHBondContact O-N 3.4Å; P114-K116 VanDerWaalsContact O-N 3.13Å; K116-K118 VanDerWaalsContact C-N 3.28Å; K116-S119 PolarHBondContact O-OG 3.45Å; K116-S119 VanDerWaalsContact O-OG 3.05Å; K116-Y124 HydrophobicContact CB-CD2 3.93Å; K116-Y124 HydrophobicContact CB-CE2 4.4Å; K116-Y124 HydrophobicContact CD-CD2 3.62Å; K116-Y124 HydrophobicContact CD-CE2 3.2Å; K116-Y124 HydrophobicContact CG-CD2 4.45Å; K116-Y124 HydrophobicContact CG-CE2 4.43Å; K116-Y124 PolarHBondContact NZ-OH 3.01Å
117L89.9Confident88.9Confident0 Ų058.8 Ų58.80%033%0.325CS..G310 helixtrans-78.4-14.9174.9-64.4175.7000112.7F68 I96 L100 F112 P114 L115 S119 G120 C125 V128F68-L117 HydrophobicContact CE1-CB 4.5Å; F68-L117 HydrophobicContact CZ-CD2 4.18Å; I96-L117 HydrophobicContact CD1-CB 4.13Å; I96-L117 HydrophobicContact CG1-CB 4.23Å; I96-L117 HydrophobicContact CG2-CB 4.33Å; I96-L117 HydrophobicContact CG2-CD1 3.87Å; L100-L117 HydrophobicContact CD1-CD1 4.43Å; L100-L117 HydrophobicContact CD2-CD1 3.86Å; L100-L117 HydrophobicContact CG-CD1 4.26Å; F112-L117 HydrophobicContact CE2-CD1 3.84Å; F112-L117 HydrophobicContact CE2-CD2 3.86Å; F112-L117 HydrophobicContact CE2-CG 3.74Å; F112-L117 HydrophobicContact CZ-CD1 4.39Å; F112-L117 HydrophobicContact CZ-CD2 4.22Å; F112-L117 HydrophobicContact CZ-CG 4.49Å; P114-L117 PolarHBondContact O-N 3.35Å; L115-L117 PolarHBondContact O-N 2.94Å; L117-S119 PolarHBondContact O-N 3.03Å; L117-G120 PolarHBondContact O-N 3.49Å; L117-G120 VanDerWaalsContact O-N 3.11Å; L117-C125 HydrophobicContact CD2-CB 4.36Å; L117-V128 HydrophobicContact CD1-CG2 4.33Å; L117-V128 HydrophobicContact CD2-CG2 4.13Å
118K89.5Confident89.2Confident103 Ų10355.6 Ų55.645%0.44829%0.292SS..G310 helixtrans-68.1-19.5-179.3-166.4175.3178.7178.70113.1I96 L115 K116 G120I96-K118 HydrophobicContact CD1-CB 4.24Å; L115-K118 HydrophobicContact CD1-CD 4.28Å; L115-K118 VanDerWaalsContact O-CB 3.28Å; L115-K118 WeakPolarHBondContact O-CB 3.49Å; L115-K118 PolarHBondContact O-N 3.18Å; K116-K118 VanDerWaalsContact C-N 3.28Å; K118-G120 PolarHBondContact O-N 2.84Å
119S88.9Confident89.5Confident47 Ų4753 Ų5333%0.32928%0.282SS..G310 helixtrans-66.3-22.217354.70000112.6K116 L117 C121K116-S119 PolarHBondContact O-OG 3.45Å; K116-S119 VanDerWaalsContact O-OG 3.05Å; L117-S119 PolarHBondContact O-N 3.03Å; S119-C121 PolarHBondContact O-N 3.5Å; S119-C121 PolarHBondContact OG-O 3.38Å
120G85.8Confident89.8Confident0 Ų048.2 Ų48.20%025%0.252CS..SBendtrans70.8-10.2-174.500000114.3F55 L117 K118F55-G120 VanDerWaalsContact CD1-O 3.3Å; F55-G120 WeakPolarHBondContact CD1-O 3.26Å; L117-G120 PolarHBondContact O-N 3.49Å; L117-G120 VanDerWaalsContact O-N 3.11Å; K118-G120 PolarHBondContact O-N 2.84Å
121C87.2Confident90.3Very high20 Ų2048.2 Ų48.214%0.13525%0.25CS..  trans-135.4155-179.166.50000111.9F55 S119F55-C121 CarbonylContact O-C 3.6Å; F55-C121 WeakPolarHBondContact O-CA 3.33Å; F55-C121 WeakPolarHBondContact O-CB 3.46Å; S119-C121 PolarHBondContact O-N 3.5Å; S119-C121 PolarHBondContact OG-O 3.38Å
122G89.7Confident90.6Very high22 Ų2239.6 Ų39.623%0.22721%0.21CC..SBendtrans112.7178.5177.200000114F55 Y124 C125 I126F55-G122 PolarHBondContact O-N 2.93Å; G122-Y124 VanDerWaalsContact C-N 3.33Å; G122-Y124 PolarHBondContact O-N 3.15Å; G122-C125 PolarHBondContact O-N 3.23Å; G122-I126 WeakPolarHBondContact O-CG1 3.15Å; G122-I126 PolarHBondContact O-N 3.44Å; G122-I126 VanDerWaalsContact O-N 3.11Å
123E89.9Confident90.8Very high78 Ų7838 Ų3836%0.36420%0.203SC..Hα-helixtrans-55.8-43.6-171.7-160.2-169.5164.500113V21 Q24 C125 I126 N127V21-E123 HydrophobicContact CG2-CB 4.1Å; V21-E123 HydrophobicContact CG2-CG 4.26Å; Q24-E123 PolarHBondContact NE2-OE1 2.74Å; E123-C125 PolarHBondContact O-N 2.92Å; E123-I126 PolarHBondContact O-N 3.4Å; E123-N127 VanDerWaalsContact O-CB 3.31Å; E123-N127 WeakPolarHBondContact O-CB 3.35Å; E123-N127 PolarHBondContact O-N 3.02Å; E123-N127 PolarHBondContact O-ND2 2.96Å
124Y92.2Very high90.9Very high78 Ų7836.6 Ų36.631%0.30619%0.191SC..Hα-helixtrans-64.5-40.7-178.6-54.9-66.1000112.7F112 K116 G122 N127 V128F112-Y124 HydrophobicContact CB-CD1 3.71Å; F112-Y124 HydrophobicContact CB-CE1 3.68Å; F112-Y124 HydrophobicContact CB-CG 4.4Å; F112-Y124 AromaticContact CD1-CD1 3.4Å; F112-Y124 HydrophobicContact CD1-CD1 3.4Å; F112-Y124 HydrophobicContact CD1-CE1 4.05Å; F112-Y124 HydrophobicContact CD1-CG 4.22Å; F112-Y124 HydrophobicContact CD2-CD1 4.1Å; F112-Y124 HydrophobicContact CD2-CG 4.2Å; F112-Y124 HydrophobicContact CE1-CD1 4.02Å; F112-Y124 AromaticContact CG-CD1 3.44Å; F112-Y124 HydrophobicContact CG-CD1 3.44Å; F112-Y124 VanDerWaalsContact CG-CD1 3.44Å; F112-Y124 AromaticContact CG-CE1 3.97Å; F112-Y124 HydrophobicContact CG-CE1 3.97Å; F112-Y124 HydrophobicContact CG-CG 4Å; K116-Y124 HydrophobicContact CB-CD2 3.93Å; K116-Y124 HydrophobicContact CB-CE2 4.4Å; K116-Y124 HydrophobicContact CD-CD2 3.62Å; K116-Y124 HydrophobicContact CD-CE2 3.2Å; K116-Y124 HydrophobicContact CG-CD2 4.45Å; K116-Y124 HydrophobicContact CG-CE2 4.43Å; K116-Y124 PolarHBondContact NZ-OH 3.01Å; G122-Y124 VanDerWaalsContact C-N 3.33Å; G122-Y124 PolarHBondContact O-N 3.15Å; Y124-N127 PolarHBondContact O-N 3.37Å; Y124-V128 WeakPolarHBondContact O-CG2 3.23Å; Y124-V128 PolarHBondContact O-N 2.82Å; Y124-V128 VanDerWaalsContact O-N 3.07Å
125C92.3Very high91.1Very high1 Ų133.6 Ų33.61%0.00717%0.172CC..Hα-helixtrans-65.6-44.4176.3-62.90000110.8F68 L117 G122 E123 V128 L129F68-C125 HydrophobicContact CD2-CB 3.89Å; F68-C125 HydrophobicContact CE2-CB 3.86Å; L117-C125 HydrophobicContact CD2-CB 4.36Å; G122-C125 PolarHBondContact O-N 3.23Å; E123-C125 PolarHBondContact O-N 2.92Å; C125-V128 PolarHBondContact O-N 3.33Å; C125-L129 WeakPolarHBondContact O-CG 3.29Å; C125-L129 PolarHBondContact O-N 2.97Å
126I93.9Very high91.1Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-63.9-42.3178.4-67.1161.2000110.7V21 Q24 M25 L28 F55 A56 G122 E123 L129 N130V21-I126 HydrophobicContact CG1-CD1 3.53Å; Q24-I126 HydrophobicContact CB-CG2 3.78Å; M25-I126 HydrophobicContact CB-CD1 4.08Å; M25-I126 HydrophobicContact SD-CD1 4.47Å; M25-I126 HydrophobicContact SD-CG1 4.21Å; L28-I126 HydrophobicContact CD2-CG2 4.43Å; F55-I126 HydrophobicContact CB-CD1 4.22Å; F55-I126 HydrophobicContact CB-CG1 3.77Å; A56-I126 HydrophobicContact CB-CD1 4.29Å; G122-I126 WeakPolarHBondContact O-CG1 3.15Å; G122-I126 PolarHBondContact O-N 3.44Å; G122-I126 VanDerWaalsContact O-N 3.11Å; E123-I126 PolarHBondContact O-N 3.4Å; I126-L129 PolarHBondContact O-N 3.06Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.36Å; I126-N130 WeakPolarHBondContact O-CB 3.35Å; I126-N130 PolarHBondContact O-N 3.45Å; I126-N130 PolarHBondContact O-ND2 3.01Å
127N92.9Very high91.1Very high46 Ų4625.1 Ų25.125%0.24613%0.132CC..Hα-helixtrans-61.9-44.5177.5-75.6-18.3000111.7Q24 E123 Y124 N130 M131Q24-N127 PolarHBondContact OE1-OD1 3.46Å; Q24-N127 VanDerWaalsContact OE1-OD1 3.05Å; E123-N127 VanDerWaalsContact O-CB 3.31Å; E123-N127 WeakPolarHBondContact O-CB 3.35Å; E123-N127 PolarHBondContact O-N 3.02Å; E123-N127 PolarHBondContact O-ND2 2.96Å; Y124-N127 PolarHBondContact O-N 3.37Å; N127-N130 PolarHBondContact O-N 3.34Å; N127-M131 WeakPolarHBondContact O-CE 3.46Å; N127-M131 WeakPolarHBondContact O-CG 3.31Å; N127-M131 PolarHBondContact O-N 3.46Å
128V93.7Very high90.9Very high0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-60.2-47.3174.9170.90000111.4F68 I99 V103 V110 F112 L117 Y124 C125 N130 M131 L132F68-V128 HydrophobicContact CE2-CB 4.41Å; F68-V128 HydrophobicContact CE2-CG1 4.36Å; F68-V128 HydrophobicContact CZ-CB 4.42Å; F68-V128 HydrophobicContact CZ-CG1 4.12Å; I99-V128 HydrophobicContact CG2-CG1 4.13Å; V103-V128 HydrophobicContact CG2-CG1 4.01Å; V110-V128 HydrophobicContact CG1-CG2 4.17Å; F112-V128 HydrophobicContact CE1-CG2 4.44Å; F112-V128 HydrophobicContact CZ-CG2 3.64Å; L117-V128 HydrophobicContact CD1-CG2 4.33Å; L117-V128 HydrophobicContact CD2-CG2 4.13Å; Y124-V128 WeakPolarHBondContact O-CG2 3.23Å; Y124-V128 PolarHBondContact O-N 2.82Å; Y124-V128 VanDerWaalsContact O-N 3.07Å; C125-V128 PolarHBondContact O-N 3.33Å; V128-N130 VanDerWaalsContact C-N 3.34Å; V128-N130 PolarHBondContact O-N 2.87Å; V128-M131 HydrophobicContact CG2-CE 4.2Å; V128-M131 PolarHBondContact O-N 3.04Å; V128-L132 HydrophobicContact CG1-CD1 4.06Å; V128-L132 WeakPolarHBondContact O-CG 3.36Å; V128-L132 PolarHBondContact O-N 3.3Å
129L94.7Very high90.6Very high0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-64.3-38.3178.1-69.5172.8000112.2L28 F55 F68 L71 A72 L75 C125 I126 L132 A133L28-L129 HydrophobicContact CD1-CB 3.92Å; L28-L129 HydrophobicContact CD2-CB 3.61Å; L28-L129 HydrophobicContact CD2-CD1 3.88Å; L28-L129 HydrophobicContact CD2-CG 4.42Å; L28-L129 HydrophobicContact CG-CB 4.44Å; F55-L129 HydrophobicContact CD2-CD1 3.94Å; F55-L129 HydrophobicContact CE2-CD1 3.79Å; F55-L129 HydrophobicContact CG-CD1 4.38Å; F55-L129 HydrophobicContact CZ-CD1 4.09Å; F68-L129 HydrophobicContact CD2-CD1 3.83Å; F68-L129 HydrophobicContact CD2-CD2 4.11Å; F68-L129 HydrophobicContact CD2-CG 3.88Å; F68-L129 HydrophobicContact CE2-CD1 4.26Å; F68-L129 HydrophobicContact CE2-CD2 4.14Å; F68-L129 HydrophobicContact CE2-CG 3.84Å; L71-L129 HydrophobicContact CB-CD2 4.24Å; L71-L129 HydrophobicContact CD2-CD1 3.84Å; L71-L129 HydrophobicContact CD2-CD2 3.93Å; L71-L129 HydrophobicContact CD2-CG 4.46Å; L71-L129 HydrophobicContact CG-CD2 4.01Å; A72-L129 HydrophobicContact CB-CD2 4.07Å; L75-L129 HydrophobicContact CD1-CB 4.45Å; L75-L129 HydrophobicContact CD1-CD2 3.9Å; C125-L129 WeakPolarHBondContact O-CG 3.29Å; C125-L129 PolarHBondContact O-N 2.97Å; I126-L129 PolarHBondContact O-N 3.06Å; L129-L132 PolarHBondContact O-N 3.21Å; L129-A133 VanDerWaalsContact O-CB 3.24Å; L129-A133 WeakPolarHBondContact O-CB 3.45Å; L129-A133 PolarHBondContact O-N 2.82Å
130N94Very high90.2Very high13 Ų1332.7 Ų32.77%0.0717%0.165CC..Hα-helixtrans-61.8-46.9175.2-94.6-50.3000111.3Q24 L28 K31 I126 N127 V128 L132 A133 D134Q24-N130 PolarHBondContact O-ND2 3.37Å; L28-N130 WeakPolarHBondContact CA-OD1 3.16Å; L28-N130 WeakPolarHBondContact CB-OD1 3.24Å; L28-N130 PolarHBondContact N-OD1 2.8Å; K31-N130 PolarHBondContact NZ-OD1 3.34Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.36Å; I126-N130 WeakPolarHBondContact O-CB 3.35Å; I126-N130 PolarHBondContact O-N 3.45Å; I126-N130 PolarHBondContact O-ND2 3.01Å; N127-N130 PolarHBondContact O-N 3.34Å; V128-N130 VanDerWaalsContact C-N 3.34Å; V128-N130 PolarHBondContact O-N 2.87Å; N130-L132 VanDerWaalsContact C-N 3.34Å; N130-L132 PolarHBondContact O-N 3.08Å; N130-A133 PolarHBondContact O-N 2.71Å; N130-D134 WeakPolarHBondContact O-CB 3.44Å; N130-D134 VanDerWaalsContact O-CG 3.25Å; N130-D134 PolarHBondContact O-N 3.42Å
131M93.2Very high89.7Confident35 Ų3538.5 Ų38.517%0.17220%0.197CC..Hα-helixtrans-60.1-43.8176.9-70.9-176.8-72.300111.7V103 Y108 V110 N127 V128 D134 A135V103-M131 HydrophobicContact CG1-CE 4.44Å; Y108-M131 HydrophobicContact CD1-CB 3.99Å; Y108-M131 HydrophobicContact CD1-CG 3.8Å; Y108-M131 HydrophobicContact CD1-SD 3.89Å; Y108-M131 HydrophobicContact CD2-CB 4.33Å; Y108-M131 HydrophobicContact CE1-CB 4.3Å; Y108-M131 HydrophobicContact CE1-CG 4.25Å; Y108-M131 HydrophobicContact CG-CB 4Å; Y108-M131 HydrophobicContact CG-CG 4.19Å; Y108-M131 HydrophobicContact CG-SD 4.07Å; V110-M131 HydrophobicContact CG1-CE 3.8Å; N127-M131 WeakPolarHBondContact O-CE 3.46Å; N127-M131 WeakPolarHBondContact O-CG 3.31Å; N127-M131 PolarHBondContact O-N 3.46Å; V128-M131 HydrophobicContact CG2-CE 4.2Å; V128-M131 PolarHBondContact O-N 3.04Å; M131-D134 PolarHBondContact O-N 2.78Å; M131-A135 PolarHBondContact O-N 2.74Å
