A0A060D0N9_MAIZE Loading...

Agamous-like MADS-box protein AGL80

AlphaFold DB , UniProt , Accession A0A060D0N9, Species MAIZE (Zea mays, Maize), Gene MADS66, Length 287 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
1M64.7Low85.8Confident245 Ų245145.1 Ų145.1100%1.20770%0.7SS**  0129.90-61.8-175.3-158.900108.9
2A82.1Confident86.6Confident103 Ų103139.8 Ų139.885%0.85170%0.697SS**PPolyproline II helixtrans-65.6135.2175.900000110.2K4A2-K4 PolarHBondContact O-N 3.08Å
3R85.6Confident87.4Confident213 Ų213136.1 Ų136.180%0.80468%0.682SS**PPolyproline II helixtrans-69.6128.9177-167.2-179.8-165.9-125.54.5108.9
4K88Confident88Confident190 Ų190131.6 Ų131.683%0.82666%0.661SS**PPolyproline II helixtrans-58.6139.3173.3-67.6-174.9179.5-177.50110.2A2 V6A2-K4 PolarHBondContact O-N 3.08Å; K4-V6 PolarHBondContact O-N 3.07Å
5K87.5Confident88.5Confident204 Ų204128.1 Ų128.189%0.88765%0.654SS**PPolyproline II helixtrans-61.8127.4173.1-174.6176.9179.7-177.90108.8
6V88Confident89Confident62 Ų62124.5 Ų124.538%0.37664%0.64SS.*PPolyproline II helixtrans-87.7128.7178.8-179.80000108.9K4 L8K4-V6 PolarHBondContact O-N 3.07Å; V6-L8 PolarHBondContact O-N 3.39Å
7T88Confident89.4Confident96 Ų96120.2 Ų120.259%0.58961%0.614SS**PPolyproline II helixtrans-71.3120.4171.5-49.30000109.5Q9T7-Q9 VanDerWaalsContact C-N 3.33Å; T7-Q9 HydrophobicContact CG2-CB 4.31Å; T7-Q9 HydrophobicContact CG2-CG 3.82Å; T7-Q9 PolarHBondContact O-N 3.27Å; T7-Q9 VanDerWaalsContact O-N 3.16Å
8L85.7Confident89.7Confident99 Ų99121.4 Ų121.452%0.51861%0.609SS.*  trans-89.171.9-179.8-61.6-179.5000110.4V6 R94V6-L8 PolarHBondContact O-N 3.39Å; L8-R94 PolarHBondContact O-NH1 3.23Å; L8-R94 PolarHBondContact O-NH2 3.32Å
9Q89.4Confident90Very high144 Ų144118.2 Ų118.267%0.67360%0.603SS**SBendtrans-131.4169.1175.969.1-172.51100110.6T7 I11T7-Q9 VanDerWaalsContact C-N 3.33Å; T7-Q9 HydrophobicContact CG2-CB 4.31Å; T7-Q9 HydrophobicContact CG2-CG 3.82Å; T7-Q9 PolarHBondContact O-N 3.27Å; T7-Q9 VanDerWaalsContact O-N 3.16Å; Q9-I11 PolarHBondContact O-N 3.06Å
10W90.5Very high90.3Very high195 Ų195114 Ų11474%0.73958%0.584SS**  trans-57.1133172.3-178.5-108.1000110.8
11I93.9Very high90.5Very high45 Ų45111.9 Ų111.923%0.23157%0.57CS.*  trans-92.2104.7177.7-58.5174.5000107.3Q9 N13 T16 R17 T20Q9-I11 PolarHBondContact O-N 3.06Å; I11-N13 PolarHBondContact O-N 2.82Å; I11-T16 HydrophobicContact CG2-CG2 3.99Å; I11-R17 HydrophobicContact CB-CB 3.9Å; I11-R17 HydrophobicContact CB-CG 4.14Å; I11-R17 HydrophobicContact CG2-CB 3.93Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 2.73Å; I11-T20 HydrophobicContact CD1-CG2 3.8Å
12A96.2Very high92Very high81 Ų81106.7 Ų106.767%0.66954%0.541SS*.  trans-61.7-42.7-177.300000112.6D14 R17A12-D14 PolarHBondContact O-N 2.94Å; A12-R17 PolarHBondContact O-NH1 3.32Å
13N96.2Very high92.6Very high92 Ų92109.5 Ų109.549%0.49253%0.534SS..SBendtrans-69.7115.1178.3-177.8-76.5000111.5I11 S15 T16 R17I11-N13 PolarHBondContact O-N 2.82Å; N13-S15 PolarHBondContact O-N 3.27Å; N13-S15 PolarHBondContact OD1-N 3.15Å; N13-T16 PolarHBondContact O-N 3.28Å; N13-T16 WeakPolarHBondContact OD1-CB 3.24Å; N13-T16 PolarHBondContact OD1-N 3.33Å; N13-T16 PolarHBondContact OD1-OG1 3.22Å; N13-R17 WeakPolarHBondContact O-CB 3.25Å; N13-R17 PolarHBondContact O-N 3.04Å
14D95.9Very high93.1Very high74 Ų74105.2 Ų105.240%0.39652%0.518SS..Hα-helixtrans-58.6-45.7-176.8-80.414.3000114.6A12 T16 R17 R18A12-D14 PolarHBondContact O-N 2.94Å; D14-T16 VanDerWaalsContact C-N 3.35Å; D14-T16 PolarHBondContact O-N 3.27Å; D14-R17 VanDerWaalsContact CG-NH2 3.32Å; D14-R17 PolarHBondContact O-N 2.9Å; D14-R17 IonicContact OD1-CZ 2.75Å; D14-R17 IonicContact OD1-NH1 2.93Å; D14-R17 PolarHBondContact OD1-NH1 3.08Å; D14-R17 IonicContact OD1-NH2 3.92Å; D14-R17 PolarHBondContact OD1-NH2 3.21Å; D14-R17 IonicContact OD2-NH2 2.81Å; D14-R18 WeakPolarHBondContact O-CB 3.46Å; D14-R18 WeakPolarHBondContact O-CG 3.37Å; D14-R18 PolarHBondContact O-N 3.37Å; D14-R18 IonicContact OD2-NH1 2.77Å
15S96.3Very high93.6Very high78 Ų7897.9 Ų97.955%0.54549%0.485SS..Hα-helixtrans-61-46.7179.1178.60000110.9N13 R17 R18 A19N13-S15 PolarHBondContact O-N 3.27Å; N13-S15 PolarHBondContact OD1-N 3.15Å; S15-R17 PolarHBondContact O-N 3.04Å; S15-R18 PolarHBondContact O-N 2.88Å; S15-A19 WeakPolarHBondContact O-CB 3.41Å; S15-A19 PolarHBondContact O-N 3.29Å
16T95.8Very high94Very high71 Ų7195.9 Ų95.944%0.43648%0.476SS..Hα-helixtrans-65.6-39.4177.8-56.30000111.3I11 N13 D14 T20I11-T16 HydrophobicContact CG2-CG2 3.99Å; N13-T16 PolarHBondContact O-N 3.28Å; N13-T16 WeakPolarHBondContact OD1-CB 3.24Å; N13-T16 PolarHBondContact OD1-N 3.33Å; N13-T16 PolarHBondContact OD1-OG1 3.22Å; D14-T16 VanDerWaalsContact C-N 3.35Å; D14-T16 PolarHBondContact O-N 3.27Å; T16-T20 WeakPolarHBondContact O-CB 3.39Å; T16-T20 PolarHBondContact O-N 2.99Å; T16-T20 PolarHBondContact O-OG1 3.23Å
17R95.7Very high94.5Very high51 Ų5194.3 Ų94.319%0.19247%0.473CS..Hα-helixtrans-62.6-49.6176.4-172.3169.965.4-106.83110.9I11 A12 N13 D14 S15 T20 F21I11-R17 HydrophobicContact CB-CB 3.9Å; I11-R17 HydrophobicContact CB-CG 4.14Å; I11-R17 HydrophobicContact CG2-CB 3.93Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 2.73Å; A12-R17 PolarHBondContact O-NH1 3.32Å; N13-R17 WeakPolarHBondContact O-CB 3.25Å; N13-R17 PolarHBondContact O-N 3.04Å; D14-R17 VanDerWaalsContact CG-NH2 3.32Å; D14-R17 PolarHBondContact O-N 2.9Å; D14-R17 IonicContact OD1-CZ 2.75Å; D14-R17 IonicContact OD1-NH1 2.93Å; D14-R17 PolarHBondContact OD1-NH1 3.08Å; D14-R17 IonicContact OD1-NH2 3.92Å; D14-R17 PolarHBondContact OD1-NH2 3.21Å; D14-R17 IonicContact OD2-NH2 2.81Å; S15-R17 PolarHBondContact O-N 3.04Å; R17-T20 PolarHBondContact O-N 3.46Å; R17-F21 WeakPolarHBondContact O-CB 3.31Å; R17-F21 PolarHBondContact O-N 3.01Å
18R95.1Very high94.9Very high143 Ų14393.8 Ų93.854%0.5447%0.466SS..Hα-helixtrans-61.9-46.6177.7-72.8-173.2-73.8-101.33.3112.3D14 S15 T20 F21 K22D14-R18 WeakPolarHBondContact O-CB 3.46Å; D14-R18 WeakPolarHBondContact O-CG 3.37Å; D14-R18 PolarHBondContact O-N 3.37Å; D14-R18 IonicContact OD2-NH1 2.77Å; S15-R18 PolarHBondContact O-N 2.88Å; R18-T20 VanDerWaalsContact C-N 3.34Å; R18-T20 PolarHBondContact O-N 3.42Å; R18-F21 PolarHBondContact O-N 2.88Å; R18-K22 WeakPolarHBondContact O-CG 3.36Å; R18-K22 PolarHBondContact O-N 3.13Å
19A95.8Very high95.5Very high59 Ų5989.8 Ų89.849%0.48845%0.445SS..Hα-helixtrans-62.3-42176.600000111.9S15 K23S15-A19 WeakPolarHBondContact O-CB 3.41Å; S15-A19 PolarHBondContact O-N 3.29Å; A19-K23 WeakPolarHBondContact O-CB 3.33Å; A19-K23 PolarHBondContact O-N 3.41Å
20T95.2Very high95.9Very high35 Ų3589.3 Ų89.322%0.21544%0.441CS..Hα-helixtrans-65.4-41.6176.6-61.70000111.6I11 T16 R17 R18 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.8Å; T16-T20 WeakPolarHBondContact O-CB 3.39Å; T16-T20 PolarHBondContact O-N 2.99Å; T16-T20 PolarHBondContact O-OG1 3.23Å; R17-T20 PolarHBondContact O-N 3.46Å; R18-T20 VanDerWaalsContact C-N 3.34Å; R18-T20 PolarHBondContact O-N 3.42Å; T20-K23 PolarHBondContact O-N 2.67Å; T20-R24 HydrophobicContact CG2-CG 4.07Å; T20-R24 VanDerWaalsContact O-CB 3.32Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 VanDerWaalsContact O-CG 3.28Å; T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 3.32Å