132L92.8Very high89Confident0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-66.3-37.6176.2-68.8175.3000112.6A72 L75 I76 I99 V103 L106 V128 L129 N130 S136A72-L132 HydrophobicContact CB-CD1 3.89Å; L75-L132 HydrophobicContact CB-CB 3.79Å; L75-L132 HydrophobicContact CD1-CB 3.92Å; L75-L132 HydrophobicContact CG-CB 4.49Å; I76-L132 HydrophobicContact CD1-CD1 4.2Å; I76-L132 HydrophobicContact CD1-CD2 4.34Å; I76-L132 HydrophobicContact CG1-CD1 4Å; I76-L132 HydrophobicContact CG1-CD2 3.59Å; I76-L132 HydrophobicContact CG1-CG 4.4Å; I99-L132 HydrophobicContact CG2-CD1 4.49Å; V103-L132 HydrophobicContact CG2-CD1 4.31Å; V103-L132 HydrophobicContact CG2-CD2 3.69Å; V103-L132 HydrophobicContact CG2-CG 3.98Å; L106-L132 HydrophobicContact CD1-CD2 3.61Å; V128-L132 HydrophobicContact CG1-CD1 4.06Å; V128-L132 WeakPolarHBondContact O-CG 3.36Å; V128-L132 PolarHBondContact O-N 3.3Å; L129-L132 PolarHBondContact O-N 3.21Å; N130-L132 VanDerWaalsContact C-N 3.34Å; N130-L132 PolarHBondContact O-N 3.08Å; L132-S136 WeakPolarHBondContact O-CB 3.3Å; L132-S136 PolarHBondContact O-N 3.24Å; L132-S136 PolarHBondContact O-OG 3Å
133A92.5Very high88Confident0 Ų047.6 Ų47.60%023%0.23CC..Hα-helixtrans-67.7-41176.600000111.5L28 K31 L35 L75 L129 N130 S136 L137L28-A133 HydrophobicContact CD1-CB 4Å; K31-A133 HydrophobicContact CB-CB 4.1Å; K31-A133 HydrophobicContact CD-CB 4.25Å; L35-A133 HydrophobicContact CD1-CB 4.44Å; L75-A133 HydrophobicContact CD1-CB 4.34Å; L75-A133 HydrophobicContact CD2-CB 4.24Å; L129-A133 VanDerWaalsContact O-CB 3.24Å; L129-A133 WeakPolarHBondContact O-CB 3.45Å; L129-A133 PolarHBondContact O-N 2.82Å; N130-A133 PolarHBondContact O-N 2.71Å; A133-S136 WeakPolarHBondContact O-CB 3.46Å; A133-S136 PolarHBondContact O-N 2.76Å; A133-L137 WeakPolarHBondContact O-CB 3.43Å; A133-L137 VanDerWaalsContact O-CG 3.29Å; A133-L137 WeakPolarHBondContact O-CG 3.02Å; A133-L137 PolarHBondContact O-N 2.97Å
134D91.9Very high86.8Confident48 Ų4850.4 Ų50.426%0.25725%0.247SC..Hα-helixtrans-62.7-45.7175.5-70.9-29.6000111.3K31 N130 M131 S136 L137 Q138K31-D134 VanDerWaalsContact CD-OD1 3.29Å; K31-D134 WeakPolarHBondContact CD-OD1 3.45Å; K31-D134 WeakPolarHBondContact CE-OD1 3.17Å; K31-D134 IonicContact NZ-OD1 3.77Å; K31-D134 PolarHBondContact NZ-OD1 3.3Å; K31-D134 IonicContact NZ-OD2 3Å; K31-D134 PolarHBondContact NZ-OD2 2.91Å; N130-D134 WeakPolarHBondContact O-CB 3.44Å; N130-D134 VanDerWaalsContact O-CG 3.25Å; N130-D134 PolarHBondContact O-N 3.42Å; M131-D134 PolarHBondContact O-N 2.78Å; D134-S136 VanDerWaalsContact C-N 3.3Å; D134-S136 PolarHBondContact O-N 3.42Å; D134-L137 PolarHBondContact O-N 3.21Å; D134-Q138 WeakPolarHBondContact O-CG 3.21Å; D134-Q138 PolarHBondContact O-N 3.1Å
135A89.7Confident85.6Confident5 Ų553.8 Ų53.84%0.04127%0.269CS..Hα-helixtrans-58.2-42.9173.800000112.1A79 L106 Y108 M131 Q138 I139A79-A135 HydrophobicContact CB-CB 4.24Å; L106-A135 HydrophobicContact CB-CB 4.43Å; L106-A135 HydrophobicContact CD1-CB 3.92Å; L106-A135 HydrophobicContact CD2-CB 4.25Å; L106-A135 HydrophobicContact CG-CB 4.44Å; Y108-A135 HydrophobicContact CE2-CB 3.94Å; M131-A135 PolarHBondContact O-N 2.74Å; A135-Q138 PolarHBondContact O-N 2.96Å; A135-I139 PolarHBondContact O-N 3.46Å
136S89.6Confident84.5Confident0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-64.8-41.8178.1-58.90000112.1L75 L132 A133 D134 I139 Q140L75-S136 PolarHBondContact O-OG 2.93Å; L132-S136 WeakPolarHBondContact O-CB 3.3Å; L132-S136 PolarHBondContact O-N 3.24Å; L132-S136 PolarHBondContact O-OG 3Å; A133-S136 WeakPolarHBondContact O-CB 3.46Å; A133-S136 PolarHBondContact O-N 2.76Å; D134-S136 VanDerWaalsContact C-N 3.3Å; D134-S136 PolarHBondContact O-N 3.42Å; S136-I139 PolarHBondContact O-N 3.43Å; S136-Q140 VanDerWaalsContact O-CG 3.31Å; S136-Q140 WeakPolarHBondContact O-CG 3.39Å; S136-Q140 PolarHBondContact O-N 3.43Å; S136-Q140 VanDerWaalsContact O-N 3.08Å
137L88.1Confident83.3Confident32 Ų3263.5 Ų63.517%0.16833%0.333CS..Hα-helixtrans-66.2-40179.4-76.5171.9000112.1K31 L34 L35 A133 D134 I139 Q140 N141 I142K31-L137 HydrophobicContact CB-CD1 3.79Å; K31-L137 HydrophobicContact CD-CD1 4.3Å; K31-L137 HydrophobicContact CG-CD1 3.67Å; L34-L137 HydrophobicContact CB-CD2 3.94Å; L35-L137 HydrophobicContact CD1-CG 4.36Å; L35-L137 HydrophobicContact CD2-CD2 3.67Å; L35-L137 HydrophobicContact CD2-CG 4.06Å; L35-L137 HydrophobicContact CG-CD2 3.7Å; L35-L137 HydrophobicContact CG-CG 4.07Å; A133-L137 WeakPolarHBondContact O-CB 3.43Å; A133-L137 VanDerWaalsContact O-CG 3.29Å; A133-L137 WeakPolarHBondContact O-CG 3.02Å; A133-L137 PolarHBondContact O-N 2.97Å; D134-L137 PolarHBondContact O-N 3.21Å; L137-I139 VanDerWaalsContact C-N 3.26Å; L137-I139 PolarHBondContact O-N 2.91Å; L137-Q140 PolarHBondContact O-N 3.05Å; L137-N141 PolarHBondContact O-N 3.27Å; L137-I142 HydrophobicContact CD2-CD1 3.48Å; L137-I142 VanDerWaalsContact CD2-CD1 3.48Å; L137-I142 HydrophobicContact CD2-CG1 4.31Å
138Q85.5Confident82Confident146 Ų14670.3 Ų70.368%0.68236%0.363SS*.Hα-helixtrans-59.2-38.6176.2-73.1176.18.800111.9D134 A135D134-Q138 WeakPolarHBondContact O-CG 3.21Å; D134-Q138 PolarHBondContact O-N 3.1Å; A135-Q138 PolarHBondContact O-N 2.96Å
139I84Confident80.7Confident86 Ų8679.3 Ų79.344%0.44140%0.398SS..Hα-helixtrans-76.3-39.2-180-70.1164.8000112.1A79 N80 A135 S136 L137 N141A79-I139 VanDerWaalsContact CA-CD1 3.48Å; A79-I139 HydrophobicContact CB-CD1 4.02Å; A79-I139 WeakPolarHBondContact O-CD1 3.3Å; N80-I139 HydrophobicContact CB-CD1 4.4Å; A135-I139 PolarHBondContact O-N 3.46Å; S136-I139 PolarHBondContact O-N 3.43Å; L137-I139 VanDerWaalsContact C-N 3.26Å; L137-I139 PolarHBondContact O-N 2.91Å; I139-N141 PolarHBondContact O-N 3.47Å
140Q80.3Confident79.4Confident76 Ų7684.5 Ų84.536%0.35543%0.432SS..Hα-helixtrans-70.4-15.1-179.8-65.6-71.5-54.500112.9L35 S136 L137 I142L35-Q140 HydrophobicContact CD2-CG 3.98Å; S136-Q140 VanDerWaalsContact O-CG 3.31Å; S136-Q140 WeakPolarHBondContact O-CG 3.39Å; S136-Q140 PolarHBondContact O-N 3.43Å; S136-Q140 VanDerWaalsContact O-N 3.08Å; L137-Q140 PolarHBondContact O-N 3.05Å; Q140-I142 VanDerWaalsContact C-N 3.29Å; Q140-I142 HydrophobicContact CB-CD1 4.22Å; Q140-I142 HydrophobicContact CB-CG1 3.74Å; Q140-I142 PolarHBondContact O-N 2.88Å
141N74.9Confident78.1Confident123 Ų12392.8 Ų92.866%0.65847%0.47SS*.THydrogen-bonded Turntrans44.853.1179.9-167.823000112.2L137 I139 K143L137-N141 PolarHBondContact O-N 3.27Å; I139-N141 PolarHBondContact O-N 3.47Å; N141-K143 PolarHBondContact O-N 2.88Å; N141-K143 VanDerWaalsContact O-N 3.13Å
142I72.5Confident76.7Confident64 Ų6498 Ų9833%0.32850%0.499SS..  trans-68.8112-173.7-54.1-172000109L34 L35 L137 Q140 L144L34-I142 HydrophobicContact CB-CD1 4.29Å; L34-I142 VanDerWaalsContact O-CD1 3.28Å; L34-I142 WeakPolarHBondContact O-CD1 3.24Å; L35-I142 HydrophobicContact CD2-CD1 4.34Å; L137-I142 HydrophobicContact CD2-CD1 3.48Å; L137-I142 VanDerWaalsContact CD2-CD1 3.48Å; L137-I142 HydrophobicContact CD2-CG1 4.31Å; Q140-I142 VanDerWaalsContact C-N 3.29Å; Q140-I142 HydrophobicContact CB-CD1 4.22Å; Q140-I142 HydrophobicContact CB-CG1 3.74Å; Q140-I142 PolarHBondContact O-N 2.88Å; I142-L144 PolarHBondContact O-N 2.68Å
143K68.7Low74.9Confident168 Ų168106.6 Ų106.673%0.7354%0.539SS*.  trans-77.5109.9171.9-66.1-177.3-179.6-178.90108.7N141 L145N141-K143 PolarHBondContact O-N 2.88Å; N141-K143 VanDerWaalsContact O-N 3.13Å; K143-L145 PolarHBondContact O-N 3.05Å
144L64.7Low73.3Confident137 Ų137113.6 Ų113.672%0.71758%0.575SS**  trans-69.3108.4168.5-62.4177.8000107.8L34 I142L34-L144 HydrophobicContact CD2-CD2 3.67Å; I142-L144 PolarHBondContact O-N 2.68Å
145L67.7Low71.4Confident149 Ų149119.6 Ų119.678%0.7860%0.601SS**PPolyproline II helixtrans-82.4144.7172.1-70.1169.3000109.1K143K143-L145 PolarHBondContact O-N 3.05Å
146P69.1Low69.6Low111 Ų111127.4 Ų127.472%0.72164%0.637SS**PPolyproline II helixtrans-54.3141.4170.3-20.731.3000110.4E148P146-E148 PolarHBondContact O-N 3.23Å
147P68.8Low67.7Low95 Ų95133 Ų13362%0.61767%0.673SS**PPolyproline II helixtrans-62.3125.8176.425.3-32000109.9Y149P147-Y149 HydrophobicContact CG-CE2 4.33Å; P147-Y149 PolarHBondContact O-N 3.08Å
148E65.6Low65.7Low188 Ų188134.8 Ų134.888%0.87970%0.7SS**  trans-81.9109171.8-172.2171.1-169.100107.4P146P146-E148 PolarHBondContact O-N 3.23Å
149Y66.4Low63.8Low189 Ų189134.1 Ų134.174%0.74171%0.705SS**PPolyproline II helixtrans-73125174.4-65.7-86.5000107.2P147 E151P147-Y149 HydrophobicContact CG-CE2 4.33Å; P147-Y149 PolarHBondContact O-N 3.08Å; Y149-E151 PolarHBondContact O-N 3.46Å; Y149-E151 VanDerWaalsContact O-N 3.15Å
150P67.6Low61.7Low110 Ų110138.8 Ų138.871%0.71473%0.725SS**PPolyproline II helixtrans-56.5126.3167.324.3-29.9000107D152P150-D152 PolarHBondContact O-N 3.2Å; P150-D152 VanDerWaalsContact O-N 3.12Å
151E65.9Low59.7Low186 Ų186142.8 Ų142.887%0.86975%0.749SS**PPolyproline II helixtrans-62.7116.1174.8-62.5-178-17500106.2Y149 E153Y149-E151 PolarHBondContact O-N 3.46Å; Y149-E151 VanDerWaalsContact O-N 3.15Å; E151-E153 PolarHBondContact O-N 2.86Å
152D63.9Low57.8Low144 Ų144139.9 Ų139.977%0.7775%0.748SS**  trans-57.8108.4168.4-68.1-44000105.2P150 I154P150-D152 PolarHBondContact O-N 3.2Å; P150-D152 VanDerWaalsContact O-N 3.12Å; D152-I154 PolarHBondContact O-N 2.89Å
153E56Low56.3Low182 Ų182146.2 Ų146.285%0.8578%0.776SS**  trans-59.793.5167.4-80.8-178.4168.100105.5E151 E155E151-E153 PolarHBondContact O-N 2.86Å; E153-E155 PolarHBondContact O-N 3.38Å
154I57.8Low54.7Low146 Ų146143.6 Ų143.675%0.74978%0.78SS**  trans-63.997166.8-58.8161.7000103.2D152 E156D152-I154 PolarHBondContact O-N 2.89Å; I154-E156 PolarHBondContact O-N 3.28Å
155E52.9Low53.4Low175 Ų175142.3 Ų142.382%0.81878%0.782SS**  trans-59.390.4161.7-71.3-175.5172.600105.6E153 P157E153-E155 PolarHBondContact O-N 3.38Å; E155-P157 VanDerWaalsContact O-CD 3.31Å; E155-P157 WeakPolarHBondContact O-CD 3.34Å; E155-P157 VanDerWaalsContact O-N 3.1Å
156E50.8Low52Low168 Ų168143.6 Ų143.679%0.78578%0.784SS**  trans-54.9118.1165.2-80.5-165.2159.800105.7I154 G158I154-E156 PolarHBondContact O-N 3.28Å; E156-G158 PolarHBondContact O-N 3Å
157P51Low50.5Low118 Ų118144.6 Ų144.677%0.76679%0.788SS**  trans-60.3110.9178.923.5-30.6000106.7E155 V159E155-P157 VanDerWaalsContact O-CD 3.31Å; E155-P157 WeakPolarHBondContact O-CD 3.34Å; E155-P157 VanDerWaalsContact O-N 3.1Å; P157-V159 PolarHBondContact O-N 3.17Å
158G45.7Very low49.1Very low70 Ų70147.4 Ų147.472%0.72280%0.798SS**  trans-51.6118.7179.500000108.6E156 Q160E156-G158 PolarHBondContact O-N 3Å; G158-Q160 PolarHBondContact O-N 2.79Å
159V45.2Very low48.3Very low132 Ų132147.1 Ų147.180%0.880%0.796SS**  trans-61.692.8171.6-172.30000106.2P157 D161P157-V159 PolarHBondContact O-N 3.17Å; V159-D161 PolarHBondContact O-N 3.39Å
160Q39.3Very low47.3Very low184 Ų184147.1 Ų147.186%0.8680%0.803SS**  trans-81101.5174.7-172.6166.91.500106.5G158 G162G158-Q160 PolarHBondContact O-N 2.79Å; Q160-G162 VanDerWaalsContact C-N 3.25Å; Q160-G162 PolarHBondContact O-N 3.47Å
161D39Very low46.1Very low159 Ų159149.9 Ų149.985%0.8581%0.81SS**  trans-54.289167.9-71.7-41.9000109.6V159V159-D161 PolarHBondContact O-N 3.39Å
162G34.7Very low45Very low63 Ų63148 Ų14865%0.64980%0.802SS**  trans-110.2102.717200000108.7Q160 S164Q160-G162 VanDerWaalsContact C-N 3.25Å; Q160-G162 PolarHBondContact O-N 3.47Å; G162-S164 PolarHBondContact O-N 2.92Å
163E41.1Very low43.9Very low196 Ų196150.1 Ų150.192%0.91681%0.807SS**  trans-44.5110.7168-71.3178140.600111
164S35.9Very low43.1Very low114 Ų114152.6 Ų152.680%0.79781%0.809SS**  trans-159.399.5153.5-89.30000110.6G162G162-S164 PolarHBondContact O-N 2.92Å
165S37.6Very low42.1Very low109 Ų109148.7 Ų148.776%0.76280%0.804SS**  trans43.7103.2135.5-165.40000117.6T167S165-T167 PolarHBondContact O-N 3.13Å
166Q36.9Very low41.1Very low176 Ų176143.8 Ų143.882%0.82280%0.801SS**  trans-6.5102.8149.3-73.1173.7-31.200115.3
167T38.7Very low40.4Very low132 Ų132141.1 Ų141.181%0.8180%0.8SS**  trans-133.999.2141.249.70000106.3S165 E169S165-T167 PolarHBondContact O-N 3.13Å; T167-E169 PolarHBondContact O-N 3.02Å; T167-E169 VanDerWaalsContact O-N 3.14Å
168D38.4Very low39.7Very low155 Ų155140.8 Ų140.883%0.82980%0.801SS**  trans-67.396.3173-72.5-34.3000109.2
169E48.6Very low39.3Very low181 Ų181146.3 Ų146.385%0.84681%0.812SS**  trans-138.292.4160.7-72.5-171.2174.200109.4T167 I171T167-E169 PolarHBondContact O-N 3.02Å; T167-E169 VanDerWaalsContact O-N 3.14Å; E169-I171 PolarHBondContact O-N 3.02Å
170E46.1Very low38.8Very low190 Ų190143.4 Ų143.489%0.88881%0.808SS**  trans43.575142.4-140.8163.8-152.700116.9E172E170-E172 PolarHBondContact O-N 3.3Å
171I42.1Very low38.6Very low167 Ų167140 Ų14086%0.85681%0.805SS**  trans-78.8103.7163.2-66.1170000107.3E169 E173E169-I171 PolarHBondContact O-N 3.02Å; I171-E173 PolarHBondContact O-N 3.39Å; I171-E173 VanDerWaalsContact O-N 3.13Å
172E43.7Very low38.5Very low147 Ų147143.8 Ų143.869%0.68781%0.807SS**  trans-54117.4165-72.6-177.8159.800108.6E170 W174E170-E172 PolarHBondContact O-N 3.3Å; E172-W174 VanDerWaalsContact C-N 3.32Å; E172-W174 VanDerWaalsContact O-CD1 3.32Å; E172-W174 PolarHBondContact O-N 3.07Å
173E41.5Very low38.7Very low189 Ų189150.7 Ų150.788%0.88382%0.82SS**  trans-65.891174.3-174.8178.3178.200108.1I171 G175I171-E173 PolarHBondContact O-N 3.39Å; I171-E173 VanDerWaalsContact O-N 3.13Å; E173-G175 PolarHBondContact O-N 3.31Å
174W38.7Very low38.5Very low234 Ų234149.1 Ų149.189%0.88681%0.81SS**  trans-67.685.3172.2-83.366.5000108.4E172 G176E172-W174 VanDerWaalsContact C-N 3.32Å; E172-W174 VanDerWaalsContact O-CD1 3.32Å; E172-W174 PolarHBondContact O-N 3.07Å; W174-G176 PolarHBondContact O-N 2.88Å
175G35.3Very low38.5Very low63 Ų63153 Ų15365%0.64981%0.809SS**  trans-54.899.2173.100000110E173 S177E173-G175 PolarHBondContact O-N 3.31Å; G175-S177 PolarHBondContact O-N 3.3Å
176G32.3Very low38.5Very low73 Ų73153 Ų15375%0.75381%0.809SS**  trans-6377.9168.200000110.4W174 S178W174-G176 PolarHBondContact O-N 2.88Å; G176-S178 PolarHBondContact O-N 3.45Å
177S36.2Very low38.4Very low111 Ų111153.1 Ų153.178%0.77681%0.814SS**  trans-72.386.7160.1-82.70000108.1G175 I179G175-S177 PolarHBondContact O-N 3.3Å; S177-I179 PolarHBondContact O-N 3.48Å; S177-I179 VanDerWaalsContact O-N 3.15Å
178S36.3Very low38.3Very low111 Ų111151 Ų15178%0.77681%0.805SS**  trans13.692.4147.2-67.90000114G176 G180G176-S178 PolarHBondContact O-N 3.45Å; S178-G180 PolarHBondContact O-N 2.79Å
179I38.7Very low38.2Very low187 Ų187150.7 Ų150.796%0.95980%0.803SS**SBendtrans-70.465.4161.4-71.5168.7000107.4S177S177-I179 PolarHBondContact O-N 3.48Å; S177-I179 VanDerWaalsContact O-N 3.15Å
180G33.6Very low37.8Very low70 Ų70148 Ų14872%0.72280%0.803SS**  trans-130.635.3179.600000109.6S178S178-G180 PolarHBondContact O-N 2.79Å
181S34.8Very low37.4Very low113 Ų113146.1 Ų146.179%0.7980%0.799SS**  trans-124.384170.7-1500000109.4F183S181-F183 PolarHBondContact O-N 2.8Å
182R38.3Very low37.3Very low238 Ų238150 Ų15090%0.89880%0.803SS**  trans-21.4100.8156.2179.3177.6-82169.8-7.1111K184R182-K184 PolarHBondContact O-N 3.48Å
183F38Very low36.9Very low208 Ų208151.4 Ų151.491%0.91281%0.814SS**  trans-59.298.1177.5-148.7-99.1000108.9S181S181-F183 PolarHBondContact O-N 2.8Å
184K36.1Very low36.5Very low164 Ų164146 Ų14671%0.71381%0.809SS**  trans-91.8112.3175.3-160.8179.4-174.9-178.60106.7R182 S186R182-K184 PolarHBondContact O-N 3.48Å; K184-S186 PolarHBondContact O-N 3.05Å
185Y37.3Very low36.2Very low194 Ų194142.9 Ų142.976%0.76181%0.81SS**  trans-37.1117.6171.554.3-81.4000111.4
186S37.7Very low36.1Very low109 Ų109143.6 Ų143.676%0.76281%0.81SS**  trans-121.697.7156.2-170.80000106.1K184 S188K184-S186 PolarHBondContact O-N 3.05Å; S186-S188 PolarHBondContact O-N 3.39Å; S186-S188 VanDerWaalsContact O-N 3.13Å
187L34.9Very low36.3Very low179 Ų179147 Ų14794%0.93781%0.811SS**  trans-72.592.5170.6-170.489.6000107.3
188S35.9Very low36.2Very low89 Ų89151 Ų15162%0.62282%0.817SS**  trans-164.1137.9162.1-167.80000108S186S186-S188 PolarHBondContact O-N 3.39Å; S186-S188 VanDerWaalsContact O-N 3.13Å
189D36.3Very low36.3Very low148 Ų148154.9 Ų154.979%0.79182%0.823SS**  trans94.461.2168.9-48.2-7000114.6D191D189-D191 PolarHBondContact O-N 2.81Å
190C39.5Very low35.9Very low124 Ų124150.2 Ų150.284%0.83881%0.807SS**  trans-74.889.6151.354.40000109.3
191D37.4Very low36.1Very low151 Ų151153.5 Ų153.581%0.80781%0.808SS**  trans-159.794.7159.3-105.8-23.6000108.8D189D189-D191 PolarHBondContact O-N 2.81Å
192R40.2Very low36.3Very low248 Ų248155.5 Ų155.594%0.93681%0.81SS**  trans-166.798.4149.5-108.4165.4-163.1-174.24.8110.3
193L35.2Very low36.6Very low176 Ų176151 Ų15192%0.92180%0.803SS**  trans-55.7134.4157.6-62.1165000109.2
194G33.8Very low36.8Very low75 Ų75148.9 Ų148.977%0.77380%0.802SS**  trans-161.991.4173.800000110.3
195N32.6Very low37.4Very low170 Ų170148.6 Ų148.691%0.90981%0.808SS**  trans-52142.1163.4-78.48.7000111.5
196A33.7Very low37.9Very low78 Ų78147.7 Ų147.765%0.64581%0.811SS**  trans179.3104.3134.600000106.4
197D35.6Very low38.1Very low145 Ų145151 Ų15178%0.77581%0.814SS**  82.292.9104.5-60.9-27.9000109.8
198E35.7Very low38.5Very low193 Ų193148.2 Ų148.290%0.90280%0.804SS**  46.188.292.6-71.2-169.7-167.200112.3
199Q36.8Very low39Very low194 Ų194150.7 Ų150.791%0.90781%0.809SS**  trans-141.8115.5145.1-163.1123.43.100109
200S31.7Very low39.4Very low88 Ų88149.9 Ų149.962%0.61581%0.805SS**  trans-80.2169.7-179.757.40000112.4
201D36.3Very low39.8Very low139 Ų139151.4 Ų151.474%0.74380%0.804SS**  trans74.4102.5153-51.7-37000116.8
202D40Very low40.1Very low156 Ų156153 Ų15383%0.83480%0.804SS**  trans-155105136.3-96.7-23.6000110.1
203D44Very low39.9Very low143 Ų143144.5 Ų144.577%0.76579%0.792SS**  trans49.197.2143.9-64.9-21.2000120.6D205D203-D205 PolarHBondContact O-N 3.3Å; D203-D205 VanDerWaalsContact O-N 3.12Å
204D43.1Very low40Very low164 Ų164143.9 Ų143.988%0.87779%0.789SS**  trans-6589.3159.8-72.6-47.1000111.7E206D204-E206 PolarHBondContact O-N 3.27Å
205D47.4Very low39.9Very low157 Ų157147 Ų14784%0.8479%0.788SS**  trans-83.990.8157.5-81.6-31.6000109.2D203 E207D203-D205 PolarHBondContact O-N 3.3Å; D203-D205 VanDerWaalsContact O-N 3.12Å; D205-E207 VanDerWaalsContact C-N 3.33Å; D205-E207 PolarHBondContact O-N 3.11Å
206E48.7Very low40.1Very low176 Ų176146.1 Ų146.182%0.82278%0.783SS**  trans-6287.9167.5-83.2-155.7177.900110.8D204 V208D204-E206 PolarHBondContact O-N 3.27Å; E206-V208 PolarHBondContact O-N 3.28Å
207E42.1Very low40.2Very low177 Ų177151 Ų15183%0.82779%0.789SS**  trans-91.894.2158.7-159.2170.4-162.200109.2D205 I209D205-E207 VanDerWaalsContact C-N 3.33Å; D205-E207 PolarHBondContact O-N 3.11Å; E207-I209 PolarHBondContact O-N 3.05Å
208V41.8Very low40.2Very low122 Ų122150 Ų15074%0.73979%0.791SS**  trans-55.4104174.3176.70000109.8E206 D210E206-V208 PolarHBondContact O-N 3.28Å; V208-D210 PolarHBondContact O-N 3.49Å
209I46.8Very low40Very low141 Ų141147.2 Ų147.272%0.72379%0.787SS**  trans-69.5102.8175.4-57.5177.1000108.8E207 L211E207-I209 PolarHBondContact O-N 3.05Å; I209-L211 HydrophobicContact CG2-CD1 4.12Å; I209-L211 PolarHBondContact O-N 3.44Å
210D45Very low39.7Very low131 Ų131146.2 Ų146.270%0.70178%0.783SS**  trans-64.499.1170.4-176.816.5000110.2V208 K212V208-D210 PolarHBondContact O-N 3.49Å; D210-K212 PolarHBondContact O-N 2.97Å
211L47.8Very low39.8Very low156 Ų156146.8 Ų146.882%0.81779%0.787SS**THydrogen-bonded Turntrans-76.352-174.2-140.280.2000112.3I209I209-L211 HydrophobicContact CG2-CD1 4.12Å; I209-L211 PolarHBondContact O-N 3.44Å
212K43.9Very low39.6Very low185 Ų185148.6 Ų148.680%0.80479%0.79SS**THydrogen-bonded Turntrans-1389.9171.1-70.3-168.6179.4174.20115.3D210D210-K212 PolarHBondContact O-N 2.97Å
213G36.3Very low39.1Very low68 Ų68149.7 Ų149.770%0.70179%0.788SS**  trans-82.4-12.3179.300000116.9N215G213-N215 PolarHBondContact O-N 3.23Å
214L36Very low38.6Very low163 Ų163148.8 Ų148.885%0.85379%0.787SS**  trans-82.948.7-177.8-62.6178.6000112.9L216L214-L216 PolarHBondContact O-N 3.04Å
215N32Very low37.9Very low141 Ų141147.3 Ų147.375%0.75478%0.78SS**  trans-89.786.2158-162.4-13.9000107.4G213 K217G213-N215 PolarHBondContact O-N 3.23Å; N215-K217 VanDerWaalsContact C-N 3.28Å; N215-K217 PolarHBondContact O-N 3.16Å
216L37.8Very low37.3Very low151 Ų151147.9 Ų147.979%0.79178%0.782SS**  trans-57.190.9174.2-68166.5000109L214L214-L216 PolarHBondContact O-N 3.04Å
217K35.5Very low36.4Very low180 Ų180144.6 Ų144.678%0.78377%0.774SS**  trans-57.4130.2160.8-74.2-177.7178.4175.60106.8N215 T219N215-K217 VanDerWaalsContact C-N 3.28Å; N215-K217 PolarHBondContact O-N 3.16Å; K217-T219 PolarHBondContact O-N 3.02Å
218P36Very low35.9Very low125 Ų125144.4 Ų144.481%0.81277%0.773SS**  trans-61.6113-178.524.3-31000108Q220P218-Q220 PolarHBondContact O-N 2.92Å
219T31.1Very low35.5Very low135 Ų135147.4 Ų147.483%0.82878%0.776SS**  trans-55.2124.3175.640.80000108.3K217 S221K217-T219 PolarHBondContact O-N 3.02Å; T219-S221 PolarHBondContact O-N 3.31Å
220Q30.9Very low34.6Very low172 Ų172148.8 Ų148.880%0.80478%0.779SS**  trans-53.4112.3177-69.5175-6.200108.3P218 H222P218-Q220 PolarHBondContact O-N 2.92Å; Q220-H222 PolarHBondContact O-N 3.43Å
221S33.7Very low33.8Very low101 Ų101148 Ų14871%0.70678%0.78SS**  trans-53.7104.4161.537.20000108T219 K223T219-S221 PolarHBondContact O-N 3.31Å; S221-K223 PolarHBondContact O-N 3.18Å
222H32.4Very low32.7Very low177 Ų177149.5 Ų149.582%0.81978%0.783SS**  trans-60.285.6161.8-78.7-90.4000107.7Q220 T224Q220-H222 PolarHBondContact O-N 3.43Å; H222-T224 PolarHBondContact O-N 3.11Å; H222-T224 VanDerWaalsContact O-N 3.17Å
223K29.4Very low32.1Very low178 Ų178148.4 Ų148.477%0.77479%0.785SS**  trans-68101.9159.9-81-178.4173.8179.40106.3S221 D225S221-K223 PolarHBondContact O-N 3.18Å; K223-D225 VanDerWaalsContact C-N 3.25Å; K223-D225 PolarHBondContact O-N 3.26Å
224T32Very low31.8Very low124 Ų124154.8 Ų154.876%0.76179%0.793SS**  trans-68.591.3161.749.10000107.4H222 L226H222-T224 PolarHBondContact O-N 3.11Å; H222-T224 VanDerWaalsContact O-N 3.17Å; T224-L226 PolarHBondContact O-N 2.8Å; T224-L226 VanDerWaalsContact O-N 3.08Å
225D29.4Very low31.7Very low134 Ų134152.7 Ų152.772%0.71779%0.789SS**  trans-62.1100.7164-98.1-21.8000107.9K223 T227K223-D225 VanDerWaalsContact C-N 3.25Å; K223-D225 PolarHBondContact O-N 3.26Å; D225-T227 PolarHBondContact O-N 3.37Å
226L34.9Very low31.3Very low168 Ų168152.9 Ų152.988%0.8880%0.796SS**  trans-76.177.4158.6-69.1170.7000106.7T224 E228T224-L226 PolarHBondContact O-N 2.8Å; T224-L226 VanDerWaalsContact O-N 3.08Å; L226-E228 PolarHBondContact O-N 2.98Å
227T30.3Very low30.9Very low107 Ų107149.4 Ų149.466%0.65680%0.796SS**  trans-68.398.9170.3-41.80000108.1D225 K229D225-T227 PolarHBondContact O-N 3.37Å; T227-K229 PolarHBondContact O-N 3.43Å
228E30.5Very low30.6Very low174 Ų174150.2 Ų150.281%0.81380%0.799SS**  trans-5393.6169.5-161.8169.7-152.900109.6L226 Q230L226-E228 PolarHBondContact O-N 2.98Å; E228-Q230 PolarHBondContact O-N 3.12Å; E228-Q230 VanDerWaalsContact O-N 3.08Å