21F95.7Very high96.2Very high70 Ų7087 Ų8731%0.30744%0.436SS..Hα-helixtrans-58.8-53.9175.9175.1-104.3000110.9R17 R18 K23 R24 R25 V47R17-F21 WeakPolarHBondContact O-CB 3.31Å; R17-F21 PolarHBondContact O-N 3.01Å; R18-F21 PolarHBondContact O-N 2.88Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.41Å; F21-R24 PolarHBondContact O-N 2.89Å; F21-R24 VanDerWaalsContact O-N 3.15Å; F21-R25 VanDerWaalsContact CE1-NH1 3.28Å; F21-R25 VanDerWaalsContact O-CB 3.3Å; F21-R25 WeakPolarHBondContact O-CB 3.3Å; F21-R25 PolarHBondContact O-N 3.46Å; F21-V47 HydrophobicContact CE2-CG1 4.01Å; F21-V47 HydrophobicContact CZ-CG1 3.87Å
22K95.4Very high96.4Very high135 Ų13585.4 Ų85.459%0.58743%0.429SS*.Hα-helixtrans-54.5-45.5176.7-70.1-177.8179.7-173.50112.2R18 K26R18-K22 WeakPolarHBondContact O-CG 3.36Å; R18-K22 PolarHBondContact O-N 3.13Å; K22-K26 PolarHBondContact O-N 3.45Å; K22-K26 VanDerWaalsContact O-N 3.12Å
23K95.9Very high96.4Very high162 Ų16283.8 Ų83.870%0.70441%0.413SS*.Hα-helixtrans-66-42.6178.7-173.1173.7-176.3170.30112.7A19 T20 F21 G27A19-K23 WeakPolarHBondContact O-CB 3.33Å; A19-K23 PolarHBondContact O-N 3.41Å; T20-K23 PolarHBondContact O-N 2.67Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.41Å; K23-G27 PolarHBondContact O-N 3.32Å
24R96.1Very high96.5Very high123 Ų12383.6 Ų83.646%0.46441%0.409SS..Hα-helixtrans-71.1-39179.6-74.2-176.4-172.9-174.97.3111.6T20 F21 G27 L28T20-R24 HydrophobicContact CG2-CG 4.07Å; T20-R24 VanDerWaalsContact O-CB 3.32Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 VanDerWaalsContact O-CG 3.28Å; T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 3.32Å; F21-R24 PolarHBondContact O-N 2.89Å; F21-R24 VanDerWaalsContact O-N 3.15Å; R24-G27 CarbonylContact O-C 3.56Å; R24-G27 PolarHBondContact O-N 2.97Å; R24-L28 WeakPolarHBondContact O-CB 3.44Å; R24-L28 PolarHBondContact O-N 2.93Å
25R96.8Very high96.6Very high36 Ų3684.8 Ų84.814%0.13642%0.415CS..Hα-helixtrans-58.8-53.3175-172.4173.575.2-168.18.2110.9F21 G27 L28 M29 V47 E52 E56F21-R25 VanDerWaalsContact CE1-NH1 3.28Å; F21-R25 VanDerWaalsContact O-CB 3.3Å; F21-R25 WeakPolarHBondContact O-CB 3.3Å; F21-R25 PolarHBondContact O-N 3.46Å; R25-G27 VanDerWaalsContact C-N 3.28Å; R25-G27 PolarHBondContact O-N 3.09Å; R25-L28 WeakPolarHBondContact O-CB 3.34Å; R25-L28 PolarHBondContact O-N 3.18Å; R25-M29 WeakPolarHBondContact O-CG 3.39Å; R25-M29 PolarHBondContact O-N 3.32Å; R25-V47 HydrophobicContact CG-CB 4.21Å; R25-V47 HydrophobicContact CG-CG1 4.07Å; R25-V47 HydrophobicContact CG-CG2 4.32Å; R25-E52 IonicContact CZ-OE1 3.97Å; R25-E52 IonicContact CZ-OE2 3.85Å; R25-E52 IonicContact NH1-OE1 3.85Å; R25-E52 PolarHBondContact NH1-OE1 2.8Å; R25-E52 IonicContact NH1-OE2 3.68Å; R25-E52 PolarHBondContact NH1-OE2 2.96Å; R25-E52 IonicContact NH2-OE1 2.67Å; R25-E56 IonicContact CZ-OE2 3.82Å; R25-E56 IonicContact NE-OE1 2.68Å; R25-E56 IonicContact NE-OE2 3.14Å; R25-E56 PolarHBondContact NE-OE2 3.1Å; R25-E56 IonicContact NH1-OE2 3.78Å; R25-E56 IonicContact NH2-OE2 2.96Å; R25-E56 PolarHBondContact NH2-OE2 2.93Å
26K96.9Very high96.7Very high162 Ų16281.7 Ų81.770%0.70440%0.395SS*.Hα-helixtrans-57-41.4173.9-174.6173-176.81710112.7K22 L28 K30K22-K26 PolarHBondContact O-N 3.45Å; K22-K26 VanDerWaalsContact O-N 3.12Å; K26-L28 VanDerWaalsContact C-N 3.35Å; K26-K30 WeakPolarHBondContact O-CB 3.47Å; K26-K30 PolarHBondContact O-N 3.35Å; K26-K30 VanDerWaalsContact O-N 3.07Å
27G97.4Very high96.7Very high30 Ų3083.6 Ų83.631%0.30941%0.406SS..Hα-helixtrans-65.7-34.6176.500000113.7K23 R24 R25 K31K23-G27 PolarHBondContact O-N 3.32Å; R24-G27 CarbonylContact O-C 3.56Å; R24-G27 PolarHBondContact O-N 2.97Å; R25-G27 VanDerWaalsContact C-N 3.28Å; R25-G27 PolarHBondContact O-N 3.09Å; G27-K31 VanDerWaalsContact O-CG 3.29Å; G27-K31 WeakPolarHBondContact O-CG 3.41Å; G27-K31 PolarHBondContact O-N 3.26Å; G27-K31 VanDerWaalsContact O-N 3.13Å
28L97.5Very high96.8Very high84 Ų8488.2 Ų88.244%0.4443%0.434SS..Hα-helixtrans-68-49175.8179.763.6000110.7R24 R25 K26 K30 K31 A32 V45 V47R24-L28 WeakPolarHBondContact O-CB 3.44Å; R24-L28 PolarHBondContact O-N 2.93Å; R25-L28 WeakPolarHBondContact O-CB 3.34Å; R25-L28 PolarHBondContact O-N 3.18Å; K26-L28 VanDerWaalsContact C-N 3.35Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.27Å; L28-K31 PolarHBondContact O-N 3.29Å; L28-K31 VanDerWaalsContact O-N 3.15Å; L28-A32 PolarHBondContact O-N 3.21Å; L28-V45 HydrophobicContact CD2-CG1 3.81Å; L28-V45 HydrophobicContact CG-CG1 4.16Å; L28-V47 HydrophobicContact CD2-CG2 4.12Å
29M97.1Very high96.9Very high15 Ų1585 Ų857%0.07443%0.433CS..Hα-helixtrans-59-44.2177.8-59.2-42.8-162.200111.5R25 K31 A32 S33 V45 V47 E56 W58R25-M29 WeakPolarHBondContact O-CG 3.39Å; R25-M29 PolarHBondContact O-N 3.32Å; M29-K31 PolarHBondContact O-N 3.46Å; M29-A32 PolarHBondContact O-N 3.04Å; M29-S33 PolarHBondContact O-N 3.48Å; M29-V45 HydrophobicContact CE-CB 4.29Å; M29-V45 HydrophobicContact CE-CG1 3.97Å; M29-V45 HydrophobicContact SD-CB 3.67Å; M29-V45 HydrophobicContact SD-CG1 3.57Å; M29-V45 VanDerWaalsContact SD-CG1 3.57Å; M29-V45 HydrophobicContact SD-CG2 4.44Å; M29-V47 HydrophobicContact CE-CB 4.37Å; M29-V47 HydrophobicContact CE-CG2 3.82Å; M29-E56 HydrophobicContact CE-CB 4.1Å; M29-E56 HydrophobicContact CE-CG 4.02Å; M29-E56 WeakPolarHBondContact CE-O 3.45Å; M29-W58 HydrophobicContact CB-CB 4.43Å; M29-W58 HydrophobicContact CE-CB 4.24Å; M29-W58 HydrophobicContact CG-CB 4.32Å; M29-W58 HydrophobicContact SD-CB 3.59Å; M29-W58 VanDerWaalsContact SD-CB 3.59Å
30K97.9Very high97Very high135 Ų13589.5 Ų89.559%0.58745%0.449SS*.Hα-helixtrans-58.6-45.7175.6-179.3173.1171172.50112.1K26 L28 S33 E34K26-K30 WeakPolarHBondContact O-CB 3.47Å; K26-K30 PolarHBondContact O-N 3.35Å; K26-K30 VanDerWaalsContact O-N 3.07Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.27Å; K30-S33 PolarHBondContact O-N 3.44Å; K30-E34 WeakPolarHBondContact CE-OE1 3.36Å; K30-E34 IonicContact NZ-OE1 3.76Å; K30-E34 WeakPolarHBondContact O-CG 3.35Å; K30-E34 PolarHBondContact O-N 2.96Å
31K98.1Very high97Very high146 Ų14691 Ų9164%0.63546%0.458SS*.Hα-helixtrans-66.9-38179.3-76.4180174.1-156.30113G27 L28 M29 S33 E34 L35G27-K31 VanDerWaalsContact O-CG 3.29Å; G27-K31 WeakPolarHBondContact O-CG 3.41Å; G27-K31 PolarHBondContact O-N 3.26Å; G27-K31 VanDerWaalsContact O-N 3.13Å; L28-K31 PolarHBondContact O-N 3.29Å; L28-K31 VanDerWaalsContact O-N 3.15Å; M29-K31 PolarHBondContact O-N 3.46Å; K31-S33 VanDerWaalsContact C-N 3.33Å; K31-E34 PolarHBondContact O-N 3.06Å; K31-L35 VanDerWaalsContact O-CB 3.31Å; K31-L35 WeakPolarHBondContact O-CB 3.32Å; K31-L35 PolarHBondContact O-N 3.46Å
32A97.3Very high97Very high12 Ų1292.3 Ų92.310%0.09947%0.467CS..Hα-helixtrans-62.9-43.2175.300000110.8L28 M29 L35 A36 V45 W58L28-A32 PolarHBondContact O-N 3.21Å; M29-A32 PolarHBondContact O-N 3.04Å; A32-L35 PolarHBondContact O-N 3.44Å; A32-A36 WeakPolarHBondContact O-CB 3.39Å; A32-A36 PolarHBondContact O-N 3.02Å; A32-V45 HydrophobicContact CB-CG2 3.52Å; A32-W58 HydrophobicContact CB-CD2 4.32Å; A32-W58 HydrophobicContact CB-CE3 3.72Å; A32-W58 HydrophobicContact CB-CZ3 3.83Å
33S97.4Very high97Very high47 Ų4787.2 Ų87.233%0.32945%0.451SS..Hα-helixtrans-60.9-48173.4-172.40000112.9M29 K30 K31 L35 A36 T37M29-S33 PolarHBondContact O-N 3.48Å; K30-S33 PolarHBondContact O-N 3.44Å; K31-S33 VanDerWaalsContact C-N 3.33Å; S33-L35 VanDerWaalsContact C-N 3.34Å; S33-L35 PolarHBondContact O-N 3.39Å; S33-A36 PolarHBondContact O-N 3.46Å; S33-T37 WeakPolarHBondContact O-CB 3.26Å; S33-T37 PolarHBondContact O-N 3.16Å; S33-T37 PolarHBondContact O-OG1 2.92Å
34E98.4Very high97Very high88 Ų8881.3 Ų81.341%0.41143%0.429SS..Hα-helixtrans-60.6-43.8177.7-73.1170.7175.700111.4K30 K31 T37 L38K30-E34 WeakPolarHBondContact CE-OE1 3.36Å; K30-E34 IonicContact NZ-OE1 3.76Å; K30-E34 WeakPolarHBondContact O-CG 3.35Å; K30-E34 PolarHBondContact O-N 2.96Å; K31-E34 PolarHBondContact O-N 3.06Å; E34-T37 PolarHBondContact O-N 3.45Å; E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.25Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 3.34Å
35L97.6Very high97.1Very high98 Ų9876.7 Ų76.751%0.51342%0.415SS..Hα-helixtrans-63.6-48.1178.8-178.866.8000111.9K31 A32 S33 T37 L38 C39K31-L35 VanDerWaalsContact O-CB 3.31Å; K31-L35 WeakPolarHBondContact O-CB 3.32Å; K31-L35 PolarHBondContact O-N 3.46Å; A32-L35 PolarHBondContact O-N 3.44Å; S33-L35 VanDerWaalsContact C-N 3.34Å; S33-L35 PolarHBondContact O-N 3.39Å; L35-T37 VanDerWaalsContact C-N 3.32Å; L35-T37 PolarHBondContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 3.18Å; L35-C39 WeakPolarHBondContact O-CB 3.37Å; L35-C39 PolarHBondContact O-N 3Å
36A96.9Very high97Very high14 Ų1477.1 Ų77.112%0.11642%0.421CS..Hα-helixtrans-60.7-42.4179.100000111.7A32 S33 D40 V41 A43 W58A32-A36 WeakPolarHBondContact O-CB 3.39Å; A32-A36 PolarHBondContact O-N 3.02Å; S33-A36 PolarHBondContact O-N 3.46Å; A36-D40 VanDerWaalsContact O-CA 3.27Å; A36-D40 WeakPolarHBondContact O-CA 3.48Å; A36-D40 PolarHBondContact O-N 3.01Å; A36-V41 WeakPolarHBondContact CB-O 3.34Å; A36-V41 PolarHBondContact O-N 3.29Å; A36-A43 HydrophobicContact CB-CB 4.41Å; A36-W58 HydrophobicContact CB-CH2 3.59Å; A36-W58 HydrophobicContact CB-CZ2 4.45Å; A36-W58 HydrophobicContact CB-CZ3 4.43Å
37T96.4Very high97Very high111 Ų11170.4 Ų70.468%0.68139%0.394SS*.Hα-helixtrans-69.9-43.3178-58.80000112.7S33 E34 L35S33-T37 WeakPolarHBondContact O-CB 3.26Å; S33-T37 PolarHBondContact O-N 3.16Å; S33-T37 PolarHBondContact O-OG1 2.92Å; E34-T37 PolarHBondContact O-N 3.45Å; L35-T37 VanDerWaalsContact C-N 3.32Å; L35-T37 PolarHBondContact O-N 3.07Å
38L98.1Very high96.8Very high147 Ų14774 Ų7477%0.7740%0.399SS*.Hα-helixtrans-73.6-30.3-175.9-72.8173.8000113.2E34 L35E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.25Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 3.34Å; L35-L38 PolarHBondContact O-N 3.18Å
39C97.8Very high96.6Very high77 Ų7770.5 Ų70.552%0.5238%0.383SS..Hα-helixtrans-106.1-0.9-177-61.90000113.5L35 V41L35-C39 WeakPolarHBondContact O-CB 3.37Å; L35-C39 PolarHBondContact O-N 3Å; C39-V41 VanDerWaalsContact C-N 3.3Å; C39-V41 HydrophobicContact CB-CG1 3.96Å; C39-V41 HydrophobicContact CB-CG2 4.09Å; C39-V41 WeakPolarHBondContact O-CG1 3.23Å; C39-V41 PolarHBondContact O-N 3.46Å
40D96.9Very high96.2Very high153 Ų15377.6 Ų77.682%0.81842%0.421SS*.THydrogen-bonded Turntrans49.551.4-174.2-165.433.4000112A36A36-D40 VanDerWaalsContact O-CA 3.27Å; A36-D40 WeakPolarHBondContact O-CA 3.48Å; A36-D40 PolarHBondContact O-N 3.01Å
41V95.8Very high95.7Very high67 Ų6775 Ų7541%0.40643%0.433SS..  trans-117.3139.9-177.8-63.80000111.8A36 C39 A43A36-V41 WeakPolarHBondContact CB-O 3.34Å; A36-V41 PolarHBondContact O-N 3.29Å; C39-V41 VanDerWaalsContact C-N 3.3Å; C39-V41 HydrophobicContact CB-CG1 3.96Å; C39-V41 HydrophobicContact CB-CG2 4.09Å; C39-V41 WeakPolarHBondContact O-CG1 3.23Å; C39-V41 PolarHBondContact O-N 3.46Å; V41-A43 PolarHBondContact O-N 3.26Å
42D94.9Very high95.3Very high96 Ų9671.5 Ų71.551%0.51342%0.419SS..  trans-69.1119.9169.9-71.6-35.9000110.2V68 R71D42-V68 HydrophobicContact CB-CG2 4.09Å; D42-R71 IonicContact OD2-NH1 2.9Å; D42-R71 PolarHBondContact OD2-NH1 3.38Å
43A95.7Very high95Very high28 Ų2875.1 Ų75.123%0.23144%0.443CS..  trans-143.5153177.700000110.7A36 V41 W58A36-A43 HydrophobicContact CB-CB 4.41Å; V41-A43 PolarHBondContact O-N 3.26Å; A43-W58 HydrophobicContact CB-CZ3 4.05Å; A43-W58 VanDerWaalsContact O-CZ3 3.29Å; A43-W58 WeakPolarHBondContact O-CZ3 3.34Å
44C96.8Very high94.7Very high38 Ų3877 Ų7726%0.25745%0.447SS..  trans-143.1154.5171.663.20000110.1W58 A65 V68 L69C44-W58 CarbonylContact C-O 3.57Å; C44-W58 WeakPolarHBondContact CA-O 3.21Å; C44-W58 WeakPolarHBondContact CB-O 3.49Å; C44-A65 HydrophobicContact CB-CB 4.06Å; C44-V68 HydrophobicContact CB-CB 4.25Å; C44-V68 HydrophobicContact CB-CG1 4.34Å; C44-L69 HydrophobicContact CB-CD1 4.32Å; C44-L69 WeakPolarHBondContact SG-CD1 3.12Å
45V97Very high94.5Very high26 Ų2673.6 Ų73.616%0.15843%0.432CS..EExtended strand (participates in β ladder)trans-132.6132.8175-178.20000108.6L28 M29 A32 V47 V57 W58L28-V45 HydrophobicContact CD2-CG1 3.81Å; L28-V45 HydrophobicContact CG-CG1 4.16Å; M29-V45 HydrophobicContact CE-CB 4.29Å; M29-V45 HydrophobicContact CE-CG1 3.97Å; M29-V45 HydrophobicContact SD-CB 3.67Å; M29-V45 HydrophobicContact SD-CG1 3.57Å; M29-V45 VanDerWaalsContact SD-CG1 3.57Å; M29-V45 HydrophobicContact SD-CG2 4.44Å; A32-V45 HydrophobicContact CB-CG2 3.52Å; V45-V47 HydrophobicContact CG1-CG2 3.75Å; V45-V57 CarbonylContact O-C 3.6Å; V45-V57 WeakPolarHBondContact O-CA 3.31Å; V45-W58 HydrophobicContact CB-CB 4.46Å; V45-W58 HydrophobicContact CG2-CE3 4.35Å; V45-W58 PolarHBondContact N-O 3.38Å; V45-W58 PolarHBondContact O-N 2.95Å
46V96Very high94.3Very high45 Ų4572.3 Ų72.327%0.27342%0.424SS..EExtended strand (participates in β ladder)trans-124.1121.9174.6-177.70000107.5Y48 P55 V57V46-Y48 HydrophobicContact CG1-CD2 4.45Å; V46-Y48 HydrophobicContact CG1-CE2 3.77Å; V46-P55 HydrophobicContact CG1-CB 3.76Å; V46-P55 HydrophobicContact CG1-CG 4.03Å; V46-V57 HydrophobicContact CG1-CG2 4.31Å; V46-V57 HydrophobicContact CG2-CG1 4.33Å; V46-V57 HydrophobicContact CG2-CG2 4.31Å
47V95.6Very high94.3Very high22 Ų2272.5 Ų72.513%0.13342%0.423CS..EExtended strand (participates in β ladder)trans-125121-179.2-174.50000110.3F21 R25 L28 M29 V45 P55 E56F21-V47 HydrophobicContact CE2-CG1 4.01Å; F21-V47 HydrophobicContact CZ-CG1 3.87Å; R25-V47 HydrophobicContact CG-CB 4.21Å; R25-V47 HydrophobicContact CG-CG1 4.07Å; R25-V47 HydrophobicContact CG-CG2 4.32Å; L28-V47 HydrophobicContact CD2-CG2 4.12Å; M29-V47 HydrophobicContact CE-CB 4.37Å; M29-V47 HydrophobicContact CE-CG2 3.82Å; V45-V47 HydrophobicContact CG1-CG2 3.75Å; V47-P55 CarbonylContact O-C 3.49Å; V47-P55 VanDerWaalsContact O-CA 3.27Å; V47-P55 WeakPolarHBondContact O-CA 3.35Å; V47-P55 WeakPolarHBondContact O-CB 3.4Å; V47-E56 PolarHBondContact N-O 2.85Å; V47-E56 PolarHBondContact O-N 3.11Å