229K33Very low30.3Very low184 Ų184150.4 Ų150.480%0.880%0.798SS**  trans-7596.7171.7-74-173.91781790108.2T227 T231T227-K229 PolarHBondContact O-N 3.43Å; K229-T231 PolarHBondContact O-N 3.49Å
230Q28.2Very low30.6Very low170 Ų170151.6 Ų151.679%0.79480%0.799SS**  trans-57.496.8160.3-68.7176.7-8.600108.7E228 E232E228-Q230 PolarHBondContact O-N 3.12Å; E228-Q230 VanDerWaalsContact O-N 3.08Å; Q230-E232 PolarHBondContact O-N 2.88Å
231T29.6Very low30.7Very low116 Ų116151.9 Ų151.971%0.71280%0.801SS**  trans-87.5100.1162.2400000107.8K229 L233K229-T231 PolarHBondContact O-N 3.49Å; T231-L233 PolarHBondContact O-N 3.29Å
232E25.1Very low30.9Very low187 Ų187156.8 Ų156.887%0.87481%0.81SS**  trans-56.699.9171-66.7177.7149.600110.3Q230Q230-E232 PolarHBondContact O-N 2.88Å
233L31Very low30.9Very low162 Ų162160.6 Ų160.685%0.84882%0.816SS**  trans-91.9104.1165.2-71170.9000108.6T231T231-L233 PolarHBondContact O-N 3.29Å
234K29Very low31.5Very low202 Ų202156.6 Ų156.688%0.87881%0.811SS**  trans-53127.8170.2-117.4174.6179174.40110.8
235P33.4Very low32Very low118 Ų118157.6 Ų157.677%0.76681%0.812SS**  trans-97.8112.3-179.934.4-27.3000110.7
236T24Very low32.8Very low146 Ų146159.6 Ų159.690%0.89682%0.822SS**  trans-149.196.7158.956.50000109.4
237G29.8Very low33.2Very low77 Ų77163.1 Ų163.179%0.79482%0.824SS**  trans-172.783.8179.100000111.2
238K29.8Very low34.3Very low197 Ų197162.2 Ų162.286%0.85783%0.827SS**  trans-15.6126.6175.5-67.8173.4176.31790116.8D240K238-D240 PolarHBondContact O-N 3.3Å
239V29.7Very low35.2Very low130 Ų130159.9 Ų159.979%0.78883%0.825SS**  trans-56110.3162-176.90000108.8E241V239-E241 HydrophobicContact CG1-CG 4.25Å
240D35.7Very low36.6Very low159 Ų159159.4 Ų159.485%0.8583%0.83SS**  trans-116.4104.4158.2-92.4-40.2000108K238 K242K238-D240 PolarHBondContact O-N 3.3Å; D240-K242 PolarHBondContact O-N 2.87Å
241E33.8Very low38.2Very low178 Ų178160.1 Ų160.183%0.83283%0.831SS**  trans-63109175-70.2178.5129.700111.1V239V239-E241 HydrophobicContact CG1-CG 4.25Å
242K37.7Very low39.5Very low205 Ų205160.2 Ų160.289%0.89183%0.834SS**  trans-141.978.7149.1-77.9-167-179.9168.90110.6D240 S244D240-K242 PolarHBondContact O-N 2.87Å; K242-S244 PolarHBondContact O-N 2.95Å
243R33.5Very low41.4Very low256 Ų256157 Ų15797%0.96683%0.833SS**  trans-79.296.9167.5-169.9177.2-171.9-179.52.2108.4
244S40.5Very low43.2Very low94 Ų94153.7 Ų153.766%0.65782%0.819SS**  trans-137.9112.2170.4-1650000111.2K242K242-S244 PolarHBondContact O-N 2.95Å
245N42.3Very low45.6Very low145 Ų145147.8 Ų147.878%0.77580%0.797SS**  trans71.579.5154.1-61.9-16.2000120.3R247N245-R247 VanDerWaalsContact C-N 3.29Å; N245-R247 PolarHBondContact O-N 2.86Å
246N46.8Very low47.9Very low176 Ų176147 Ų14794%0.94179%0.793SS**  trans-72.465.6162.9-75-6.2000113.1
247R44.2Very low50.8Low243 Ų243142.6 Ų142.692%0.91777%0.77SS**  trans-142.934.3169-138.1175.9-178.4172.1-0.3113.8N245N245-R247 VanDerWaalsContact C-N 3.29Å; N245-R247 PolarHBondContact O-N 2.86Å
248A52Low53.4Low88 Ų88143.9 Ų143.973%0.72776%0.759SS**  trans-85.5121167.500000109.2L250A248-L250 PolarHBondContact O-N 2.96Å
249V50.2Low55.9Low124 Ų124142.9 Ų142.975%0.75275%0.75SS**  trans-48.6119.2172.7172.60000109.3K251V249-K251 PolarHBondContact O-N 2.89Å
250L61.8Low58.5Low175 Ų175143 Ų14392%0.91674%0.74SS**  trans-62.1104.2175.5-67.2166.5000108.1A248A248-L250 PolarHBondContact O-N 2.96Å
251K62.1Low61.1Low185 Ų185140.7 Ų140.780%0.80473%0.727SS**  trans-89.5125.3170.9-68-175.8179.7-177.50107.9V249 S253V249-K251 PolarHBondContact O-N 2.89Å; K251-S253 PolarHBondContact O-N 3.12Å
252C58.1Low63.4Low117 Ų117136.3 Ų136.379%0.79171%0.707SS**  trans-65.4114.4173.1-154.60000107.8T254C252-T254 VanDerWaalsContact C-N 3.32Å
253S63.1Low65.8Low121 Ų121129.6 Ų129.685%0.84668%0.683SS**  trans-101.135.6178.3179.80000110.5K251K251-S253 PolarHBondContact O-N 3.12Å
254T69.6Low68.3Low91 Ų91122.6 Ų122.656%0.55866%0.661SS**  trans-85.7115.3176.5-55.20000108.5C252C252-T254 VanDerWaalsContact C-N 3.32Å
255D79.9Confident70.6Confident78 Ų78124.1 Ų124.142%0.41765%0.652SS.*  trans-67.3125.6176.8-176-1.4000109.5A257 D258 W259D255-A257 PolarHBondContact O-N 2.72Å; D255-A257 PolarHBondContact OD1-N 3.45Å; D255-D258 HydrophobicContact CB-CB 4.21Å; D255-D258 PolarHBondContact O-N 3.37Å; D255-D258 VanDerWaalsContact O-N 3.14Å; D255-W259 PolarHBondContact O-N 2.93Å; D255-W259 VanDerWaalsContact O-N 3.14Å
256P80.2Confident72.6Confident103 Ų103118.8 Ų118.867%0.66963%0.625SS**Hα-helixtrans-57.4-26.4175.121.4-33.3000113.4W259 K260P256-W259 PolarHBondContact O-N 3.04Å; P256-K260 PolarHBondContact O-N 3.21Å
257A85.5Confident74.4Confident52 Ų52115 Ų11543%0.4360%0.604SS.*Hα-helixtrans-68.6-43.8175.200000112.1D255 W259 K260 L261D255-A257 PolarHBondContact O-N 2.72Å; D255-A257 PolarHBondContact OD1-N 3.45Å; A257-W259 VanDerWaalsContact C-N 3.26Å; A257-W259 PolarHBondContact O-N 3Å; A257-K260 PolarHBondContact O-N 2.92Å; A257-L261 PolarHBondContact O-N 3.13Å; A257-L261 VanDerWaalsContact O-N 3.07Å
258D84.4Confident76.1Confident104 Ų104107.8 Ų107.856%0.55659%0.589SS**Hα-helixtrans-61.4-38.3174.7-72.2-18000111D255 L261 E262D255-D258 HydrophobicContact CB-CB 4.21Å; D255-D258 PolarHBondContact O-N 3.37Å; D255-D258 VanDerWaalsContact O-N 3.14Å; D258-L261 PolarHBondContact O-N 3.01Å; D258-E262 WeakPolarHBondContact O-CB 3.18Å; D258-E262 PolarHBondContact O-N 3.48Å
259W82.9Confident77.3Confident176 Ų176110.1 Ų110.167%0.66759%0.585SS**Hα-helixtrans-66.3-39.9177.4-155.670.1000112.2D255 P256 A257 E262 V263D255-W259 PolarHBondContact O-N 2.93Å; D255-W259 VanDerWaalsContact O-N 3.14Å; P256-W259 PolarHBondContact O-N 3.04Å; A257-W259 VanDerWaalsContact C-N 3.26Å; A257-W259 PolarHBondContact O-N 3Å; W259-E262 PolarHBondContact O-N 3.11Å; W259-V263 HydrophobicContact CD2-CG2 4.37Å; W259-V263 HydrophobicContact CE3-CG2 4.14Å; W259-V263 HydrophobicContact CH2-CG2 4.47Å; W259-V263 HydrophobicContact CZ3-CG2 4.19Å; W259-V263 WeakPolarHBondContact O-CG2 3.33Å; W259-V263 PolarHBondContact O-N 3.42Å
260K84.7Confident78.5Confident134 Ų134110 Ų11058%0.58358%0.579SS**Hα-helixtrans-64.2-41.9176-171.8178.1178-179.10112.1P256 A257 E262 V263 E264P256-K260 PolarHBondContact O-N 3.21Å; A257-K260 PolarHBondContact O-N 2.92Å; K260-E262 VanDerWaalsContact C-N 3.28Å; K260-E262 PolarHBondContact O-N 3.41Å; K260-V263 PolarHBondContact O-N 3.46Å; K260-E264 WeakPolarHBondContact CE-OE1 3.49Å; K260-E264 PolarHBondContact O-N 3.23Å
261L88.8Confident79Confident109 Ų109111 Ų11157%0.57157%0.571SS**Hα-helixtrans-62.7-38.8175-72172.9000111.5A257 D258 E264 R265A257-L261 PolarHBondContact O-N 3.13Å; A257-L261 VanDerWaalsContact O-N 3.07Å; D258-L261 PolarHBondContact O-N 3.01Å; L261-E264 PolarHBondContact O-N 3.02Å; L261-R265 VanDerWaalsContact O-CB 3.28Å; L261-R265 WeakPolarHBondContact O-CB 3.49Å; L261-R265 PolarHBondContact O-N 3.06Å
262E83.8Confident79.5Confident87 Ų87107.9 Ų107.941%0.40757%0.567SS.*Hα-helixtrans-66.4-39.3176.1-173.562.3-174.500111.8D258 W259 K260 R265 V266D258-E262 WeakPolarHBondContact O-CB 3.18Å; D258-E262 PolarHBondContact O-N 3.48Å; W259-E262 PolarHBondContact O-N 3.11Å; K260-E262 VanDerWaalsContact C-N 3.28Å; K260-E262 PolarHBondContact O-N 3.41Å; E262-R265 WeakPolarHBondContact O-CB 3.42Å; E262-R265 PolarHBondContact O-N 3.49Å; E262-R265 IonicContact OE1-CZ 3.58Å; E262-R265 IonicContact OE1-NE 2.72Å; E262-R265 PolarHBondContact OE1-NE 3.27Å; E262-R265 IonicContact OE1-NH2 3.54Å; E262-R265 PolarHBondContact OE1-NH2 3.44Å; E262-R265 IonicContact OE2-CZ 2.66Å; E262-R265 IonicContact OE2-NE 2.85Å; E262-R265 PolarHBondContact OE2-NE 2.94Å; E262-R265 IonicContact OE2-NH2 3.47Å; E262-V266 HydrophobicContact CG-CG2 4.4Å; E262-V266 WeakPolarHBondContact O-CB 3.42Å; E262-V266 WeakPolarHBondContact O-CG2 3.38Å; E262-V266 PolarHBondContact O-N 3.11Å
263V86.6Confident79.9Confident64 Ų64109 Ų10939%0.38857%0.565SS.*Hα-helixtrans-62.8-47.6173.8171.80000111.1W259 K260 R265 V266 L267W259-V263 HydrophobicContact CD2-CG2 4.37Å; W259-V263 HydrophobicContact CE3-CG2 4.14Å; W259-V263 HydrophobicContact CH2-CG2 4.47Å; W259-V263 HydrophobicContact CZ3-CG2 4.19Å; W259-V263 WeakPolarHBondContact O-CG2 3.33Å; W259-V263 PolarHBondContact O-N 3.42Å; K260-V263 PolarHBondContact O-N 3.46Å; V263-R265 PolarHBondContact O-N 3.41Å; V263-V266 PolarHBondContact O-N 3.21Å; V263-V266 VanDerWaalsContact O-N 3.13Å; V263-L267 HydrophobicContact CG1-CG 4.39Å; V263-L267 WeakPolarHBondContact O-CG 3.45Å; V263-L267 PolarHBondContact O-N 3.04Å
264E86.8Confident80.1Confident108 Ų108109.3 Ų109.351%0.50556%0.561SS.*Hα-helixtrans-60.6-36176.6-73179.6-171.200112.1K260 L261 P268K260-E264 WeakPolarHBondContact CE-OE1 3.49Å; K260-E264 PolarHBondContact O-N 3.23Å; L261-E264 PolarHBondContact O-N 3.02Å; E264-P268 WeakPolarHBondContact O-CD 3.31Å
265R87.8Confident79.7Confident126 Ų126115.8 Ų115.848%0.47558%0.575SS.*Hα-helixtrans-68.9-34.4175.8-165.7-168.170.868.7-2.1112.8L261 E262 V263L261-R265 VanDerWaalsContact O-CB 3.28Å; L261-R265 WeakPolarHBondContact O-CB 3.49Å; L261-R265 PolarHBondContact O-N 3.06Å; E262-R265 WeakPolarHBondContact O-CB 3.42Å; E262-R265 PolarHBondContact O-N 3.49Å; E262-R265 IonicContact OE1-CZ 3.58Å; E262-R265 IonicContact OE1-NE 2.72Å; E262-R265 PolarHBondContact OE1-NE 3.27Å; E262-R265 IonicContact OE1-NH2 3.54Å; E262-R265 PolarHBondContact OE1-NH2 3.44Å; E262-R265 IonicContact OE2-CZ 2.66Å; E262-R265 IonicContact OE2-NE 2.85Å; E262-R265 PolarHBondContact OE2-NE 2.94Å; E262-R265 IonicContact OE2-NH2 3.47Å; V263-R265 PolarHBondContact O-N 3.41Å
266V86.2Confident78.9Confident34 Ų34116.5 Ų116.521%0.20659%0.587CS.*Hα-helixtrans-92.2-20.7-174.7177.60000112.4E262 V263 Q269 L270E262-V266 HydrophobicContact CG-CG2 4.4Å; E262-V266 WeakPolarHBondContact O-CB 3.42Å; E262-V266 WeakPolarHBondContact O-CG2 3.38Å; E262-V266 PolarHBondContact O-N 3.11Å; V263-V266 PolarHBondContact O-N 3.21Å; V263-V266 VanDerWaalsContact O-N 3.13Å; V266-Q269 CarbonylContact O-C 3.55Å; V266-Q269 WeakPolarHBondContact O-CA 3.48Å; V266-Q269 WeakPolarHBondContact O-CB 3.46Å; V266-Q269 PolarHBondContact O-N 3.29Å; V266-L270 HydrophobicContact CG1-CD1 3.72Å; V266-L270 HydrophobicContact CG1-CG 3.84Å; V266-L270 PolarHBondContact O-N 2.85Å
267L83.1Confident78.3Confident97 Ų97116.4 Ų116.451%0.50858%0.58SS.*Hα-helixtrans-49.4-45.2175.9-88.3173.8000114.4V263 Q269 L270 R271V263-L267 HydrophobicContact CG1-CG 4.39Å; V263-L267 WeakPolarHBondContact O-CG 3.45Å; V263-L267 PolarHBondContact O-N 3.04Å; L267-Q269 PolarHBondContact O-N 2.83Å; L267-L270 PolarHBondContact O-N 2.98Å; L267-R271 PolarHBondContact O-N 2.83Å
268P80.2Confident77.2Confident90 Ų90122 Ų12258%0.58460%0.601SS**Hα-helixtrans-65-27.1175.4-2132.9000113.5E264E264-P268 WeakPolarHBondContact O-CD 3.31Å
269Q76.6Confident76.4Confident138 Ų138124 Ų12465%0.64561%0.605SS**Hα-helixtrans-81.6-27.2178-55.9-173.7-9.600111.8V266 L267 R271V266-Q269 CarbonylContact O-C 3.55Å; V266-Q269 WeakPolarHBondContact O-CA 3.48Å; V266-Q269 WeakPolarHBondContact O-CB 3.46Å; V266-Q269 PolarHBondContact O-N 3.29Å; L267-Q269 PolarHBondContact O-N 2.83Å; Q269-R271 VanDerWaalsContact C-N 3.34Å
270L76.4Confident76.1Confident120 Ų120118.6 Ų118.663%0.62859%0.589SS**Hα-helixtrans-84.5-5.5174.7-72.7167.2000113.4V266 L267 V272V266-L270 HydrophobicContact CG1-CD1 3.72Å; V266-L270 HydrophobicContact CG1-CG 3.84Å; V266-L270 PolarHBondContact O-N 2.85Å; L267-L270 PolarHBondContact O-N 2.98Å; L270-V272 PolarHBondContact O-N 2.79Å