48Y94.6Very high94.3Very high106 Ų10669.1 Ų69.142%0.41640%0.398SS..PPolyproline II helixtrans-88.8130.9169.5-63.5-90.8000109.8V46 P55 A228V46-Y48 HydrophobicContact CG1-CD2 4.45Å; V46-Y48 HydrophobicContact CG1-CE2 3.77Å; Y48-P55 HydrophobicContact CD1-CB 3.79Å; Y48-P55 HydrophobicContact CD1-CG 4.29Å; Y48-P55 HydrophobicContact CD2-CB 4.37Å; Y48-P55 HydrophobicContact CE1-CB 3.7Å; Y48-P55 HydrophobicContact CE1-CG 3.72Å; Y48-P55 HydrophobicContact CE2-CB 4.28Å; Y48-P55 HydrophobicContact CG-CB 4.12Å; Y48-A228 HydrophobicContact CE1-CB 4.35Å; Y48-A228 WeakPolarHBondContact OH-CB 3.43Å
49G91.9Very high94.2Very high10 Ų1063 Ų6310%0.10337%0.367CS..PPolyproline II helixtrans-98147.7169.700000111.6G51 E52G49-G51 PolarHBondContact O-N 3.43Å; G49-E52 WeakPolarHBondContact CA-OE2 3.28Å; G49-E52 PolarHBondContact N-OE2 2.89Å; G49-E52 PolarHBondContact O-N 3.19Å; G49-E52 VanDerWaalsContact O-N 3.09Å
50D88.5Confident94Very high164 Ų16466.4 Ų66.488%0.87738%0.38SS*.THydrogen-bonded Turntrans-62.6125.6171.7-17423.1000110.2E52D50-E52 VanDerWaalsContact C-N 3.26Å; D50-E52 PolarHBondContact O-N 2.88Å
51G87.1Confident93.8Very high81 Ų8163.6 Ų63.684%0.83537%0.365SS*.THydrogen-bonded Turntrans74.83.1-174.300000115.8G49G49-G51 PolarHBondContact O-N 3.43Å
52E90.2Very high93.7Very high72 Ų7263.2 Ų63.234%0.33636%0.363SS..  trans-90.7129.5176.2-62.8179.8171.900110.2R25 G49 D50R25-E52 IonicContact CZ-OE1 3.97Å; R25-E52 IonicContact CZ-OE2 3.85Å; R25-E52 IonicContact NH1-OE1 3.85Å; R25-E52 PolarHBondContact NH1-OE1 2.8Å; R25-E52 IonicContact NH1-OE2 3.68Å; R25-E52 PolarHBondContact NH1-OE2 2.96Å; R25-E52 IonicContact NH2-OE1 2.67Å; G49-E52 WeakPolarHBondContact CA-OE2 3.28Å; G49-E52 PolarHBondContact N-OE2 2.89Å; G49-E52 PolarHBondContact O-N 3.19Å; G49-E52 VanDerWaalsContact O-N 3.09Å; D50-E52 VanDerWaalsContact C-N 3.26Å; D50-E52 PolarHBondContact O-N 2.88Å
53S90.7Very high93.6Very high87 Ų8761.9 Ų61.961%0.60837%0.365SS*.SBendtrans-77.7-23.3-179.956.30000113.5
54Q91.9Very high93.6Very high88 Ų8865.3 Ų65.341%0.41138%0.375SS..SBendtrans-127.4137.5-179.4-65.4-179.6-8.400109.1
55P93.7Very high93.5Very high16 Ų1663.5 Ų63.510%0.10436%0.363CS..  trans-72.9152174.231.2-32.4000110.6V46 V47 Y48 V57 L224V46-P55 HydrophobicContact CG1-CB 3.76Å; V46-P55 HydrophobicContact CG1-CG 4.03Å; V47-P55 CarbonylContact O-C 3.49Å; V47-P55 VanDerWaalsContact O-CA 3.27Å; V47-P55 WeakPolarHBondContact O-CA 3.35Å; V47-P55 WeakPolarHBondContact O-CB 3.4Å; Y48-P55 HydrophobicContact CD1-CB 3.79Å; Y48-P55 HydrophobicContact CD1-CG 4.29Å; Y48-P55 HydrophobicContact CD2-CB 4.37Å; Y48-P55 HydrophobicContact CE1-CB 3.7Å; Y48-P55 HydrophobicContact CE1-CG 3.72Å; Y48-P55 HydrophobicContact CE2-CB 4.28Å; Y48-P55 HydrophobicContact CG-CB 4.12Å; P55-V57 HydrophobicContact CG-CG2 4.24Å; P55-L224 HydrophobicContact CG-CD1 3.63Å; P55-L224 HydrophobicContact CG-CD2 4.35Å; P55-L224 HydrophobicContact CG-CG 4.32Å
56E94.2Very high93.4Very high71 Ų7163.8 Ų63.833%0.33237%0.368SS..EExtended strand (participates in β ladder)trans-80.2126164.6-163174.5125.500108.2R25 M29 V47R25-E56 IonicContact CZ-OE2 3.82Å; R25-E56 IonicContact NE-OE1 2.68Å; R25-E56 IonicContact NE-OE2 3.14Å; R25-E56 PolarHBondContact NE-OE2 3.1Å; R25-E56 IonicContact NH1-OE2 3.78Å; R25-E56 IonicContact NH2-OE2 2.96Å; R25-E56 PolarHBondContact NH2-OE2 2.93Å; M29-E56 HydrophobicContact CE-CB 4.1Å; M29-E56 HydrophobicContact CE-CG 4.02Å; M29-E56 WeakPolarHBondContact CE-O 3.45Å; V47-E56 PolarHBondContact N-O 2.85Å; V47-E56 PolarHBondContact O-N 3.11Å
57V96.2Very high93.5Very high18 Ų1868 Ų6811%0.10939%0.385CS..EExtended strand (participates in β ladder)trans-116.6136.2-177.5-177.80000109.1V45 V46 P55 A65V45-V57 CarbonylContact O-C 3.6Å; V45-V57 WeakPolarHBondContact O-CA 3.31Å; V46-V57 HydrophobicContact CG1-CG2 4.31Å; V46-V57 HydrophobicContact CG2-CG1 4.33Å; V46-V57 HydrophobicContact CG2-CG2 4.31Å; P55-V57 HydrophobicContact CG-CG2 4.24Å; V57-A65 HydrophobicContact CG1-CB 3.59Å
58W97.3Very high93.5Very high40 Ų4068.1 Ų68.115%0.15239%0.385CS..EExtended strand (participates in β ladder)trans-123.5136.816717986000109.1M29 A32 A36 A43 C44 V45M29-W58 HydrophobicContact CB-CB 4.43Å; M29-W58 HydrophobicContact CE-CB 4.24Å; M29-W58 HydrophobicContact CG-CB 4.32Å; M29-W58 HydrophobicContact SD-CB 3.59Å; M29-W58 VanDerWaalsContact SD-CB 3.59Å; A32-W58 HydrophobicContact CB-CD2 4.32Å; A32-W58 HydrophobicContact CB-CE3 3.72Å; A32-W58 HydrophobicContact CB-CZ3 3.83Å; A36-W58 HydrophobicContact CB-CH2 3.59Å; A36-W58 HydrophobicContact CB-CZ2 4.45Å; A36-W58 HydrophobicContact CB-CZ3 4.43Å; A43-W58 HydrophobicContact CB-CZ3 4.05Å; A43-W58 VanDerWaalsContact O-CZ3 3.29Å; A43-W58 WeakPolarHBondContact O-CZ3 3.34Å; C44-W58 CarbonylContact C-O 3.57Å; C44-W58 WeakPolarHBondContact CA-O 3.21Å; C44-W58 WeakPolarHBondContact CB-O 3.49Å; V45-W58 HydrophobicContact CB-CB 4.46Å; V45-W58 HydrophobicContact CG2-CE3 4.35Å; V45-W58 PolarHBondContact N-O 3.38Å; V45-W58 PolarHBondContact O-N 2.95Å
59P95.8Very high93.5Very high18 Ų1864.5 Ų64.512%0.11737%0.373CS..SBendcis-61.7159.5-4.6-22.935.4000114D61 K64P59-D61 CarbonylContact O-C 3.53Å; P59-D61 PolarHBondContact O-N 2.97Å; P59-K64 HydrophobicContact CG-CD 4.16Å; P59-K64 HydrophobicContact CG-CG 4.39Å
60D92.7Very high93.7Very high148 Ų14866.8 Ų66.879%0.79139%0.391SS*.SBendtrans-60.4-28.1177.8-60.6-20.9000111.7V62D60-V62 PolarHBondContact O-N 3.29Å
61D93.1Very high94.1Very high94 Ų9466.6 Ų66.650%0.50338%0.378SS..  trans-70.995.9166-177.1-0.2000110.2P59 A63 K64 A65P59-D61 CarbonylContact O-C 3.53Å; P59-D61 PolarHBondContact O-N 2.97Å; D61-A63 PolarHBondContact O-N 2.93Å; D61-A63 VanDerWaalsContact OD1-CB 3.3Å; D61-A63 WeakPolarHBondContact OD1-CB 3.38Å; D61-A63 PolarHBondContact OD1-N 2.94Å; D61-K64 HydrophobicContact CB-CB 4.12Å; D61-K64 WeakPolarHBondContact O-CB 3.3Å; D61-K64 PolarHBondContact O-N 2.93Å; D61-K64 VanDerWaalsContact O-N 3.08Å; D61-K64 PolarHBondContact OD1-N 3.25Å; D61-A65 PolarHBondContact O-N 3.28Å; D61-A65 VanDerWaalsContact O-N 3.12Å
62V92.7Very high94.4Very high60 Ų6065.9 Ų65.936%0.36435%0.352SS..Hα-helixtrans-55.6-32.5176.71750000112.4D60 A65 A66 W223D60-V62 PolarHBondContact O-N 3.29Å; V62-A65 PolarHBondContact O-N 2.96Å; V62-A66 VanDerWaalsContact O-CB 3.31Å; V62-A66 WeakPolarHBondContact O-CB 3.34Å; V62-A66 PolarHBondContact O-N 3.28Å; V62-W223 HydrophobicContact CG1-CH2 3.71Å; V62-W223 HydrophobicContact CG1-CZ2 3.13Å
63A94.5Very high94.5Very high68 Ų6866.8 Ų66.856%0.56235%0.354SS*.Hα-helixtrans-68.3-39.7178.400000111.1D61 A66 Q67D61-A63 PolarHBondContact O-N 2.93Å; D61-A63 VanDerWaalsContact OD1-CB 3.3Å; D61-A63 WeakPolarHBondContact OD1-CB 3.38Å; D61-A63 PolarHBondContact OD1-N 2.94Å; A63-A66 PolarHBondContact O-N 3.4Å; A63-Q67 WeakPolarHBondContact O-CB 3.44Å; A63-Q67 PolarHBondContact O-N 3.14Å