271R72.2Confident76.1Confident198 Ų198119.4 Ų119.475%0.74759%0.589SS**  trans-6887.1167.3-79.3-174.5163.6-164.5-5.1108.8L267 Q269 N273L267-R271 PolarHBondContact O-N 2.83Å; Q269-R271 VanDerWaalsContact C-N 3.34Å; R271-N273 VanDerWaalsContact C-N 3.31Å; R271-N273 PolarHBondContact O-N 2.97Å; R271-N273 PolarHBondContact O-OD1 3.28Å
272V72.3Confident76Confident119 Ų119121.8 Ų121.872%0.72159%0.59SS**  trans-67.493.1172.3-178.40000107.5L270 V274L270-V272 PolarHBondContact O-N 2.79Å; V272-V274 VanDerWaalsContact C-N 3.25Å; V272-V274 HydrophobicContact CG1-CG2 3.96Å; V272-V274 PolarHBondContact O-N 3.34Å
273N66.6Low76.1Confident141 Ų141120.9 Ų120.975%0.75459%0.591SS**  trans-68.891.6162.9-77.386.3000107.2R271 R275R271-N273 VanDerWaalsContact C-N 3.31Å; R271-N273 PolarHBondContact O-N 2.97Å; R271-N273 PolarHBondContact O-OD1 3.28Å; N273-R275 VanDerWaalsContact C-N 3.28Å; N273-R275 PolarHBondContact O-N 3.39Å
274V68.2Low76.1Confident126 Ų126122 Ų12276%0.76459%0.591SS**  trans-60.696.8167.6-177.30000106.3V272 S276V272-V274 VanDerWaalsContact C-N 3.25Å; V272-V274 HydrophobicContact CG1-CG2 3.96Å; V272-V274 PolarHBondContact O-N 3.34Å; V274-S276 PolarHBondContact O-N 3.49Å; V274-S276 VanDerWaalsContact O-N 3.12Å
275R60Low76.3Confident227 Ų227120.4 Ų120.486%0.85759%0.586SS**  trans-65.5112.2165.7-65-172.3-179.1-162.80.1104.7N273 D277N273-R275 VanDerWaalsContact C-N 3.28Å; N273-R275 PolarHBondContact O-N 3.39Å; R275-D277 PolarHBondContact O-N 3.48Å
276S64.6Low76.5Confident94 Ų94118.2 Ų118.266%0.65758%0.584SS**  trans-57.695.1164.553.20000106.5V274 I278V274-S276 PolarHBondContact O-N 3.49Å; V274-S276 VanDerWaalsContact O-N 3.12Å; S276-I278 PolarHBondContact O-N 3.48Å
277D65.8Low76.9Confident100 Ų100121 Ų12154%0.53559%0.594SS.*  trans-66.2120.9176-171.6-5.4000106R275 K279 D280R275-D277 PolarHBondContact O-N 3.48Å; D277-K279 CarbonylContact O-C 3.57Å; D277-K279 PolarHBondContact O-N 3.11Å; D277-K279 WeakPolarHBondContact OD1-CB 3.18Å; D277-K279 PolarHBondContact OD1-N 3.29Å; D277-K279 VanDerWaalsContact OD1-N 3.09Å; D277-D280 PolarHBondContact O-N 3.31Å
278I63.3Low77.4Confident170 Ų170122.1 Ų122.187%0.87260%0.599SS**THydrogen-bonded Turntrans-55.6-15.6175.3-64.7156.1000110.4S276 D280S276-I278 PolarHBondContact O-N 3.48Å; I278-D280 VanDerWaalsContact C-N 3.31Å; I278-D280 PolarHBondContact O-N 3.03Å
279K68.5Low78.1Confident145 Ų145122.9 Ų122.963%0.6359%0.593SS**THydrogen-bonded Turntrans-92.938.4171.9-141.9169.3-175.8-65.50113.6D277 W281D277-K279 CarbonylContact O-C 3.57Å; D277-K279 PolarHBondContact O-N 3.11Å; D277-K279 WeakPolarHBondContact OD1-CB 3.18Å; D277-K279 PolarHBondContact OD1-N 3.29Å; D277-K279 VanDerWaalsContact OD1-N 3.09Å; K279-W281 PolarHBondContact O-N 2.93Å
280D75.1Confident79Confident63 Ų63120.9 Ų120.934%0.33758%0.583SS.*  trans-59105.3171.1-84.8-35.4000109.2D277 I278 R282 T283 H284D277-D280 PolarHBondContact O-N 3.31Å; I278-D280 VanDerWaalsContact C-N 3.31Å; I278-D280 PolarHBondContact O-N 3.03Å; D280-R282 PolarHBondContact O-N 3.07Å; D280-T283 WeakPolarHBondContact O-CA 3.34Å; D280-T283 VanDerWaalsContact O-CB 3.3Å; D280-T283 WeakPolarHBondContact O-CB 3.43Å; D280-T283 PolarHBondContact O-N 3.1Å; D280-H284 PolarHBondContact O-N 3.04Å
281W86.3Confident80Confident151 Ų151119.7 Ų119.757%0.57258%0.577SS**Hα-helixtrans-55.2-21.2175.365.1-89000112.3K279 H284 L285K279-W281 PolarHBondContact O-N 2.93Å; W281-H284 PolarHBondContact O-N 2.86Å; W281-L285 HydrophobicContact CZ3-CD2 4.02Å; W281-L285 VanDerWaalsContact O-CB 3.26Å; W281-L285 WeakPolarHBondContact O-CB 3.41Å; W281-L285 PolarHBondContact O-N 2.95Å
282R85Confident81.2Confident160 Ų160114.1 Ų114.160%0.60457%0.565SS**Hα-helixtrans-63.6-44.9170.4-67.7-174.9171.789.4-1111.8D280 L285 D286D280-R282 PolarHBondContact O-N 3.07Å; R282-L285 PolarHBondContact O-N 3.16Å; R282-D286 WeakPolarHBondContact O-CB 3.4Å; R282-D286 PolarHBondContact O-N 3.35Å
283T86.3Confident82.3Confident68 Ų68114.7 Ų114.742%0.41756%0.561SS.*Hα-helixtrans-62.3-44.2173.3-50.40000110.7D280 L285 D286 Q287D280-T283 WeakPolarHBondContact O-CA 3.34Å; D280-T283 VanDerWaalsContact O-CB 3.3Å; D280-T283 WeakPolarHBondContact O-CB 3.43Å; D280-T283 PolarHBondContact O-N 3.1Å; T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact O-N 2.89Å; T283-D286 PolarHBondContact O-N 3.49Å; T283-Q287 WeakPolarHBondContact O-CB 3.48Å; T283-Q287 VanDerWaalsContact O-CG 3.24Å; T283-Q287 WeakPolarHBondContact O-CG 3.42Å; T283-Q287 PolarHBondContact O-N 3.36Å
284H86.7Confident83.7Confident87 Ų87113 Ų11340%0.40355%0.549SS..Hα-helixtrans-64.2-37.7175.4-68.2-44.9000113.1D280 W281 D286 Q287 M288D280-H284 PolarHBondContact O-N 3.04Å; W281-H284 PolarHBondContact O-N 2.86Å; H284-D286 VanDerWaalsContact C-N 3.34Å; H284-Q287 PolarHBondContact ND1-OE1 2.96Å; H284-M288 VanDerWaalsContact O-CB 3.28Å; H284-M288 WeakPolarHBondContact O-CB 3.24Å; H284-M288 PolarHBondContact O-N 3.38Å
285L90.8Very high85.1Confident74 Ų74112.6 Ų112.639%0.38754%0.542SS..Hα-helixtrans-66.6-39.5175.9179.863.6000110.9W281 R282 T283 M288 K289W281-L285 HydrophobicContact CZ3-CD2 4.02Å; W281-L285 VanDerWaalsContact O-CB 3.26Å; W281-L285 WeakPolarHBondContact O-CB 3.41Å; W281-L285 PolarHBondContact O-N 2.95Å; R282-L285 PolarHBondContact O-N 3.16Å; T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact O-N 2.89Å; L285-M288 PolarHBondContact O-N 2.92Å; L285-K289 WeakPolarHBondContact O-CG 3.35Å; L285-K289 PolarHBondContact O-N 3.3Å
286D92.4Very high86.9Confident81 Ų81106.5 Ų106.543%0.43352%0.523SS..Hα-helixtrans-68.2-46.2176.5-157.761.2000111.6R282 T283 H284 M288 K289 Q290R282-D286 WeakPolarHBondContact O-CB 3.4Å; R282-D286 PolarHBondContact O-N 3.35Å; T283-D286 PolarHBondContact O-N 3.49Å; H284-D286 VanDerWaalsContact C-N 3.34Å; D286-M288 VanDerWaalsContact C-N 3.29Å; D286-M288 PolarHBondContact O-N 3.36Å; D286-K289 WeakPolarHBondContact O-CA 3.38Å; D286-K289 WeakPolarHBondContact O-CB 3.03Å; D286-K289 PolarHBondContact O-N 2.97Å; D286-Q290 WeakPolarHBondContact O-CG 3.39Å; D286-Q290 PolarHBondContact O-N 2.72Å; D286-Q290 PolarHBondContact OD2-NE2 3.07Å
287Q93.5Very high88.4Confident91 Ų91105.9 Ų105.943%0.42552%0.515SS..Hα-helixtrans-54.5-44.2170.6-74.6172.6-18.400111.8T283 H284 K289 Q290 L291T283-Q287 WeakPolarHBondContact O-CB 3.48Å; T283-Q287 VanDerWaalsContact O-CG 3.24Å; T283-Q287 WeakPolarHBondContact O-CG 3.42Å; T283-Q287 PolarHBondContact O-N 3.36Å; H284-Q287 PolarHBondContact ND1-OE1 2.96Å; Q287-K289 VanDerWaalsContact C-N 3.32Å; Q287-K289 PolarHBondContact O-N 3.48Å; Q287-Q290 PolarHBondContact O-N 3.32Å; Q287-L291 WeakPolarHBondContact O-CB 3.45Å; Q287-L291 WeakPolarHBondContact O-CG 3.36Å; Q287-L291 PolarHBondContact O-N 3.16Å
288M94.3Very high89.8Confident121 Ų121107 Ų10760%0.59652%0.519SS*.Hα-helixtrans-63.8-38.1177.4-178.9179.4162.100111.8H284 L285 D286 T292H284-M288 VanDerWaalsContact O-CB 3.28Å; H284-M288 WeakPolarHBondContact O-CB 3.24Å; H284-M288 PolarHBondContact O-N 3.38Å; L285-M288 PolarHBondContact O-N 2.92Å; D286-M288 VanDerWaalsContact C-N 3.29Å; D286-M288 PolarHBondContact O-N 3.36Å; M288-T292 WeakPolarHBondContact O-CB 3.4Å; M288-T292 PolarHBondContact O-N 2.94Å; M288-T292 PolarHBondContact O-OG1 3.49Å
289K95.6Very high91.4Very high107 Ų107104.6 Ų104.647%0.46550%0.502SS..Hα-helixtrans-65.3-45174.4-72.6171.3-178.71770111.3L285 D286 Q287 T292 M293L285-K289 WeakPolarHBondContact O-CG 3.35Å; L285-K289 PolarHBondContact O-N 3.3Å; D286-K289 WeakPolarHBondContact O-CA 3.38Å; D286-K289 WeakPolarHBondContact O-CB 3.03Å; D286-K289 PolarHBondContact O-N 2.97Å; Q287-K289 VanDerWaalsContact C-N 3.32Å; Q287-K289 PolarHBondContact O-N 3.48Å; K289-T292 WeakPolarHBondContact O-CB 3.37Å; K289-T292 PolarHBondContact O-N 3Å; K289-M293 WeakPolarHBondContact O-CG 3.4Å; K289-M293 PolarHBondContact O-N 2.99Å
290Q96Very high92.8Very high95 Ų95101.6 Ų101.644%0.44449%0.49SS..Hα-helixtrans-58.6-51.7176.5-67.5171.511.400110.9D286 Q287 T292 M293 E294D286-Q290 WeakPolarHBondContact O-CG 3.39Å; D286-Q290 PolarHBondContact O-N 2.72Å; D286-Q290 PolarHBondContact OD2-NE2 3.07Å; Q287-Q290 PolarHBondContact O-N 3.32Å; Q290-T292 VanDerWaalsContact C-N 3.27Å; Q290-T292 PolarHBondContact O-N 3.05Å; Q290-M293 WeakPolarHBondContact O-CB 3.28Å; Q290-M293 PolarHBondContact O-N 3.13Å; Q290-E294 WeakPolarHBondContact O-CG 3.31Å; Q290-E294 PolarHBondContact O-N 3.05Å
291L95.8Very high93.8Very high96 Ų96102.7 Ų102.750%0.50350%0.496SS..Hα-helixtrans-58.8-37.7175.6-71.1174.1000112.6Q287 M293 E294 I295Q287-L291 WeakPolarHBondContact O-CB 3.45Å; Q287-L291 WeakPolarHBondContact O-CG 3.36Å; Q287-L291 PolarHBondContact O-N 3.16Å; L291-M293 VanDerWaalsContact C-N 3.34Å; L291-E294 PolarHBondContact O-N 3.36Å; L291-I295 WeakPolarHBondContact O-CB 3.28Å; L291-I295 WeakPolarHBondContact O-CD1 3.46Å; L291-I295 WeakPolarHBondContact O-CG1 2.91Å; L291-I295 PolarHBondContact O-N 3.05Å
292T97.2Very high94.3Very high80 Ų8098 Ų9849%0.49149%0.489SS..Hα-helixtrans-65.5-40.2177.1-57.40000111.1M288 K289 Q290 E296M288-T292 WeakPolarHBondContact O-CB 3.4Å; M288-T292 PolarHBondContact O-N 2.94Å; M288-T292 PolarHBondContact O-OG1 3.49Å; K289-T292 WeakPolarHBondContact O-CB 3.37Å; K289-T292 PolarHBondContact O-N 3Å; Q290-T292 VanDerWaalsContact C-N 3.27Å; Q290-T292 PolarHBondContact O-N 3.05Å; T292-E296 PolarHBondContact O-N 3.17Å; T292-E296 VanDerWaalsContact O-N 3.1Å
293M96.3Very high94.9Very high131 Ų13195.1 Ų95.165%0.64548%0.481SS*.Hα-helixtrans-65.6-44.9175.3-67.5175.8-172.600111.3K289 Q290 L291 I295 E296 T297K289-M293 WeakPolarHBondContact O-CG 3.4Å; K289-M293 PolarHBondContact O-N 2.99Å; Q290-M293 WeakPolarHBondContact O-CB 3.28Å; Q290-M293 PolarHBondContact O-N 3.13Å; L291-M293 VanDerWaalsContact C-N 3.34Å; M293-I295 PolarHBondContact O-N 3.01Å; M293-E296 PolarHBondContact O-N 3.28Å; M293-T297 WeakPolarHBondContact O-CG2 3.12Å; M293-T297 PolarHBondContact O-N 2.93Å; M293-T297 PolarHBondContact O-OG1 3.37Å
294E96.8Very high95.3Very high107 Ų10795 Ų9550%0.548%0.483SS..Hα-helixtrans-61.6-40.9176.1-71.5172.9-162.200112.7Q290 L291 E296 T297 M298Q290-E294 WeakPolarHBondContact O-CG 3.31Å; Q290-E294 PolarHBondContact O-N 3.05Å; L291-E294 PolarHBondContact O-N 3.36Å; E294-E296 VanDerWaalsContact C-N 3.31Å; E294-E296 PolarHBondContact O-N 3.18Å; E294-T297 WeakPolarHBondContact CA-OG1 3.3Å; E294-T297 PolarHBondContact O-N 2.82Å; E294-T297 PolarHBondContact O-OG1 3.22Å; E294-M298 WeakPolarHBondContact O-CB 3.39Å; E294-M298 WeakPolarHBondContact O-CG 3.47Å; E294-M298 PolarHBondContact O-N 3.09Å
295I97Very high95.8Very high117 Ų11795.8 Ų95.860%0.649%0.487SS*.Hα-helixtrans-63.7-40.9176.1-71.8165.2000110.5L291 M293 F299L291-I295 WeakPolarHBondContact O-CB 3.28Å; L291-I295 WeakPolarHBondContact O-CD1 3.46Å; L291-I295 WeakPolarHBondContact O-CG1 2.91Å; L291-I295 PolarHBondContact O-N 3.05Å; M293-I295 PolarHBondContact O-N 3.01Å; I295-F299 VanDerWaalsContact O-CB 3.24Å; I295-F299 WeakPolarHBondContact O-CB 3.23Å; I295-F299 PolarHBondContact O-N 3.46Å
296E97Very high96.1Very high99 Ų9998 Ų9846%0.46350%0.498SS..Hα-helixtrans-65.5-43.7178.3-175.459.1-145.800111.4T292 M293 E294 F299 Q300T292-E296 PolarHBondContact O-N 3.17Å; T292-E296 VanDerWaalsContact O-N 3.1Å; M293-E296 PolarHBondContact O-N 3.28Å; E294-E296 VanDerWaalsContact C-N 3.31Å; E294-E296 PolarHBondContact O-N 3.18Å; E296-F299 PolarHBondContact O-N 3.35Å; E296-Q300 WeakPolarHBondContact O-CG 3.49Å; E296-Q300 PolarHBondContact O-N 2.99Å; E296-Q300 PolarHBondContact OE1-NE2 2.94Å