64K94.6Very high94.8Very high99 Ų9966.8 Ų66.843%0.4336%0.36SS..Hα-helixtrans-64-44.9173.7-172.6171.7-178.7175.20111.4P59 D61 A66 Q67 V68P59-K64 HydrophobicContact CG-CD 4.16Å; P59-K64 HydrophobicContact CG-CG 4.39Å; D61-K64 HydrophobicContact CB-CB 4.12Å; D61-K64 WeakPolarHBondContact O-CB 3.3Å; D61-K64 PolarHBondContact O-N 2.93Å; D61-K64 VanDerWaalsContact O-N 3.08Å; D61-K64 PolarHBondContact OD1-N 3.25Å; K64-A66 PolarHBondContact O-N 3.31Å; K64-Q67 WeakPolarHBondContact O-CB 3.41Å; K64-Q67 PolarHBondContact O-N 3.02Å; K64-V68 WeakPolarHBondContact O-CG2 3.44Å; K64-V68 PolarHBondContact O-N 2.93Å; K64-V68 VanDerWaalsContact O-N 3.17Å
65A95.3Very high94.9Very high1 Ų166.1 Ų66.11%0.00836%0.358CS..Hα-helixtrans-59.2-47174.200000111.3C44 V57 D61 V62 Q67 V68 L69C44-A65 HydrophobicContact CB-CB 4.06Å; V57-A65 HydrophobicContact CG1-CB 3.59Å; D61-A65 PolarHBondContact O-N 3.28Å; D61-A65 VanDerWaalsContact O-N 3.12Å; V62-A65 PolarHBondContact O-N 2.96Å; A65-Q67 VanDerWaalsContact C-N 3.29Å; A65-Q67 PolarHBondContact O-N 3.08Å; A65-V68 PolarHBondContact O-N 2.79Å; A65-V68 VanDerWaalsContact O-N 3.14Å; A65-L69 WeakPolarHBondContact O-CD1 2.92Å; A65-L69 PolarHBondContact O-N 3.15Å
66A95.4Very high94.9Very high31 Ų3169.4 Ų69.426%0.25638%0.379SS..Hα-helixtrans-60.3-36.7177.600000112.7V62 A63 K64 L69 A70 W223V62-A66 VanDerWaalsContact O-CB 3.31Å; V62-A66 WeakPolarHBondContact O-CB 3.34Å; V62-A66 PolarHBondContact O-N 3.28Å; A63-A66 PolarHBondContact O-N 3.4Å; K64-A66 PolarHBondContact O-N 3.31Å; A66-L69 PolarHBondContact O-N 3.02Å; A66-A70 VanDerWaalsContact O-CB 3.32Å; A66-A70 WeakPolarHBondContact O-CB 3.3Å; A66-A70 PolarHBondContact O-N 3.3Å; A66-W223 HydrophobicContact CB-CZ3 4.4Å
67Q96.7Very high94.8Very high135 Ų13572.3 Ų72.363%0.63139%0.393SS*.Hα-helixtrans-62.1-43.3174.5-173-176.627.200112A63 K64 A65 A70 R71A63-Q67 WeakPolarHBondContact O-CB 3.44Å; A63-Q67 PolarHBondContact O-N 3.14Å; K64-Q67 WeakPolarHBondContact O-CB 3.41Å; K64-Q67 PolarHBondContact O-N 3.02Å; A65-Q67 VanDerWaalsContact C-N 3.29Å; A65-Q67 PolarHBondContact O-N 3.08Å; Q67-A70 PolarHBondContact O-N 3.41Å; Q67-R71 WeakPolarHBondContact O-CB 3.33Å; Q67-R71 PolarHBondContact O-N 3.47Å
68V96.1Very high94.7Very high24 Ų2477.9 Ų77.915%0.14542%0.421CS..Hα-helixtrans-61.8-45.7175.9179.50000110.6D42 C44 K64 A65 R71 F72D42-V68 HydrophobicContact CB-CG2 4.09Å; C44-V68 HydrophobicContact CB-CB 4.25Å; C44-V68 HydrophobicContact CB-CG1 4.34Å; K64-V68 WeakPolarHBondContact O-CG2 3.44Å; K64-V68 PolarHBondContact O-N 2.93Å; K64-V68 VanDerWaalsContact O-N 3.17Å; A65-V68 PolarHBondContact O-N 2.79Å; A65-V68 VanDerWaalsContact O-N 3.14Å; V68-R71 PolarHBondContact O-N 3.49Å; V68-F72 PolarHBondContact O-N 3.22Å
69L95Very high94.5Very high29 Ų2980 Ų8015%0.15244%0.435CS..Hα-helixtrans-63.2-42.3176.5-83.586.6000112.1C44 A65 A66 F72 K73 V227C44-L69 HydrophobicContact CB-CD1 4.32Å; C44-L69 WeakPolarHBondContact SG-CD1 3.12Å; A65-L69 WeakPolarHBondContact O-CD1 2.92Å; A65-L69 PolarHBondContact O-N 3.15Å; A66-L69 PolarHBondContact O-N 3.02Å; L69-F72 PolarHBondContact O-N 3.36Å; L69-K73 WeakPolarHBondContact O-CG 3.44Å; L69-K73 PolarHBondContact O-N 2.98Å; L69-V227 HydrophobicContact CD2-CB 4.37Å; L69-V227 HydrophobicContact CD2-CG1 3.7Å; L69-V227 HydrophobicContact CD2-CG2 3.66Å
70A96Very high94.2Very high58 Ų5881 Ų8148%0.47944%0.438SS..Hα-helixtrans-63.3-43.8178.800000111.2A66 Q67 F72 K73 A74A66-A70 VanDerWaalsContact O-CB 3.32Å; A66-A70 WeakPolarHBondContact O-CB 3.3Å; A66-A70 PolarHBondContact O-N 3.3Å; Q67-A70 PolarHBondContact O-N 3.41Å; A70-F72 VanDerWaalsContact C-N 3.32Å; A70-F72 PolarHBondContact O-N 2.93Å; A70-K73 PolarHBondContact O-N 2.88Å; A70-A74 WeakPolarHBondContact O-CB 2.91Å; A70-A74 PolarHBondContact O-N 2.77Å
71R95.9Very high94Very high161 Ų16177 Ų7761%0.60842%0.422SS*.Hα-helixtrans-59.8-43.2173.9-176.3-179.5176.7-173.6-0.3111.3D42 Q67 V68 A74 M75D42-R71 IonicContact OD2-NH1 2.9Å; D42-R71 PolarHBondContact OD2-NH1 3.38Å; Q67-R71 WeakPolarHBondContact O-CB 3.33Å; Q67-R71 PolarHBondContact O-N 3.47Å; V68-R71 PolarHBondContact O-N 3.49Å; R71-A74 PolarHBondContact O-N 2.9Å; R71-M75 WeakPolarHBondContact O-CG 3.43Å
72F93.8Very high93.8Very high65 Ų6579.5 Ų79.529%0.28543%0.428SS..Hα-helixtrans-62-47.9176.9176.5-94000112.2V68 L69 A70 A74 M75 Q80 L234V68-F72 PolarHBondContact O-N 3.22Å; L69-F72 PolarHBondContact O-N 3.36Å; A70-F72 VanDerWaalsContact C-N 3.32Å; A70-F72 PolarHBondContact O-N 2.93Å; F72-A74 PolarHBondContact O-N 3.47Å; F72-M75 HydrophobicContact CB-CE 4.27Å; F72-M75 HydrophobicContact CD2-CE 3.34Å; F72-M75 HydrophobicContact CE2-CE 3.93Å; F72-M75 HydrophobicContact CG-CE 4.08Å; F72-M75 WeakPolarHBondContact O-CB 3.45Å; F72-M75 PolarHBondContact O-N 3.41Å; F72-M75 VanDerWaalsContact O-N 3.12Å; F72-Q80 HydrophobicContact CE1-CB 4.13Å; F72-Q80 HydrophobicContact CE1-CG 4.12Å; F72-Q80 HydrophobicContact CE2-CB 4.11Å; F72-Q80 HydrophobicContact CE2-CG 4.28Å; F72-Q80 HydrophobicContact CZ-CB 3.63Å; F72-Q80 HydrophobicContact CZ-CG 3.97Å; F72-Q80 WeakPolarHBondContact O-CG 3.34Å; F72-L234 HydrophobicContact CE1-CD2 3.79Å
73K93.7Very high93.7Very high91 Ų9185.4 Ų85.440%0.39645%0.449SS..Hα-helixtrans-65.1-24.8178.7-72.3-178.3176.2-173.30113.6L69 A70 M75 Q80L69-K73 WeakPolarHBondContact O-CG 3.44Å; L69-K73 PolarHBondContact O-N 2.98Å; A70-K73 PolarHBondContact O-N 2.88Å; K73-M75 VanDerWaalsContact C-N 3.31Å; K73-Q80 PolarHBondContact O-NE2 2.89Å
74A95.6Very high93.5Very high87 Ų8785.9 Ų85.972%0.71944%0.44SS*.THydrogen-bonded Turntrans-79.6-10.2176.300000113.6A70 R71 F72A70-A74 WeakPolarHBondContact O-CB 2.91Å; A70-A74 PolarHBondContact O-N 2.77Å; R71-A74 PolarHBondContact O-N 2.9Å; F72-A74 PolarHBondContact O-N 3.47Å
75M94Very high93.4Very high75 Ų7585.9 Ų85.937%0.36944%0.443SS..SBendtrans-75.6156.7177.2-62.3-165.6-70.600111.6R71 F72 K73 Q80R71-M75 WeakPolarHBondContact O-CG 3.43Å; F72-M75 HydrophobicContact CB-CE 4.27Å; F72-M75 HydrophobicContact CD2-CE 3.34Å; F72-M75 HydrophobicContact CE2-CE 3.93Å; F72-M75 HydrophobicContact CG-CE 4.08Å; F72-M75 WeakPolarHBondContact O-CB 3.45Å; F72-M75 PolarHBondContact O-N 3.41Å; F72-M75 VanDerWaalsContact O-N 3.12Å; K73-M75 VanDerWaalsContact C-N 3.31Å; M75-Q80 HydrophobicContact CB-CG 4.11Å; M75-Q80 PolarHBondContact O-NE2 2.73Å
76P94.7Very high93.2Very high84 Ų8488.6 Ų88.655%0.54546%0.457SS..  trans-56.8144.2171.2-23.534.4000112.2L78 D79 Q80P76-L78 PolarHBondContact O-N 3.04Å; P76-L78 VanDerWaalsContact O-N 3.16Å; P76-D79 PolarHBondContact O-N 3.33Å; P76-Q80 PolarHBondContact O-N 2.85Å; P76-Q80 VanDerWaalsContact O-N 3.09Å
77E92.7Very high92.9Very high133 Ų13393.6 Ų93.662%0.62148%0.477SS*.Hα-helixtrans-54.7-39.1-176.5-66.8-178.517200113D79 Q80 C81E77-D79 VanDerWaalsContact C-N 3.28Å; E77-D79 PolarHBondContact O-N 2.87Å; E77-Q80 WeakPolarHBondContact O-CB 3.42Å; E77-Q80 PolarHBondContact O-N 3.29Å; E77-C81 PolarHBondContact O-N 3.49Å; E77-C81 PolarHBondContact O-SG 3.03Å