297T96.2Very high96.4Very high81 Ų8198.3 Ų98.350%0.49750%0.499SS..Hα-helixtrans-62.6-47.9176.456.60000111.3M293 E294 F299 Q300 D301M293-T297 WeakPolarHBondContact O-CG2 3.12Å; M293-T297 PolarHBondContact O-N 2.93Å; M293-T297 PolarHBondContact O-OG1 3.37Å; E294-T297 WeakPolarHBondContact CA-OG1 3.3Å; E294-T297 PolarHBondContact O-N 2.82Å; E294-T297 PolarHBondContact O-OG1 3.22Å; T297-F299 VanDerWaalsContact C-N 3.26Å; T297-F299 PolarHBondContact O-N 3.09Å; T297-Q300 PolarHBondContact O-N 3.1Å; T297-Q300 VanDerWaalsContact O-N 3.12Å; T297-D301 PolarHBondContact O-N 3.03Å
298M96.2Very high96.6Very high123 Ų123101 Ų10161%0.60651%0.505SS*.Hα-helixtrans-61-35.1176.7-70.2-60.7-62.300112.5E294 D301 A302E294-M298 WeakPolarHBondContact O-CB 3.39Å; E294-M298 WeakPolarHBondContact O-CG 3.47Å; E294-M298 PolarHBondContact O-N 3.09Å; M298-D301 PolarHBondContact O-N 2.98Å; M298-A302 WeakPolarHBondContact O-CB 3.45Å; M298-A302 PolarHBondContact O-N 3.32Å
299F96.7Very high96.7Very high119 Ų119100 Ų10052%0.52250%0.502SS..Hα-helixtrans-67-43.1174.6178.3-102.7000111.9I295 E296 T297 D301 A302 K303I295-F299 VanDerWaalsContact O-CB 3.24Å; I295-F299 WeakPolarHBondContact O-CB 3.23Å; I295-F299 PolarHBondContact O-N 3.46Å; E296-F299 PolarHBondContact O-N 3.35Å; T297-F299 VanDerWaalsContact C-N 3.26Å; T297-F299 PolarHBondContact O-N 3.09Å; F299-D301 VanDerWaalsContact C-N 3.33Å; F299-D301 PolarHBondContact O-N 2.85Å; F299-A302 PolarHBondContact O-N 3.37Å; F299-K303 HydrophobicContact CE1-CD 4.4Å; F299-K303 WeakPolarHBondContact O-CB 3.41Å; F299-K303 PolarHBondContact O-N 3.27Å
300Q96.5Very high96.8Very high83 Ų8399.8 Ų99.839%0.38850%0.502SS..Hα-helixtrans-62.9-40.5175.2-66.1-56.1-29.700111.6E296 T297 K303 S304E296-Q300 WeakPolarHBondContact O-CG 3.49Å; E296-Q300 PolarHBondContact O-N 2.99Å; E296-Q300 PolarHBondContact OE1-NE2 2.94Å; T297-Q300 PolarHBondContact O-N 3.1Å; T297-Q300 VanDerWaalsContact O-N 3.12Å; Q300-K303 PolarHBondContact O-N 3.38Å; Q300-S304 WeakPolarHBondContact O-CB 3.42Å; Q300-S304 PolarHBondContact O-N 3.43Å
301D96.1Very high96.9Very high86 Ų8699.6 Ų99.646%0.4651%0.505SS..Hα-helixtrans-62.5-50.4175.4-75.3-13.8000111.6T297 M298 F299 K303 S304 Q305T297-D301 PolarHBondContact O-N 3.03Å; M298-D301 PolarHBondContact O-N 2.98Å; F299-D301 VanDerWaalsContact C-N 3.33Å; F299-D301 PolarHBondContact O-N 2.85Å; D301-K303 VanDerWaalsContact C-N 3.29Å; D301-K303 PolarHBondContact O-N 3.17Å; D301-S304 PolarHBondContact O-N 3.31Å; D301-S304 VanDerWaalsContact O-N 3.16Å; D301-S304 PolarHBondContact O-OG 3.39Å; D301-Q305 WeakPolarHBondContact O-CG 3.37Å; D301-Q305 PolarHBondContact O-N 3.3Å
302A97.1Very high97Very high52 Ų5299.6 Ų99.643%0.4350%0.502SS..Hα-helixtrans-60.4-39.9177.500000112.1M298 F299 Q305 L306M298-A302 WeakPolarHBondContact O-CB 3.45Å; M298-A302 PolarHBondContact O-N 3.32Å; F299-A302 PolarHBondContact O-N 3.37Å; A302-Q305 PolarHBondContact O-N 2.94Å; A302-L306 WeakPolarHBondContact O-CB 3.48Å; A302-L306 PolarHBondContact O-N 3.4Å
303K97.4Very high97Very high100 Ų100100.9 Ų100.944%0.43551%0.505SS..Hα-helixtrans-63-43.5175.4-177.8-178.1176.5-172.10111.5F299 Q300 D301 Q305 L306 I307F299-K303 HydrophobicContact CE1-CD 4.4Å; F299-K303 WeakPolarHBondContact O-CB 3.41Å; F299-K303 PolarHBondContact O-N 3.27Å; Q300-K303 PolarHBondContact O-N 3.38Å; D301-K303 VanDerWaalsContact C-N 3.29Å; D301-K303 PolarHBondContact O-N 3.17Å; K303-Q305 VanDerWaalsContact C-N 3.34Å; K303-Q305 PolarHBondContact O-N 2.98Å; K303-L306 PolarHBondContact O-N 2.94Å; K303-I307 HydrophobicContact CG-CD1 4.12Å; K303-I307 VanDerWaalsContact O-CG1 3.31Å; K303-I307 WeakPolarHBondContact O-CG1 3.5Å; K303-I307 PolarHBondContact O-N 2.97Å
304S96.6Very high97.1Very high64 Ų6497.8 Ų97.845%0.44849%0.492SS..Hα-helixtrans-62.1-42176.881.20000111.7Q300 D301 I307 R308Q300-S304 WeakPolarHBondContact O-CB 3.42Å; Q300-S304 PolarHBondContact O-N 3.43Å; D301-S304 PolarHBondContact O-N 3.31Å; D301-S304 VanDerWaalsContact O-N 3.16Å; D301-S304 PolarHBondContact O-OG 3.39Å; S304-I307 PolarHBondContact O-N 2.95Å; S304-R308 PolarHBondContact O-N 2.88Å
305Q96.9Very high97.1Very high104 Ų10494.9 Ų94.949%0.48648%0.483SS..Hα-helixtrans-63.3-42.8175.9-67.9176.424.700111.5D301 A302 K303 R308 L309D301-Q305 WeakPolarHBondContact O-CG 3.37Å; D301-Q305 PolarHBondContact O-N 3.3Å; A302-Q305 PolarHBondContact O-N 2.94Å; K303-Q305 VanDerWaalsContact C-N 3.34Å; K303-Q305 PolarHBondContact O-N 2.98Å; Q305-R308 WeakPolarHBondContact O-CB 3.4Å; Q305-R308 PolarHBondContact O-N 3.27Å; Q305-L309 WeakPolarHBondContact O-CG 3.47Å; Q305-L309 PolarHBondContact O-N 2.98Å
306L97.4Very high97.1Very high120 Ų12092.9 Ų92.963%0.62847%0.474SS*.Hα-helixtrans-64.6-40.6177.6-176.562.7000112.1A302 K303 R308 L309 H310A302-L306 WeakPolarHBondContact O-CB 3.48Å; A302-L306 PolarHBondContact O-N 3.4Å; K303-L306 PolarHBondContact O-N 2.94Å; L306-R308 VanDerWaalsContact C-N 3.33Å; L306-L309 PolarHBondContact O-N 3.39Å; L306-H310 WeakPolarHBondContact O-CB 3.29Å; L306-H310 PolarHBondContact O-N 3.28Å
307I97.8Very high97.2Very high88 Ų8891.9 Ų91.945%0.45147%0.474SS..Hα-helixtrans-62.1-43174.9-70.1166.2000110.4K303 S304 H310 N311K303-I307 HydrophobicContact CG-CD1 4.12Å; K303-I307 VanDerWaalsContact O-CG1 3.31Å; K303-I307 WeakPolarHBondContact O-CG1 3.5Å; K303-I307 PolarHBondContact O-N 2.97Å; S304-I307 PolarHBondContact O-N 2.95Å; I307-H310 PolarHBondContact O-N 3.26Å; I307-N311 VanDerWaalsContact O-CG 3.23Å; I307-N311 PolarHBondContact O-N 3.26Å; I307-N311 PolarHBondContact O-ND2 2.92Å
308R97.2Very high97.1Very high147 Ų14792.3 Ų92.356%0.55547%0.473SS*.Hα-helixtrans-60.1-49.1175.8-173.8176.266.3-157.7-1.8111.7S304 Q305 L306 H310 N311 E312S304-R308 PolarHBondContact O-N 2.88Å; Q305-R308 WeakPolarHBondContact O-CB 3.4Å; Q305-R308 PolarHBondContact O-N 3.27Å; L306-R308 VanDerWaalsContact C-N 3.33Å; R308-H310 VanDerWaalsContact C-N 3.31Å; R308-H310 PolarHBondContact O-N 3.43Å; R308-N311 PolarHBondContact O-N 3.35Å; R308-N311 VanDerWaalsContact O-N 3.17Å; R308-E312 WeakPolarHBondContact CG-OE1 3.48Å; R308-E312 WeakPolarHBondContact O-CG 3.47Å; R308-E312 PolarHBondContact O-N 2.9Å
309L97.6Very high97.2Very high100 Ų10092.3 Ų92.352%0.52447%0.47SS..Hα-helixtrans-60.9-39.3176.9-72.4174.3000112.5Q305 L306 N311 E312 L313Q305-L309 WeakPolarHBondContact O-CG 3.47Å; Q305-L309 PolarHBondContact O-N 2.98Å; L306-L309 PolarHBondContact O-N 3.39Å; L309-N311 VanDerWaalsContact C-N 3.34Å; L309-E312 PolarHBondContact O-N 3.47Å; L309-L313 WeakPolarHBondContact O-CB 3.43Å; L309-L313 PolarHBondContact O-N 3.43Å
310H97.7Very high97.2Very high103 Ų10392 Ų9248%0.47747%0.472SS..Hα-helixtrans-61.8-43.9175.4178.966.3000111.6L306 I307 R308 L313 N314L306-H310 WeakPolarHBondContact O-CB 3.29Å; L306-H310 PolarHBondContact O-N 3.28Å; I307-H310 PolarHBondContact O-N 3.26Å; R308-H310 VanDerWaalsContact C-N 3.31Å; R308-H310 PolarHBondContact O-N 3.43Å; H310-L313 PolarHBondContact O-N 3.24Å; H310-N314 PolarHBondContact CD2-ND2 3.41Å; H310-N314 PolarHBondContact CE1-ND2 2.9Å; H310-N314 VanDerWaalsContact CE1-ND2 3.32Å; H310-N314 PolarHBondContact NE2-ND2 3.45Å; H310-N314 WeakPolarHBondContact O-CB 3.31Å; H310-N314 VanDerWaalsContact O-CG 3.3Å; H310-N314 PolarHBondContact O-N 3.12Å; H310-N314 PolarHBondContact O-ND2 3.25Å
311N97.4Very high97.2Very high92 Ų9290.9 Ų90.949%0.49247%0.469SS..Hα-helixtrans-66.5-41.3178-67.9-22.2000112.1I307 R308 L309 N314 S315I307-N311 VanDerWaalsContact O-CG 3.23Å; I307-N311 PolarHBondContact O-N 3.26Å; I307-N311 PolarHBondContact O-ND2 2.92Å; R308-N311 PolarHBondContact O-N 3.35Å; R308-N311 VanDerWaalsContact O-N 3.17Å; L309-N311 VanDerWaalsContact C-N 3.34Å; N311-N314 PolarHBondContact O-N 2.92Å; N311-S315 WeakPolarHBondContact O-CB 3.34Å; N311-S315 PolarHBondContact O-N 3.46Å
312E97.7Very high97.3Very high96 Ų9691.4 Ų91.445%0.44947%0.472SS..Hα-helixtrans-60.5-47.8174.4-73.5172.4-170.300111.3R308 L309 N314 S315 D316R308-E312 WeakPolarHBondContact CG-OE1 3.48Å; R308-E312 WeakPolarHBondContact O-CG 3.47Å; R308-E312 PolarHBondContact O-N 2.9Å; L309-E312 PolarHBondContact O-N 3.47Å; E312-N314 PolarHBondContact O-N 3.44Å; E312-S315 WeakPolarHBondContact O-CB 3.29Å; E312-S315 PolarHBondContact O-N 3.32Å; E312-D316 PolarHBondContact O-N 3.36Å
313L97.6Very high97.2Very high106 Ų10695.9 Ų95.956%0.55548%0.478SS*.Hα-helixtrans-61.7-43.4178-177.363.4000112L309 H310 D316 V317L309-L313 WeakPolarHBondContact O-CB 3.43Å; L309-L313 PolarHBondContact O-N 3.43Å; H310-L313 PolarHBondContact O-N 3.24Å; L313-D316 PolarHBondContact O-N 2.85Å; L313-V317 VanDerWaalsContact O-CG2 3.31Å; L313-V317 WeakPolarHBondContact O-CG2 3.3Å; L313-V317 PolarHBondContact O-N 3.23Å
314N97.2Very high97.2Very high67 Ų6795.8 Ų95.836%0.35848%0.479SS..Hα-helixtrans-61.7-45.5176.2-74.8-22.3000111.3H310 N311 E312 D316 V317 D318H310-N314 PolarHBondContact CD2-ND2 3.41Å; H310-N314 PolarHBondContact CE1-ND2 2.9Å; H310-N314 VanDerWaalsContact CE1-ND2 3.32Å; H310-N314 PolarHBondContact NE2-ND2 3.45Å; H310-N314 WeakPolarHBondContact O-CB 3.31Å; H310-N314 VanDerWaalsContact O-CG 3.3Å; H310-N314 PolarHBondContact O-N 3.12Å; H310-N314 PolarHBondContact O-ND2 3.25Å; N311-N314 PolarHBondContact O-N 2.92Å; E312-N314 PolarHBondContact O-N 3.44Å; N314-D316 VanDerWaalsContact C-N 3.27Å; N314-D316 PolarHBondContact O-N 2.91Å; N314-V317 PolarHBondContact O-N 3.27Å; N314-D318 PolarHBondContact O-N 2.93Å
315S97.2Very high97.1Very high46 Ų4697.8 Ų97.832%0.32248%0.479SS..Hα-helixtrans-57.1-42.1174.5142.20000111.4N311 E312 D318 K319N311-S315 WeakPolarHBondContact O-CB 3.34Å; N311-S315 PolarHBondContact O-N 3.46Å; E312-S315 WeakPolarHBondContact O-CB 3.29Å; E312-S315 PolarHBondContact O-N 3.32Å; S315-D318 PolarHBondContact O-N 2.88Å; S315-K319 VanDerWaalsContact O-CG 3.29Å; S315-K319 WeakPolarHBondContact O-CG 3.47Å; S315-K319 PolarHBondContact O-N 3.49Å; S315-K319 VanDerWaalsContact OG-CE 3.3Å; S315-K319 WeakPolarHBondContact OG-CE 3.4Å; S315-K319 PolarHBondContact OG-NZ 3.48Å
316D97.7Very high97.1Very high75 Ų7598.8 Ų98.840%0.40148%0.479SS..Hα-helixtrans-72-37179.9-74.5-7.4000112.7E312 L313 N314 D318 K319 I320E312-D316 PolarHBondContact O-N 3.36Å; L313-D316 PolarHBondContact O-N 2.85Å; N314-D316 VanDerWaalsContact C-N 3.27Å; N314-D316 PolarHBondContact O-N 2.91Å; D316-D318 VanDerWaalsContact C-N 3.32Å; D316-D318 PolarHBondContact O-N 3.41Å; D316-K319 PolarHBondContact O-N 3.42Å; D316-K319 IonicContact OD1-NZ 2.81Å; D316-K319 PolarHBondContact OD1-NZ 3.42Å; D316-I320 WeakPolarHBondContact O-CB 3.39Å; D316-I320 VanDerWaalsContact O-CG1 3.22Å; D316-I320 WeakPolarHBondContact O-CG1 3.29Å; D316-I320 PolarHBondContact O-N 3.26Å
317V97.9Very high97Very high77 Ų7797.4 Ų97.447%0.46747%0.471SS..Hα-helixtrans-60.1-43.4170.2169.20000110.7L313 N314 I320 N321L313-V317 VanDerWaalsContact O-CG2 3.31Å; L313-V317 WeakPolarHBondContact O-CG2 3.3Å; L313-V317 PolarHBondContact O-N 3.23Å; N314-V317 PolarHBondContact O-N 3.27Å; V317-I320 PolarHBondContact O-N 2.86Å; V317-N321 WeakPolarHBondContact O-CB 3.47Å; V317-N321 PolarHBondContact O-N 3.37Å
318D95.9Very high96.8Very high91 Ų9197 Ų9749%0.48747%0.47SS..Hα-helixtrans-64.8-41.2176.8-75.1-29.9000112N314 S315 D316 N321 N322N314-D318 PolarHBondContact O-N 2.93Å; S315-D318 PolarHBondContact O-N 2.88Å; D316-D318 VanDerWaalsContact C-N 3.32Å; D316-D318 PolarHBondContact O-N 3.41Å; D318-N321 PolarHBondContact O-N 3.31Å; D318-N322 WeakPolarHBondContact O-CB 3.33Å; D318-N322 PolarHBondContact O-N 3.16Å; D318-N322 PolarHBondContact O-ND2 3.33Å; D318-N322 VanDerWaalsContact O-ND2 3.16Å