78L92.7Very high92.7Very high135 Ų13593.5 Ų93.571%0.70748%0.476SS*.Hα-helixtrans-60.4-37.6177.3-65.8178.4000112.1P76 K82P76-L78 PolarHBondContact O-N 3.04Å; P76-L78 VanDerWaalsContact O-N 3.16Å; L78-K82 VanDerWaalsContact O-CB 3.26Å; L78-K82 WeakPolarHBondContact O-CB 3.3Å; L78-K82 PolarHBondContact O-N 3.3Å; L78-K82 VanDerWaalsContact O-N 3.08Å
79D92.7Very high92.5Very high85 Ų8593.3 Ų93.346%0.45548%0.48SS..Hα-helixtrans-77.1-32.2178.6-69-42.3000111.9P76 E77P76-D79 PolarHBondContact O-N 3.33Å; E77-D79 VanDerWaalsContact C-N 3.28Å; E77-D79 PolarHBondContact O-N 2.87Å
80Q90.7Very high92.3Very high37 Ų3795.9 Ų95.917%0.17349%0.49CS..Hα-helixtrans-62.6-43.8174.4-65.6-17540.100111.5F72 K73 M75 P76 E77F72-Q80 HydrophobicContact CE1-CB 4.13Å; F72-Q80 HydrophobicContact CE1-CG 4.12Å; F72-Q80 HydrophobicContact CE2-CB 4.11Å; F72-Q80 HydrophobicContact CE2-CG 4.28Å; F72-Q80 HydrophobicContact CZ-CB 3.63Å; F72-Q80 HydrophobicContact CZ-CG 3.97Å; F72-Q80 WeakPolarHBondContact O-CG 3.34Å; K73-Q80 PolarHBondContact O-NE2 2.89Å; M75-Q80 HydrophobicContact CB-CG 4.11Å; M75-Q80 PolarHBondContact O-NE2 2.73Å; P76-Q80 PolarHBondContact O-N 2.85Å; P76-Q80 VanDerWaalsContact O-N 3.09Å; E77-Q80 WeakPolarHBondContact O-CB 3.42Å; E77-Q80 PolarHBondContact O-N 3.29Å
81C87.8Confident92.2Very high66 Ų6696.7 Ų96.745%0.44649%0.486SS..Hα-helixtrans-90.3-18.6-17569.20000114.3E77 K83 M84E77-C81 PolarHBondContact O-N 3.49Å; E77-C81 PolarHBondContact O-SG 3.03Å; C81-K83 PolarHBondContact O-N 3.47Å; C81-M84 HydrophobicContact CB-CE 4.26Å; C81-M84 WeakPolarHBondContact O-CB 3.4Å; C81-M84 PolarHBondContact O-N 3.4Å
82K89.4Confident92.1Very high146 Ų14692.5 Ų92.564%0.63548%0.476SS*.THydrogen-bonded Turntrans-50.9-36-174.7-175.4174.1-174.3175.30115L78L78-K82 VanDerWaalsContact O-CB 3.26Å; L78-K82 WeakPolarHBondContact O-CB 3.3Å; L78-K82 PolarHBondContact O-N 3.3Å; L78-K82 VanDerWaalsContact O-N 3.08Å
83K89.5Confident92.1Very high183 Ų18394.7 Ų94.780%0.79649%0.487SS*.THydrogen-bonded Turntrans-12213-179.6-60-61.8178.8-170.70112.5C81C81-K83 PolarHBondContact O-N 3.47Å
84M91.9Very high92.1Very high78 Ų7894.9 Ų94.938%0.38449%0.485SS..  trans-70.6138179.2-171.7166.872.900110.1C81 L234C81-M84 HydrophobicContact CB-CE 4.26Å; C81-M84 WeakPolarHBondContact O-CB 3.4Å; C81-M84 PolarHBondContact O-N 3.4Å; M84-L234 WeakPolarHBondContact CE-O 3.32Å; M84-L234 VanDerWaalsContact SD-O 3.41Å
85M91.2Very high92.1Very high99 Ų9994.1 Ų94.149%0.48847%0.468SS..  trans-128.5107.9170.6-175.565.768.200107.1F90 Q93M85-F90 HydrophobicContact CG-CB 4.16Å; M85-F90 HydrophobicContact SD-CB 4.1Å; M85-Q93 VanDerWaalsContact CE-NE2 3.25Å
86D91.7Very high92.2Very high59 Ų5994.8 Ų94.832%0.31647%0.473SS..  trans-90.2176.717260.88.1000110.8G89 F90D86-G89 VanDerWaalsContact OD1-CA 3.27Å; D86-G89 WeakPolarHBondContact OD1-CA 3.4Å; D86-G89 PolarHBondContact OD1-N 3.49Å; D86-F90 VanDerWaalsContact O-CB 3.3Å; D86-F90 WeakPolarHBondContact O-CB 3.36Å; D86-F90 PolarHBondContact O-N 3.01Å
87M89.9Confident92.3Very high136 Ų13697.5 Ų97.567%0.6748%0.476SS*.Hα-helixtrans-67.1-40.3-179.4-17262.615100111.5F90 L91M87-F90 PolarHBondContact O-N 3.39Å; M87-L91 HydrophobicContact CG-CD1 4.11Å; M87-L91 HydrophobicContact CG-CG 4.46Å; M87-L91 WeakPolarHBondContact O-CB 3.45Å; M87-L91 WeakPolarHBondContact O-CG 3.35Å; M87-L91 PolarHBondContact O-N 2.97Å; M87-L91 HydrophobicContact SD-CG 4.48Å
88E91.9Very high92.5Very high132 Ų13295.9 Ų95.962%0.61747%0.471SS*.Hα-helixtrans-63.7-51179.9-177.2175.4168.700111.2F90 L91 N92E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 2.91Å; E88-L91 PolarHBondContact O-N 2.91Å; E88-L91 VanDerWaalsContact O-N 3.15Å; E88-N92 WeakPolarHBondContact O-CB 3.37Å; E88-N92 PolarHBondContact O-N 3.32Å; E88-N92 PolarHBondContact O-ND2 3.23Å
89G92Very high92.7Very high21 Ų2197 Ų9722%0.21647%0.466CS..Hα-helixtrans-58.3-43175.600000112.2D86 L91 N92 Q93D86-G89 VanDerWaalsContact OD1-CA 3.27Å; D86-G89 WeakPolarHBondContact OD1-CA 3.4Å; D86-G89 PolarHBondContact OD1-N 3.49Å; G89-L91 PolarHBondContact O-N 2.87Å; G89-N92 PolarHBondContact O-N 2.86Å; G89-Q93 VanDerWaalsContact O-CG 3.32Å; G89-Q93 WeakPolarHBondContact O-CG 3.31Å; G89-Q93 PolarHBondContact O-N 3.05Å
90F90.8Very high93Very high82 Ų8297 Ų9736%0.3646%0.463SS..Hα-helixtrans-61.6-43.7175176.5-104.4000112.5M85 D86 M87 E88 R94M85-F90 HydrophobicContact CG-CB 4.16Å; M85-F90 HydrophobicContact SD-CB 4.1Å; D86-F90 VanDerWaalsContact O-CB 3.3Å; D86-F90 WeakPolarHBondContact O-CB 3.36Å; D86-F90 PolarHBondContact O-N 3.01Å; M87-F90 PolarHBondContact O-N 3.39Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 2.91Å; F90-R94 VanDerWaalsContact CE1-CD 3.44Å; F90-R94 HydrophobicContact CE1-CG 4.3Å; F90-R94 HydrophobicContact CE2-CG 4.44Å; F90-R94 HydrophobicContact CZ-CG 4.18Å; F90-R94 WeakPolarHBondContact O-CG 3.36Å; F90-R94 PolarHBondContact O-N 3.47Å; F90-R94 VanDerWaalsContact O-N 3.12Å
91L92.8Very high93.3Very high75 Ų75100.4 Ų100.439%0.39348%0.479SS..Hα-helixtrans-67-42.8178.3-70.9175.5000111.5M87 E88 G89 Q93 R94 I95M87-L91 HydrophobicContact CG-CD1 4.11Å; M87-L91 HydrophobicContact CG-CG 4.46Å; M87-L91 WeakPolarHBondContact O-CB 3.45Å; M87-L91 WeakPolarHBondContact O-CG 3.35Å; M87-L91 PolarHBondContact O-N 2.97Å; M87-L91 HydrophobicContact SD-CG 4.48Å; E88-L91 PolarHBondContact O-N 2.91Å; E88-L91 VanDerWaalsContact O-N 3.15Å; G89-L91 PolarHBondContact O-N 2.87Å; L91-Q93 PolarHBondContact O-N 3.01Å; L91-R94 WeakPolarHBondContact O-CB 3.38Å; L91-R94 PolarHBondContact O-N 3.2Å; L91-R94 VanDerWaalsContact O-N 3.13Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.49Å; L91-I95 PolarHBondContact O-N 3.35Å
92N94.9Very high93.8Very high74 Ų74101.5 Ų101.540%0.39648%0.48SS..Hα-helixtrans-59.3-46.8176-74.4-25.9000111.5E88 G89 R94 I95 D96E88-N92 WeakPolarHBondContact O-CB 3.37Å; E88-N92 PolarHBondContact O-N 3.32Å; E88-N92 PolarHBondContact O-ND2 3.23Å; G89-N92 PolarHBondContact O-N 2.86Å; N92-R94 VanDerWaalsContact C-N 3.28Å; N92-R94 PolarHBondContact O-N 3.44Å; N92-I95 WeakPolarHBondContact O-CB 3.17Å; N92-I95 PolarHBondContact O-N 3.25Å; N92-I95 VanDerWaalsContact O-N 3.13Å; N92-D96 PolarHBondContact O-N 2.67Å
93Q94.1Very high94.2Very high111 Ų111100.9 Ų100.952%0.51947%0.474SS..Hα-helixtrans-58.1-39.5174.4-74.3-178.43.800112.8M85 G89 L91 K97M85-Q93 VanDerWaalsContact CE-NE2 3.25Å; G89-Q93 VanDerWaalsContact O-CG 3.32Å; G89-Q93 WeakPolarHBondContact O-CG 3.31Å; G89-Q93 PolarHBondContact O-N 3.05Å; L91-Q93 PolarHBondContact O-N 3.01Å; Q93-K97 WeakPolarHBondContact O-CB 3.45Å; Q93-K97 PolarHBondContact O-N 3.2Å
94R93.1Very high94.6Very high95 Ų9597.6 Ų97.636%0.35846%0.46SS..Hα-helixtrans-68.1-40.8176.4-75.6-172.564.6-173.81.3112.2L8 F90 L91 N92 D96 K97 L98L8-R94 PolarHBondContact O-NH1 3.23Å; L8-R94 PolarHBondContact O-NH2 3.32Å; F90-R94 VanDerWaalsContact CE1-CD 3.44Å; F90-R94 HydrophobicContact CE1-CG 4.3Å; F90-R94 HydrophobicContact CE2-CG 4.44Å; F90-R94 HydrophobicContact CZ-CG 4.18Å; F90-R94 WeakPolarHBondContact O-CG 3.36Å; F90-R94 PolarHBondContact O-N 3.47Å; F90-R94 VanDerWaalsContact O-N 3.12Å; L91-R94 WeakPolarHBondContact O-CB 3.38Å; L91-R94 PolarHBondContact O-N 3.2Å; L91-R94 VanDerWaalsContact O-N 3.13Å; N92-R94 VanDerWaalsContact C-N 3.28Å; N92-R94 PolarHBondContact O-N 3.44Å; R94-D96 VanDerWaalsContact C-N 3.34Å; R94-K97 PolarHBondContact O-N 3.24Å; R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.29Å