319K97.2Very high96.7Very high123 Ų12395.6 Ų95.654%0.53547%0.473SS..Hα-helixtrans-60.4-44.5172.6-71.2170.4-159.6159.30111.4S315 D316 N322 R323S315-K319 VanDerWaalsContact O-CG 3.29Å; S315-K319 WeakPolarHBondContact O-CG 3.47Å; S315-K319 PolarHBondContact O-N 3.49Å; S315-K319 VanDerWaalsContact OG-CE 3.3Å; S315-K319 WeakPolarHBondContact OG-CE 3.4Å; S315-K319 PolarHBondContact OG-NZ 3.48Å; D316-K319 PolarHBondContact O-N 3.42Å; D316-K319 IonicContact OD1-NZ 2.81Å; D316-K319 PolarHBondContact OD1-NZ 3.42Å; K319-N322 PolarHBondContact O-N 2.89Å; K319-R323 WeakPolarHBondContact O-CB 3.35Å; K319-R323 PolarHBondContact O-N 2.83Å
320I97.3Very high96.5Very high112 Ų11295.7 Ų95.757%0.57447%0.471SS*.Hα-helixtrans-62.9-47.5177.8-70.3164.7000110.2D316 V317 N322 R323 E324D316-I320 WeakPolarHBondContact O-CB 3.39Å; D316-I320 VanDerWaalsContact O-CG1 3.22Å; D316-I320 WeakPolarHBondContact O-CG1 3.29Å; D316-I320 PolarHBondContact O-N 3.26Å; V317-I320 PolarHBondContact O-N 2.86Å; I320-N322 VanDerWaalsContact C-N 3.34Å; I320-N322 PolarHBondContact O-N 2.81Å; I320-R323 CarbonylContact O-C 3.59Å; I320-R323 WeakPolarHBondContact O-CB 3.22Å; I320-R323 PolarHBondContact O-N 3.49Å; I320-R323 VanDerWaalsContact O-N 3.13Å; I320-E324 WeakPolarHBondContact O-CB 3.33Å; I320-E324 PolarHBondContact O-N 2.94Å
321N96.9Very high96.3Very high59 Ų5994.1 Ų94.132%0.31647%0.468SS..Hα-helixtrans-61.1-42.1178.1-174.721.5000111.7V317 D318 R323 E324 K325V317-N321 WeakPolarHBondContact O-CB 3.47Å; V317-N321 PolarHBondContact O-N 3.37Å; D318-N321 PolarHBondContact O-N 3.31Å; N321-R323 VanDerWaalsContact C-N 3.35Å; N321-E324 PolarHBondContact O-N 3.3Å; N321-K325 WeakPolarHBondContact O-CB 3.36Å; N321-K325 VanDerWaalsContact O-CG 3.29Å; N321-K325 WeakPolarHBondContact O-CG 3.4Å; N321-K325 PolarHBondContact O-N 2.88Å; N321-K325 WeakPolarHBondContact OD1-CE 3.48Å
322N96.7Very high96.1Very high97 Ų9793.5 Ų93.552%0.51946%0.463SS..Hα-helixtrans-65.4-38.7175.1-71.8-27.3000111.9D318 K319 I320 Y326D318-N322 WeakPolarHBondContact O-CB 3.33Å; D318-N322 PolarHBondContact O-N 3.16Å; D318-N322 PolarHBondContact O-ND2 3.33Å; D318-N322 VanDerWaalsContact O-ND2 3.16Å; K319-N322 PolarHBondContact O-N 2.89Å; I320-N322 VanDerWaalsContact C-N 3.34Å; I320-N322 PolarHBondContact O-N 2.81Å; N322-Y326 WeakPolarHBondContact O-CB 3.44Å; N322-Y326 PolarHBondContact O-N 3.4Å
323R96.6Very high95.9Very high147 Ų14791.9 Ų91.956%0.55546%0.46SS*.Hα-helixtrans-67-41.7175.2-177.158.4177.1173.2-0.4111.9K319 I320 N321 Y326 M327K319-R323 WeakPolarHBondContact O-CB 3.35Å; K319-R323 PolarHBondContact O-N 2.83Å; I320-R323 CarbonylContact O-C 3.59Å; I320-R323 WeakPolarHBondContact O-CB 3.22Å; I320-R323 PolarHBondContact O-N 3.49Å; I320-R323 VanDerWaalsContact O-N 3.13Å; N321-R323 VanDerWaalsContact C-N 3.35Å; R323-Y326 PolarHBondContact O-N 2.78Å; R323-M327 WeakPolarHBondContact O-CG 3.36Å; R323-M327 PolarHBondContact O-N 3.34Å
324E95.7Very high95.6Very high98 Ų9891.9 Ų91.946%0.45846%0.46SS..Hα-helixtrans-60.5-50.1174.5-177.2-177.6178.900110.5I320 N321 Y326 M327 N328I320-E324 WeakPolarHBondContact O-CB 3.33Å; I320-E324 PolarHBondContact O-N 2.94Å; N321-E324 PolarHBondContact O-N 3.3Å; E324-Y326 VanDerWaalsContact C-N 3.3Å; E324-Y326 PolarHBondContact O-N 2.89Å; E324-M327 PolarHBondContact O-N 3.48Å; E324-N328 WeakPolarHBondContact O-CB 3.44Å; E324-N328 VanDerWaalsContact O-CG 3.27Å; E324-N328 PolarHBondContact O-N 2.89Å
325K95.7Very high95.3Very high106 Ų10692.1 Ų92.146%0.46146%0.461SS..Hα-helixtrans-55.5-44.1173.9-74.3171.7-176169.90112N321 N328 N329N321-K325 WeakPolarHBondContact O-CB 3.36Å; N321-K325 VanDerWaalsContact O-CG 3.29Å; N321-K325 WeakPolarHBondContact O-CG 3.4Å; N321-K325 PolarHBondContact O-N 2.88Å; N321-K325 WeakPolarHBondContact OD1-CE 3.48Å; K325-N328 PolarHBondContact O-N 2.8Å; K325-N329 WeakPolarHBondContact O-CB 3.4Å; K325-N329 PolarHBondContact O-N 3.18Å; K325-N329 PolarHBondContact O-ND2 3.38Å
326Y95.7Very high94.9Very high124 Ų12495.4 Ų95.449%0.48647%0.47SS..Hα-helixtrans-61.7-48.2176.6179.7-92.9000111.8N322 R323 E324 N329 Q330N322-Y326 WeakPolarHBondContact O-CB 3.44Å; N322-Y326 PolarHBondContact O-N 3.4Å; R323-Y326 PolarHBondContact O-N 2.78Å; E324-Y326 VanDerWaalsContact C-N 3.3Å; E324-Y326 PolarHBondContact O-N 2.89Å; Y326-N329 PolarHBondContact O-N 3.03Å; Y326-Q330 HydrophobicContact CD1-CG 4.28Å; Y326-Q330 HydrophobicContact CE1-CG 3.87Å; Y326-Q330 WeakPolarHBondContact O-CG 3.5Å; Y326-Q330 PolarHBondContact O-N 2.85Å; Y326-Q330 VanDerWaalsContact O-N 3.08Å; Y326-Q330 PolarHBondContact OH-NE2 3.44Å
327M95.4Very high94.5Very high92 Ų9297.8 Ų97.845%0.45348%0.478SS..Hα-helixtrans-62.9-44.9177.6-70.7-167.1-45.400111.8R323 E324 N329 Q330 V331R323-M327 WeakPolarHBondContact O-CG 3.36Å; R323-M327 PolarHBondContact O-N 3.34Å; E324-M327 PolarHBondContact O-N 3.48Å; M327-N329 VanDerWaalsContact C-N 3.28Å; M327-N329 PolarHBondContact O-N 3.3Å; M327-Q330 WeakPolarHBondContact O-CB 3.18Å; M327-Q330 PolarHBondContact O-N 3.31Å; M327-V331 WeakPolarHBondContact O-CB 3.06Å; M327-V331 WeakPolarHBondContact O-CG2 3.37Å; M327-V331 PolarHBondContact O-N 3.13Å
328N94.7Very high93.9Very high80 Ų80101 Ų10143%0.42848%0.483SS..Hα-helixtrans-59.8-41.3176.8-71.7-15.5000110.8E324 K325 Q330 V331 E332E324-N328 WeakPolarHBondContact O-CB 3.44Å; E324-N328 VanDerWaalsContact O-CG 3.27Å; E324-N328 PolarHBondContact O-N 2.89Å; K325-N328 PolarHBondContact O-N 2.8Å; N328-Q330 VanDerWaalsContact C-N 3.28Å; N328-Q330 PolarHBondContact O-N 2.85Å; N328-V331 PolarHBondContact O-N 3.34Å; N328-E332 WeakPolarHBondContact O-CB 3.29Å; N328-E332 PolarHBondContact O-N 3.08Å
329N94.9Very high93.4Very high116 Ų116103.6 Ų103.662%0.6249%0.486SS*.Hα-helixtrans-64-29.5174.5-73.9-17.3000113.7K325 Y326 M327 P333K325-N329 WeakPolarHBondContact O-CB 3.4Å; K325-N329 PolarHBondContact O-N 3.18Å; K325-N329 PolarHBondContact O-ND2 3.38Å; Y326-N329 PolarHBondContact O-N 3.03Å; M327-N329 VanDerWaalsContact C-N 3.28Å; M327-N329 PolarHBondContact O-N 3.3Å; N329-P333 WeakPolarHBondContact O-CD 3.46Å; N329-P333 WeakPolarHBondContact O-CG 3.32Å
330Q94.4Very high92.9Very high103 Ų103103.3 Ų103.348%0.48149%0.489SS..Hα-helixtrans-80.6-36.1175.5-66.2-66.1-25.900112.4Y326 M327 N328Y326-Q330 HydrophobicContact CD1-CG 4.28Å; Y326-Q330 HydrophobicContact CE1-CG 3.87Å; Y326-Q330 WeakPolarHBondContact O-CG 3.5Å; Y326-Q330 PolarHBondContact O-N 2.85Å; Y326-Q330 VanDerWaalsContact O-N 3.08Å; Y326-Q330 PolarHBondContact OH-NE2 3.44Å; M327-Q330 WeakPolarHBondContact O-CB 3.18Å; M327-Q330 PolarHBondContact O-N 3.31Å; N328-Q330 VanDerWaalsContact C-N 3.28Å; N328-Q330 PolarHBondContact O-N 2.85Å
331V93.2Very high92.3Very high69 Ų69102.5 Ų102.542%0.41849%0.489SS..Hα-helixtrans-82.6-36.1-175.9173.10000111.9M327 N328 L334 L335M327-V331 WeakPolarHBondContact O-CB 3.06Å; M327-V331 WeakPolarHBondContact O-CG2 3.37Å; M327-V331 PolarHBondContact O-N 3.13Å; N328-V331 PolarHBondContact O-N 3.34Å; V331-L334 WeakPolarHBondContact O-CB 3.34Å; V331-L334 PolarHBondContact O-N 3.26Å; V331-L335 HydrophobicContact CG1-CD1 3.69Å; V331-L335 HydrophobicContact CG1-CG 3.81Å; V331-L335 PolarHBondContact O-N 3.48Å
332E93Very high91.4Very high80 Ų80104 Ų10437%0.37450%0.495SS..Hα-helixtrans-57.8-42.6-177-167.865.1-14900113.2N328 L335 K336N328-E332 WeakPolarHBondContact O-CB 3.29Å; N328-E332 PolarHBondContact O-N 3.08Å; E332-L335 PolarHBondContact O-N 2.97Å; E332-K336 VanDerWaalsContact O-CG 3.29Å; E332-K336 WeakPolarHBondContact O-CG 3.48Å; E332-K336 PolarHBondContact O-N 3.5Å
333P92.7Very high90.2Very high62 Ų62107.6 Ų107.640%0.40350%0.501SS..Hα-helixtrans-64-39.9173.1-2133.6000113.1N329 K336 Q337N329-P333 WeakPolarHBondContact O-CD 3.46Å; N329-P333 WeakPolarHBondContact O-CG 3.32Å; P333-K336 WeakPolarHBondContact O-CB 3.42Å; P333-K336 PolarHBondContact O-N 2.86Å; P333-Q337 WeakPolarHBondContact O-CG 3.45Å; P333-Q337 PolarHBondContact O-N 3.12Å
334L91.8Very high88.9Confident106 Ų106103.8 Ų103.856%0.55550%0.495SS*.Hα-helixtrans-66.3-41.9178.6-63.8176.1000111.2V331 K336 Q337 Y338V331-L334 WeakPolarHBondContact O-CB 3.34Å; V331-L334 PolarHBondContact O-N 3.26Å; L334-K336 VanDerWaalsContact C-N 3.32Å; L334-K336 PolarHBondContact O-N 3.06Å; L334-Q337 PolarHBondContact O-N 3.11Å; L334-Y338 WeakPolarHBondContact O-CB 3.48Å; L334-Y338 PolarHBondContact O-N 3.41Å
335L90.4Very high87.4Confident72 Ų72103.7 Ų103.738%0.37750%0.498SS..Hα-helixtrans-64-37.4173.4-71.9177.9000111.8V331 E332 Y338 R339V331-L335 HydrophobicContact CG1-CD1 3.69Å; V331-L335 HydrophobicContact CG1-CG 3.81Å; V331-L335 PolarHBondContact O-N 3.48Å; E332-L335 PolarHBondContact O-N 2.97Å; L335-Y338 PolarHBondContact O-N 3.41Å; L335-R339 WeakPolarHBondContact O-CB 3.42Å; L335-R339 VanDerWaalsContact O-CG 3.26Å; L335-R339 WeakPolarHBondContact O-CG 3.45Å; L335-R339 PolarHBondContact O-N 3.36Å
336K90Very high85.8Confident115 Ų115103 Ų10350%0.550%0.496SS..Hα-helixtrans-62.5-45.1173-76.3171.5-178.1174.40111.6E332 P333 L334 R339 I340E332-K336 VanDerWaalsContact O-CG 3.29Å; E332-K336 WeakPolarHBondContact O-CG 3.48Å; E332-K336 PolarHBondContact O-N 3.5Å; P333-K336 WeakPolarHBondContact O-CB 3.42Å; P333-K336 PolarHBondContact O-N 2.86Å; L334-K336 VanDerWaalsContact C-N 3.32Å; L334-K336 PolarHBondContact O-N 3.06Å; K336-R339 PolarHBondContact O-N 2.89Å; K336-I340 VanDerWaalsContact O-CG1 3.3Å; K336-I340 WeakPolarHBondContact O-CG1 3.46Å; K336-I340 PolarHBondContact O-N 2.97Å
337Q89.5Confident84.3Confident124 Ų124101.6 Ų101.658%0.57950%0.496SS*.Hα-helixtrans-62.6-45.4175.7-70.9-179.58.200111.6P333 L334 R339 I340 V341P333-Q337 WeakPolarHBondContact O-CG 3.45Å; P333-Q337 PolarHBondContact O-N 3.12Å; L334-Q337 PolarHBondContact O-N 3.11Å; Q337-R339 VanDerWaalsContact C-N 3.33Å; Q337-R339 PolarHBondContact O-N 3.44Å; Q337-I340 PolarHBondContact O-N 2.92Å; Q337-I340 VanDerWaalsContact O-N 3.11Å; Q337-V341 WeakPolarHBondContact O-CG2 3.26Å; Q337-V341 PolarHBondContact O-N 3Å
338Y84.9Confident82.8Confident144 Ų144101.1 Ų101.157%0.56550%0.499SS*.Hα-helixtrans-58.8-43.8175.9-177.4-99000111.8L334 L335 I340 V341 Q342L334-Y338 WeakPolarHBondContact O-CB 3.48Å; L334-Y338 PolarHBondContact O-N 3.41Å; L335-Y338 PolarHBondContact O-N 3.41Å; Y338-I340 VanDerWaalsContact C-N 3.32Å; Y338-I340 PolarHBondContact O-N 3.27Å; Y338-V341 PolarHBondContact O-N 2.73Å; Y338-Q342 VanDerWaalsContact CE1-OE1 3.3Å; Y338-Q342 VanDerWaalsContact O-CB 3.29Å; Y338-Q342 WeakPolarHBondContact O-CB 3.41Å; Y338-Q342 PolarHBondContact O-N 3.49Å
339R85.5Confident81.4Confident147 Ų147105 Ų10556%0.55551%0.512SS*.Hα-helixtrans-61.6-38.2174.8-74.8174.9-173.3156.95.3112.5L335 K336 Q337 R343L335-R339 WeakPolarHBondContact O-CB 3.42Å; L335-R339 VanDerWaalsContact O-CG 3.26Å; L335-R339 WeakPolarHBondContact O-CG 3.45Å; L335-R339 PolarHBondContact O-N 3.36Å; K336-R339 PolarHBondContact O-N 2.89Å; Q337-R339 VanDerWaalsContact C-N 3.33Å; Q337-R339 PolarHBondContact O-N 3.44Å; R339-R343 WeakPolarHBondContact O-CB 3.3Å; R339-R343 PolarHBondContact O-N 2.86Å; R339-R343 VanDerWaalsContact O-N 3.12Å
340I86.2Confident79.9Confident117 Ų117105.7 Ų105.760%0.651%0.511SS*.Hα-helixtrans-66.2-43177-69164.4000110.6K336 Q337 Y338 R343 P344K336-I340 VanDerWaalsContact O-CG1 3.3Å; K336-I340 WeakPolarHBondContact O-CG1 3.46Å; K336-I340 PolarHBondContact O-N 2.97Å; Q337-I340 PolarHBondContact O-N 2.92Å; Q337-I340 VanDerWaalsContact O-N 3.11Å; Y338-I340 VanDerWaalsContact C-N 3.32Å; Y338-I340 PolarHBondContact O-N 3.27Å; I340-R343 PolarHBondContact O-N 3.33Å; I340-P344 WeakPolarHBondContact O-CD 3.21Å