95I95.3Very high94.9Very high71 Ų7196.5 Ų96.536%0.36446%0.463SS..Hα-helixtrans-60.8-46.6176.5-72.2164.8000109.5L91 N92 K97 L98 R99L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.49Å; L91-I95 PolarHBondContact O-N 3.35Å; N92-I95 WeakPolarHBondContact O-CB 3.17Å; N92-I95 PolarHBondContact O-N 3.25Å; N92-I95 VanDerWaalsContact O-N 3.13Å; I95-K97 PolarHBondContact O-N 3.24Å; I95-L98 PolarHBondContact O-N 2.83Å; I95-R99 HydrophobicContact CG2-CG 4.35Å; I95-R99 VanDerWaalsContact CG2-CZ 3.42Å; I95-R99 WeakPolarHBondContact O-CB 3.32Å; I95-R99 VanDerWaalsContact O-CG 3.31Å; I95-R99 WeakPolarHBondContact O-CG 3.28Å; I95-R99 PolarHBondContact O-N 2.9Å
96D97.6Very high95.2Very high88 Ų8899.9 Ų99.947%0.47147%0.47SS..Hα-helixtrans-64.3-41179.5-69.1-21.6000112.3N92 R94 L98 R99 E100N92-D96 PolarHBondContact O-N 2.67Å; R94-D96 VanDerWaalsContact C-N 3.34Å; D96-L98 VanDerWaalsContact C-N 3.34Å; D96-L98 PolarHBondContact O-N 3.26Å; D96-R99 PolarHBondContact O-N 3.32Å; D96-R99 IonicContact OD1-NH1 3.01Å; D96-R99 PolarHBondContact OD1-NH1 2.9Å; D96-E100 PolarHBondContact O-N 3.23Å
97K96.2Very high95.3Very high141 Ų141101.1 Ų101.161%0.61347%0.47SS*.Hα-helixtrans-60-43.7173.5-174.3172.2-175.5168.40112.1Q93 R94 I95 E100 Q101Q93-K97 WeakPolarHBondContact O-CB 3.45Å; Q93-K97 PolarHBondContact O-N 3.2Å; R94-K97 PolarHBondContact O-N 3.24Å; I95-K97 PolarHBondContact O-N 3.24Å; K97-E100 PolarHBondContact O-N 2.86Å; K97-Q101 VanDerWaalsContact O-CG 3.3Å; K97-Q101 WeakPolarHBondContact O-CG 3.49Å; K97-Q101 PolarHBondContact O-N 3.49Å
98L95.7Very high95.7Very high99 Ų9997.8 Ų97.852%0.51845%0.453SS..Hα-helixtrans-67.5-38.6177.4-72.7170.7000111.7R94 I95 D96 Q101 L102R94-L98 WeakPolarHBondContact O-CG 3.44Å; R94-L98 PolarHBondContact O-N 3.29Å; I95-L98 PolarHBondContact O-N 2.83Å; D96-L98 VanDerWaalsContact C-N 3.34Å; D96-L98 PolarHBondContact O-N 3.26Å; L98-Q101 PolarHBondContact O-N 2.94Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.34Å
99R97.7Very high96Very high160 Ų16095.3 Ų95.360%0.60444%0.444SS*.Hα-helixtrans-60.8-45.3174.6-75.4171.2174.7164.4-4.2111.5I95 D96 L102 R103I95-R99 HydrophobicContact CG2-CG 4.35Å; I95-R99 VanDerWaalsContact CG2-CZ 3.42Å; I95-R99 WeakPolarHBondContact O-CB 3.32Å; I95-R99 VanDerWaalsContact O-CG 3.31Å; I95-R99 WeakPolarHBondContact O-CG 3.28Å; I95-R99 PolarHBondContact O-N 2.9Å; D96-R99 PolarHBondContact O-N 3.32Å; D96-R99 IonicContact OD1-NH1 3.01Å; D96-R99 PolarHBondContact OD1-NH1 2.9Å; R99-L102 PolarHBondContact O-N 3.34Å; R99-R103 WeakPolarHBondContact O-CB 3.3Å; R99-R103 PolarHBondContact O-N 3.23Å
100E97.9Very high96.1Very high85 Ų8598.2 Ų98.240%0.39745%0.452SS..Hα-helixtrans-67.6-38.1177.2-178.551.9-147.700111.8D96 K97 L102 R103 K104 R107D96-E100 PolarHBondContact O-N 3.23Å; K97-E100 PolarHBondContact O-N 2.86Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.49Å; E100-R103 PolarHBondContact O-N 3.14Å; E100-R103 IonicContact OE1-NE 3.88Å; E100-R103 IonicContact OE1-NH2 3.96Å; E100-R103 IonicContact OE2-CZ 3.24Å; E100-R103 IonicContact OE2-NE 3.78Å; E100-R103 PolarHBondContact OE2-NE 3.38Å; E100-R103 IonicContact OE2-NH2 3.71Å; E100-K104 WeakPolarHBondContact O-CB 3.42Å; E100-K104 PolarHBondContact O-N 3.46Å; E100-R107 IonicContact OE1-CZ 3.73Å; E100-R107 IonicContact OE1-NH1 3.2Å; E100-R107 IonicContact OE1-NH2 3.24Å; E100-R107 PolarHBondContact OE1-NH2 3.24Å
101Q97.5Very high96.3Very high108 Ų10899.2 Ų99.251%0.50546%0.457SS..Hα-helixtrans-60.1-44.2173.3-75.2180-26.400111.9K97 L98 K104 A105K97-Q101 VanDerWaalsContact O-CG 3.3Å; K97-Q101 WeakPolarHBondContact O-CG 3.49Å; K97-Q101 PolarHBondContact O-N 3.49Å; L98-Q101 PolarHBondContact O-N 2.94Å; Q101-K104 PolarHBondContact O-N 3.21Å; Q101-A105 WeakPolarHBondContact O-CB 3.21Å; Q101-A105 PolarHBondContact O-N 3.06Å
102L98.2Very high96.6Very high89 Ų89102.3 Ų102.347%0.46646%0.464SS..Hα-helixtrans-62.7-44.1174.9178.661.6000111.2L98 R99 E100 K104 A105 R106L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.34Å; R99-L102 PolarHBondContact O-N 3.34Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.49Å; L102-K104 VanDerWaalsContact C-N 3.31Å; L102-K104 PolarHBondContact O-N 3.32Å; L102-A105 PolarHBondContact O-N 3.36Å; L102-R106 HydrophobicContact CD1-CG 4.34Å; L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 WeakPolarHBondContact O-CG 3.3Å; L102-R106 PolarHBondContact O-N 3.49Å
103R97.8Very high96.6Very high133 Ų133103 Ų10350%0.50247%0.465SS..Hα-helixtrans-61.2-42.4178-150.7-173.372.488.3-3.5110.9R99 E100 R106 R107R99-R103 WeakPolarHBondContact O-CB 3.3Å; R99-R103 PolarHBondContact O-N 3.23Å; E100-R103 PolarHBondContact O-N 3.14Å; E100-R103 IonicContact OE1-NE 3.88Å; E100-R103 IonicContact OE1-NH2 3.96Å; E100-R103 IonicContact OE2-CZ 3.24Å; E100-R103 IonicContact OE2-NE 3.78Å; E100-R103 PolarHBondContact OE2-NE 3.38Å; E100-R103 IonicContact OE2-NH2 3.71Å; R103-R106 PolarHBondContact O-N 2.88Å; R103-R107 VanDerWaalsContact NH2-CZ 3.26Å; R103-R107 VanDerWaalsContact NH2-NH1 3.11Å; R103-R107 WeakPolarHBondContact O-CG 3.48Å; R103-R107 PolarHBondContact O-N 2.82Å; R103-R107 PolarHBondContact O-NH1 2.88Å
104K98.2Very high96.8Very high114 Ų11497.9 Ų97.950%0.49644%0.441SS..Hα-helixtrans-62.4-50.4175.9-179.9174.8173174.20110.7E100 Q101 L102 R106 R107 E108E100-K104 WeakPolarHBondContact O-CB 3.42Å; E100-K104 PolarHBondContact O-N 3.46Å; Q101-K104 PolarHBondContact O-N 3.21Å; L102-K104 VanDerWaalsContact C-N 3.31Å; L102-K104 PolarHBondContact O-N 3.32Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.92Å; K104-R107 PolarHBondContact O-N 2.92Å; K104-E108 WeakPolarHBondContact CE-OE1 3.32Å; K104-E108 IonicContact NZ-OE1 3.79Å; K104-E108 VanDerWaalsContact O-CB 3.3Å; K104-E108 WeakPolarHBondContact O-CB 3.3Å; K104-E108 PolarHBondContact O-N 2.85Å
105A97.9Very high96.9Very high54 Ų5495.5 Ų95.545%0.44644%0.441SS..Hα-helixtrans-59.8-39178.900000112.2Q101 L102 E108 N109Q101-A105 WeakPolarHBondContact O-CB 3.21Å; Q101-A105 PolarHBondContact O-N 3.06Å; L102-A105 PolarHBondContact O-N 3.36Å; A105-E108 PolarHBondContact O-N 3.01Å; A105-N109 WeakPolarHBondContact O-CB 3.42Å; A105-N109 PolarHBondContact O-N 3.1Å
106R97.3Very high97Very high170 Ų17097.7 Ų97.764%0.64245%0.453SS*.Hα-helixtrans-64-45.9175-75.7177.7179.6-178.8-0.9112.8L102 R103 K104 E108 N109 H110L102-R106 HydrophobicContact CD1-CG 4.34Å; L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 WeakPolarHBondContact O-CG 3.3Å; L102-R106 PolarHBondContact O-N 3.49Å; R103-R106 PolarHBondContact O-N 2.88Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 2.92Å; R106-E108 VanDerWaalsContact C-N 3.34Å; R106-N109 PolarHBondContact O-N 3.31Å; R106-H110 WeakPolarHBondContact O-CB 3.43Å; R106-H110 PolarHBondContact O-N 3.43Å