341V83.6Confident78.5Confident94 Ų94104 Ų10457%0.5751%0.51SS*.Hα-helixtrans-71.2-35.9178.71760000112Q337 Y338 R343 P344Q337-V341 WeakPolarHBondContact O-CG2 3.26Å; Q337-V341 PolarHBondContact O-N 3Å; Y338-V341 PolarHBondContact O-N 2.73Å; V341-R343 VanDerWaalsContact C-N 3.31Å; V341-R343 PolarHBondContact O-N 2.84Å; V341-P344 WeakPolarHBondContact O-CD 3.29Å; V341-P344 WeakPolarHBondContact O-CG 3.16Å
342Q78.6Confident77.2Confident92 Ų92104.4 Ų104.443%0.4351%0.513SS..Hα-helixtrans-72.9-24178-167174.432.100112.7Y338 D345 H346Y338-Q342 VanDerWaalsContact CE1-OE1 3.3Å; Y338-Q342 VanDerWaalsContact O-CB 3.29Å; Y338-Q342 WeakPolarHBondContact O-CB 3.41Å; Y338-Q342 PolarHBondContact O-N 3.49Å; Q342-D345 PolarHBondContact O-N 3.46Å; Q342-H346 PolarHBondContact O-N 3.28Å
343R72.6Confident76Confident171 Ų171102.4 Ų102.465%0.64551%0.514SS*.Hα-helixtrans-62.2-48.3179.4-151.5-176.9-152.5153.43.8113.5R339 I340 V341 D345 H346 L347R339-R343 WeakPolarHBondContact O-CB 3.3Å; R339-R343 PolarHBondContact O-N 2.86Å; R339-R343 VanDerWaalsContact O-N 3.12Å; I340-R343 PolarHBondContact O-N 3.33Å; V341-R343 VanDerWaalsContact C-N 3.31Å; V341-R343 PolarHBondContact O-N 2.84Å; R343-D345 VanDerWaalsContact C-N 3.33Å; R343-H346 PolarHBondContact O-N 3.32Å; R343-H346 PolarHBondContact O-ND1 3.05Å; R343-L347 WeakPolarHBondContact O-CG 3.44Å; R343-L347 PolarHBondContact O-N 3.39Å
344P69.1Low74.6Confident68 Ų68106.1 Ų106.144%0.44252%0.524SS..Hα-helixtrans-62.7-39.3173.521.2-29.9000111.6I340 V341 H346 L347 V348I340-P344 WeakPolarHBondContact O-CD 3.21Å; V341-P344 WeakPolarHBondContact O-CD 3.29Å; V341-P344 WeakPolarHBondContact O-CG 3.16Å; P344-H346 VanDerWaalsContact C-N 3.32Å; P344-H346 PolarHBondContact O-N 2.88Å; P344-L347 PolarHBondContact O-N 3.35Å; P344-L347 VanDerWaalsContact O-N 3.16Å; P344-V348 WeakPolarHBondContact O-CB 3.29Å; P344-V348 VanDerWaalsContact O-CG2 3.29Å; P344-V348 WeakPolarHBondContact O-CG2 2.92Å; P344-V348 PolarHBondContact O-N 3.39Å
345D64.2Low73.3Confident96 Ų96108.8 Ų108.851%0.51353%0.532SS..Hα-helixtrans-60.9-40175.9-72.5-10.4000112.4Q342 R343 K349Q342-D345 PolarHBondContact O-N 3.46Å; R343-D345 VanDerWaalsContact C-N 3.33Å; D345-K349 WeakPolarHBondContact O-CB 3.37Å; D345-K349 VanDerWaalsContact O-CG 3.32Å; D345-K349 WeakPolarHBondContact O-CG 3.49Å; D345-K349 PolarHBondContact O-N 2.92Å
346H62.4Low72.2Confident91 Ų91109.8 Ų109.842%0.42154%0.538SS..Hα-helixtrans-68.7-37.7175.9112.8-76.3000112.1Q342 R343 P344 K349 Q350Q342-H346 PolarHBondContact O-N 3.28Å; R343-H346 PolarHBondContact O-N 3.32Å; R343-H346 PolarHBondContact O-ND1 3.05Å; P344-H346 VanDerWaalsContact C-N 3.32Å; P344-H346 PolarHBondContact O-N 2.88Å; H346-K349 PolarHBondContact O-N 2.83Å; H346-Q350 WeakPolarHBondContact O-CB 3.31Å; H346-Q350 PolarHBondContact O-N 3.35Å
347L62.8Low71Confident94 Ų94108.8 Ų108.849%0.49254%0.538SS..Hα-helixtrans-68.4-39.6177.4-73.7173.2000111R343 P344 Q350 S351R343-L347 WeakPolarHBondContact O-CG 3.44Å; R343-L347 PolarHBondContact O-N 3.39Å; P344-L347 PolarHBondContact O-N 3.35Å; P344-L347 VanDerWaalsContact O-N 3.16Å; L347-Q350 PolarHBondContact O-N 3.16Å; L347-S351 WeakPolarHBondContact O-CB 3.32Å; L347-S351 PolarHBondContact O-N 3.34Å; L347-S351 PolarHBondContact O-OG 2.9Å
348V64.3Low69.9Low83 Ų83107.7 Ų107.750%0.50353%0.533SS..Hα-helixtrans-65.3-43.8174173.40000110.3P344 Q350 S351 V352P344-V348 WeakPolarHBondContact O-CB 3.29Å; P344-V348 VanDerWaalsContact O-CG2 3.29Å; P344-V348 WeakPolarHBondContact O-CG2 2.92Å; P344-V348 PolarHBondContact O-N 3.39Å; V348-Q350 VanDerWaalsContact C-N 3.3Å; V348-Q350 PolarHBondContact O-N 3.02Å; V348-S351 PolarHBondContact O-N 2.89Å; V348-S351 PolarHBondContact O-OG 3.14Å; V348-V352 HydrophobicContact CG1-CG2 4.14Å; V348-V352 WeakPolarHBondContact O-CB 3.48Å; V348-V352 WeakPolarHBondContact O-CG2 3.5Å; V348-V352 PolarHBondContact O-N 2.99Å
349K64.5Low68.7Low161 Ų161103.9 Ų103.970%0.753%0.527SS*.Hα-helixtrans-61.9-38.4174.8-76.4178.8-179.5-177.30112.4D345 H346 G353D345-K349 WeakPolarHBondContact O-CB 3.37Å; D345-K349 VanDerWaalsContact O-CG 3.32Å; D345-K349 WeakPolarHBondContact O-CG 3.49Å; D345-K349 PolarHBondContact O-N 2.92Å; H346-K349 PolarHBondContact O-N 2.83Å; K349-G353 PolarHBondContact O-N 3.11Å
350Q64.5Low67.3Low130 Ų130105.7 Ų105.761%0.60753%0.534SS*.Hα-helixtrans-69.7-39.6177.7-165.5172.644.300111.9H346 L347 V348 F354H346-Q350 WeakPolarHBondContact O-CB 3.31Å; H346-Q350 PolarHBondContact O-N 3.35Å; L347-Q350 PolarHBondContact O-N 3.16Å; V348-Q350 VanDerWaalsContact C-N 3.3Å; V348-Q350 PolarHBondContact O-N 3.02Å; Q350-F354 WeakPolarHBondContact O-CB 3.16Å; Q350-F354 PolarHBondContact O-N 3.37Å
351S65.3Low65.9Low67 Ų67106.2 Ų106.247%0.46953%0.532SS..Hα-helixtrans-69.9-39.8176.468.80000112.3L347 V348 F354 F355L347-S351 WeakPolarHBondContact O-CB 3.32Å; L347-S351 PolarHBondContact O-N 3.34Å; L347-S351 PolarHBondContact O-OG 2.9Å; V348-S351 PolarHBondContact O-N 2.89Å; V348-S351 PolarHBondContact O-OG 3.14Å; S351-F354 PolarHBondContact O-N 3.21Å; S351-F355 PolarHBondContact O-N 2.87Å
352V65Low64.5Low78 Ų78107.6 Ų107.647%0.47354%0.535SS..Hα-helixtrans-63.2-45.6174.9173.10000110.6V348 F354 F355 D356V348-V352 HydrophobicContact CG1-CG2 4.14Å; V348-V352 WeakPolarHBondContact O-CB 3.48Å; V348-V352 WeakPolarHBondContact O-CG2 3.5Å; V348-V352 PolarHBondContact O-N 2.99Å; V352-F354 VanDerWaalsContact C-N 3.29Å; V352-F354 PolarHBondContact O-N 3.36Å; V352-F355 WeakPolarHBondContact O-CB 3.49Å; V352-F355 PolarHBondContact O-N 2.98Å; V352-F355 VanDerWaalsContact O-N 3.11Å; V352-D356 PolarHBondContact O-N 3.25Å
353G67.5Low63.5Low39 Ų39108.2 Ų108.240%0.40255%0.545SS..Hα-helixtrans-61.3-36.5175.700000113.2K349 F355 D357K349-G353 PolarHBondContact O-N 3.11Å; G353-F355 VanDerWaalsContact C-N 3.34Å; G353-D357 WeakPolarHBondContact O-CB 3.48Å; G353-D357 PolarHBondContact O-N 3.3Å; G353-D357 VanDerWaalsContact O-N 3.14Å
354F64.9Low62.6Low140 Ų140105.2 Ų105.261%0.61455%0.546SS*.Hα-helixtrans-68.9-33.6175.3-154.8-92.6000112.5Q350 S351 V352 Q358Q350-F354 WeakPolarHBondContact O-CB 3.16Å; Q350-F354 PolarHBondContact O-N 3.37Å; S351-F354 PolarHBondContact O-N 3.21Å; V352-F354 VanDerWaalsContact C-N 3.29Å; V352-F354 PolarHBondContact O-N 3.36Å; F354-Q358 HydrophobicContact CD1-CG 4.29Å; F354-Q358 HydrophobicContact CE1-CG 4.31Å; F354-Q358 VanDerWaalsContact O-CG 3.31Å; F354-Q358 WeakPolarHBondContact O-CG 3.39Å; F354-Q358 PolarHBondContact O-N 2.97Å
355F63.9Low61.7Low162 Ų162111.5 Ų111.571%0.71156%0.562SS**Hα-helixtrans-70.8-42.2176.8-126.4-90000112S351 V352 G353 D357 Q358 S359S351-F355 PolarHBondContact O-N 2.87Å; V352-F355 WeakPolarHBondContact O-CB 3.49Å; V352-F355 PolarHBondContact O-N 2.98Å; V352-F355 VanDerWaalsContact O-N 3.11Å; G353-F355 VanDerWaalsContact C-N 3.34Å; F355-D357 VanDerWaalsContact C-N 3.35Å; F355-D357 PolarHBondContact O-N 3.32Å; F355-Q358 PolarHBondContact O-N 3.48Å; F355-S359 WeakPolarHBondContact O-CB 3.36Å; F355-S359 PolarHBondContact O-N 3.36Å
356D67.3Low61.1Low93 Ų93114.2 Ų114.250%0.49758%0.577SS.*Hα-helixtrans-60.8-45.2174.7-85.1-16.9000110.8V352 Q358 S359 W360V352-D356 PolarHBondContact O-N 3.25Å; D356-Q358 VanDerWaalsContact C-N 3.29Å; D356-Q358 PolarHBondContact O-N 3.34Å; D356-S359 WeakPolarHBondContact O-CB 3.48Å; D356-S359 PolarHBondContact O-N 3.31Å; D356-W360 PolarHBondContact O-N 3.49Å
357D63.9Low60.4Low94 Ų94112.5 Ų112.550%0.50358%0.584SS.*Hα-helixtrans-65.4-30.3-178.5-149.242.9000113G353 F355G353-D357 WeakPolarHBondContact O-CB 3.48Å; G353-D357 PolarHBondContact O-N 3.3Å; G353-D357 VanDerWaalsContact O-N 3.14Å; F355-D357 VanDerWaalsContact C-N 3.35Å; F355-D357 PolarHBondContact O-N 3.32Å
358Q66.7Low59.7Low101 Ų101118.5 Ų118.547%0.47260%0.602SS.*Hα-helixtrans-73-39.8170.6-73-87.1-33.100112.1F354 F355 D356 W360 K361 L362F354-Q358 HydrophobicContact CD1-CG 4.29Å; F354-Q358 HydrophobicContact CE1-CG 4.31Å; F354-Q358 VanDerWaalsContact O-CG 3.31Å; F354-Q358 WeakPolarHBondContact O-CG 3.39Å; F354-Q358 PolarHBondContact O-N 2.97Å; F355-Q358 PolarHBondContact O-N 3.48Å; D356-Q358 VanDerWaalsContact C-N 3.29Å; D356-Q358 PolarHBondContact O-N 3.34Å; Q358-W360 PolarHBondContact O-N 3.04Å; Q358-K361 PolarHBondContact O-N 2.98Å; Q358-L362 PolarHBondContact O-N 3.06Å
359S59.8Low58.7Low64 Ų64123.3 Ų123.345%0.44862%0.618SS.*Hα-helixtrans-62.3-42.5179.5-164.20000111.7F355 D356 K361 L362 V363F355-S359 WeakPolarHBondContact O-CB 3.36Å; F355-S359 PolarHBondContact O-N 3.36Å; D356-S359 WeakPolarHBondContact O-CB 3.48Å; D356-S359 PolarHBondContact O-N 3.31Å; S359-K361 VanDerWaalsContact C-N 3.3Å; S359-K361 PolarHBondContact O-N 2.97Å; S359-L362 PolarHBondContact O-N 3.33Å; S359-V363 PolarHBondContact O-N 3.49Å
360W56Low57.6Low184 Ų184123.2 Ų123.270%0.69763%0.626SS**Hα-helixtrans-61.6-35.3176.6-72.5108.3000113.1D356 Q358D356-W360 PolarHBondContact O-N 3.49Å; Q358-W360 PolarHBondContact O-N 3.04Å
361K56.9Low56.5Low129 Ų129123.3 Ų123.356%0.56164%0.635SS**Hα-helixtrans-69.3-37.6178.5-71177.6-174.5171.60112.5Q358 S359 T364Q358-K361 PolarHBondContact O-N 2.98Å; S359-K361 VanDerWaalsContact C-N 3.3Å; S359-K361 PolarHBondContact O-N 2.97Å; K361-T364 PolarHBondContact O-N 3.41Å; K361-T364 PolarHBondContact O-OG1 3.36Å
362L54.1Low55.7Low123 Ų123135 Ų13564%0.64467%0.672SS**Hα-helixtrans-69.5-36.3179.3-74.1169.1000112.7Q358 S359 T364 Y365Q358-L362 PolarHBondContact O-N 3.06Å; S359-L362 PolarHBondContact O-N 3.33Å; L362-T364 VanDerWaalsContact C-N 3.3Å; L362-T364 PolarHBondContact O-N 2.87Å; L362-Y365 PolarHBondContact O-N 3.29Å
363V57.8Low55.2Low105 Ų105137.9 Ų137.964%0.63668%0.681SS**Hα-helixtrans-66.6-33.4179.2176.70000111.7S359 Y365S359-V363 PolarHBondContact O-N 3.49Å; V363-Y365 VanDerWaalsContact C-N 3.29Å; V363-Y365 PolarHBondContact O-N 3.28Å
364T53.3Low54.6Low108 Ų108143.1 Ų143.166%0.66370%0.696SS**Hα-helixtrans-71.8-18.4179.657.90000114.6K361 L362K361-T364 PolarHBondContact O-N 3.41Å; K361-T364 PolarHBondContact O-OG1 3.36Å; L362-T364 VanDerWaalsContact C-N 3.3Å; L362-T364 PolarHBondContact O-N 2.87Å
365Y51.3Low54Low200 Ų200143.3 Ų143.378%0.78470%0.701SS**Hα-helixtrans-86.5-18.1-173-147.5-94.1000114.2L362 V363 G367L362-Y365 PolarHBondContact O-N 3.29Å; V363-Y365 VanDerWaalsContact C-N 3.29Å; V363-Y365 PolarHBondContact O-N 3.28Å; Y365-G367 PolarHBondContact O-N 3.41Å
366N51.7Low53.4Low152 Ų152142.2 Ų142.281%0.81370%0.7SS**THydrogen-bonded Turntrans-93.320.3-174.1-77.2-15.7000115
367G47.7Very low52.6Low56 Ų56145.3 Ų145.358%0.57771%0.713SS**SBendtrans-99.2-5.1-171.300000117.8Y365Y365-G367 PolarHBondContact O-N 3.41Å
368Y46.3Very low51.8Low220 Ų220148.7 Ų148.786%0.86373%0.727SS**  trans-138.871.9-169.2-69.6-80.6000113.2
369E43.9Very low50.8Low183 Ų183152.1 Ų152.186%0.85575%0.745SS**  trans-159.2109.6159.4-113.6170.2-155.600109.5
370N42.5Very low50.1Low160 Ų160158.8 Ų158.886%0.85677%0.768SS**  trans134.572.5159-70.2-36.9000113.7
371T40.6Very low49.6Very low131 Ų131156.8 Ų156.880%0.80477%0.774SS**  trans-139.499.7149.855.50000108.2
372Y48.6Very low48.9Very low314 Ų314159.3 Ų159.3100%1.23179%0.793SS**  trans-142.30153.1-97.8-74000108.9

Retrieved 372 of 372 residues in 581 ms (Link to these results)

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