107R95.6Very high96.8Very high86 Ų8694 Ų9433%0.32543%0.434SS..Hα-helixtrans-59.5-48.7175.6-73-169.9-57.2-77.917.8111E100 R103 K104 N109 H110 E111E100-R107 IonicContact OE1-CZ 3.73Å; E100-R107 IonicContact OE1-NH1 3.2Å; E100-R107 IonicContact OE1-NH2 3.24Å; E100-R107 PolarHBondContact OE1-NH2 3.24Å; R103-R107 VanDerWaalsContact NH2-CZ 3.26Å; R103-R107 VanDerWaalsContact NH2-NH1 3.11Å; R103-R107 WeakPolarHBondContact O-CG 3.48Å; R103-R107 PolarHBondContact O-N 2.82Å; R103-R107 PolarHBondContact O-NH1 2.88Å; K104-R107 PolarHBondContact O-N 2.92Å; R107-N109 VanDerWaalsContact C-N 3.3Å; R107-N109 PolarHBondContact O-N 3.42Å; R107-H110 PolarHBondContact O-N 2.97Å; R107-E111 WeakPolarHBondContact O-CG 3.29Å; R107-E111 PolarHBondContact O-N 3.33Å
108E97.2Very high96.7Very high65 Ų6588.6 Ų88.630%0.30441%0.411SS..Hα-helixtrans-60.1-37.5178.2-94.5-166.7-133.300113.2K104 A105 R106 R112K104-E108 WeakPolarHBondContact CE-OE1 3.32Å; K104-E108 IonicContact NZ-OE1 3.79Å; K104-E108 VanDerWaalsContact O-CB 3.3Å; K104-E108 WeakPolarHBondContact O-CB 3.3Å; K104-E108 PolarHBondContact O-N 2.85Å; A105-E108 PolarHBondContact O-N 3.01Å; R106-E108 VanDerWaalsContact C-N 3.34Å; E108-R112 VanDerWaalsContact C-NH1 3.3Å; E108-R112 VanDerWaalsContact CB-NH1 3.26Å; E108-R112 VanDerWaalsContact O-CG 3.31Å; E108-R112 WeakPolarHBondContact O-CG 2.79Å; E108-R112 PolarHBondContact O-N 3.45Å; E108-R112 PolarHBondContact O-NH1 3.05Å; E108-R112 IonicContact OE2-CZ 3.59Å; E108-R112 IonicContact OE2-NH1 3.23Å; E108-R112 PolarHBondContact OE2-NH1 3.49Å; E108-R112 IonicContact OE2-NH2 2.67Å; E108-R112 PolarHBondContact OE2-NH2 2.93Å
109N97.6Very high96.7Very high81 Ų8189.2 Ų89.243%0.43341%0.411SS..Hα-helixtrans-70.3-47.9174.4-169.534.1000110.9A105 R106 R107 E111 R112 E113A105-N109 WeakPolarHBondContact O-CB 3.42Å; A105-N109 PolarHBondContact O-N 3.1Å; R106-N109 PolarHBondContact O-N 3.31Å; R107-N109 VanDerWaalsContact C-N 3.3Å; R107-N109 PolarHBondContact O-N 3.42Å; N109-E111 VanDerWaalsContact C-N 3.31Å; N109-E111 PolarHBondContact O-N 3.48Å; N109-R112 PolarHBondContact O-N 3.18Å; N109-E113 PolarHBondContact ND2-OE1 3.26Å; N109-E113 WeakPolarHBondContact O-CG 3.37Å; N109-E113 PolarHBondContact O-N 2.87Å; N109-E113 PolarHBondContact OD1-OE1 2.83Å
110H95.1Very high96.6Very high81 Ų8183.5 Ų83.538%0.37539%0.393SS..Hα-helixtrans-58.8-40.6179.1-177.865.8000112.6R106 R107 T114R106-H110 WeakPolarHBondContact O-CB 3.43Å; R106-H110 PolarHBondContact O-N 3.43Å; R107-H110 PolarHBondContact O-N 2.97Å; H110-T114 VanDerWaalsContact O-CB 3.28Å; H110-T114 WeakPolarHBondContact O-CB 3.46Å; H110-T114 PolarHBondContact O-N 3.43Å; H110-T114 PolarHBondContact O-OG1 3.16Å
111E95.3Very high96.4Very high103 Ų10380.9 Ų80.948%0.48139%0.386SS..Hα-helixtrans-62.2-42.1174-76.5174.5-167.400112.1R107 N109 A115R107-E111 WeakPolarHBondContact O-CG 3.29Å; R107-E111 PolarHBondContact O-N 3.33Å; N109-E111 VanDerWaalsContact C-N 3.31Å; N109-E111 PolarHBondContact O-N 3.48Å; E111-A115 WeakPolarHBondContact O-CB 3.4Å; E111-A115 PolarHBondContact O-N 3.19Å
112R97.7Very high96.1Very high141 Ų14182.1 Ų82.153%0.53239%0.394SS..Hα-helixtrans-68-45.1178-73179.2-17691.3-7111.6E108 N109 A115 L116E108-R112 VanDerWaalsContact C-NH1 3.3Å; E108-R112 VanDerWaalsContact CB-NH1 3.26Å; E108-R112 VanDerWaalsContact O-CG 3.31Å; E108-R112 WeakPolarHBondContact O-CG 2.79Å; E108-R112 PolarHBondContact O-N 3.45Å; E108-R112 PolarHBondContact O-NH1 3.05Å; E108-R112 IonicContact OE2-CZ 3.59Å; E108-R112 IonicContact OE2-NH1 3.23Å; E108-R112 PolarHBondContact OE2-NH1 3.49Å; E108-R112 IonicContact OE2-NH2 2.67Å; E108-R112 PolarHBondContact OE2-NH2 2.93Å; N109-R112 PolarHBondContact O-N 3.18Å; R112-A115 PolarHBondContact O-N 2.98Å; R112-L116 WeakPolarHBondContact O-CG 3.27Å; R112-L116 PolarHBondContact O-N 3.36Å
113E96.1Very high95.9Very high89 Ų8980.3 Ų80.342%0.41639%0.392SS..Hα-helixtrans-58.8-47.8175.3-72.3169.2173.200110.7N109 A115 L116 L117N109-E113 PolarHBondContact ND2-OE1 3.26Å; N109-E113 WeakPolarHBondContact O-CG 3.37Å; N109-E113 PolarHBondContact O-N 2.87Å; N109-E113 PolarHBondContact OD1-OE1 2.83Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.96Å; E113-L116 PolarHBondContact O-N 3.2Å; E113-L117 WeakPolarHBondContact O-CG 3.47Å; E113-L117 PolarHBondContact O-N 3.48Å
114T97Very high95.6Very high3 Ų376.5 Ų76.52%0.01839%0.394CS..Hα-helixtrans-62.2-38.7177.5-55.90000112H110 L117 L118 G139 M143H110-T114 VanDerWaalsContact O-CB 3.28Å; H110-T114 WeakPolarHBondContact O-CB 3.46Å; H110-T114 PolarHBondContact O-N 3.43Å; H110-T114 PolarHBondContact O-OG1 3.16Å; T114-L117 PolarHBondContact O-N 2.88Å; T114-L118 WeakPolarHBondContact O-CB 3.4Å; T114-L118 PolarHBondContact O-N 3.29Å; T114-G139 WeakPolarHBondContact CG2-O 3.2Å; T114-M143 HydrophobicContact CG2-CB 3.87Å; T114-M143 HydrophobicContact CG2-CE 3.56Å; T114-M143 HydrophobicContact CG2-CG 4.48Å; T114-M143 HydrophobicContact CG2-SD 3.86Å
115A96.9Very high95.3Very high44 Ų4477.4 Ų77.436%0.36440%0.395SS..Hα-helixtrans-65.7-37.7176.200000112.6E111 R112 E113 L118 H119 M143E111-A115 WeakPolarHBondContact O-CB 3.4Å; E111-A115 PolarHBondContact O-N 3.19Å; R112-A115 PolarHBondContact O-N 2.98Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.96Å; A115-L118 PolarHBondContact O-N 3.39Å; A115-H119 PolarHBondContact O-N 2.84Å; A115-H119 VanDerWaalsContact O-N 3.1Å; A115-M143 HydrophobicContact CB-CE 4.42Å; A115-M143 HydrophobicContact CB-SD 4.1Å
116L95.5Very high94.8Very high117 Ų11779 Ų7961%0.61339%0.389SS*.Hα-helixtrans-66-43.8173.1-68.3173000111.2R112 E113 L118 H119 D120R112-L116 WeakPolarHBondContact O-CG 3.27Å; R112-L116 PolarHBondContact O-N 3.36Å; E113-L116 PolarHBondContact O-N 3.2Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 2.68Å; L116-H119 PolarHBondContact O-N 2.79Å; L116-D120 PolarHBondContact O-N 3.45Å
117L94.6Very high94.2Very high11 Ų1176 Ų766%0.05839%0.392CS..Hα-helixtrans-59.4-41.4175-71.2178.8000112E113 T114 D120 A121 R126 L132 E136E113-L117 WeakPolarHBondContact O-CG 3.47Å; E113-L117 PolarHBondContact O-N 3.48Å; T114-L117 PolarHBondContact O-N 2.88Å; L117-D120 PolarHBondContact O-N 3.19Å; L117-A121 WeakPolarHBondContact O-CB 3.31Å; L117-A121 PolarHBondContact O-N 3.47Å; L117-R126 VanDerWaalsContact CD2-CZ 3.41Å; L117-L132 HydrophobicContact CD1-CD2 4.16Å; L117-L132 HydrophobicContact CD2-CD2 3.83Å; L117-E136 HydrophobicContact CD1-CB 3.95Å; L117-E136 HydrophobicContact CD1-CG 4.07Å
118L94.8Very high93.8Very high27 Ų2775.8 Ų75.814%0.14142%0.416CS..Hα-helixtrans-60.7-45.5175.2178.260000111.6T114 A115 L116 A121 I122 L140 M143 V144 R147T114-L118 WeakPolarHBondContact O-CB 3.4Å; T114-L118 PolarHBondContact O-N 3.29Å; A115-L118 PolarHBondContact O-N 3.39Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 2.68Å; L118-A121 PolarHBondContact O-N 3.43Å; L118-I122 HydrophobicContact CD1-CD1 3.77Å; L118-I122 HydrophobicContact CD1-CG1 4.13Å; L118-I122 HydrophobicContact CG-CD1 3.86Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3.19Å; L118-L140 HydrophobicContact CB-CD1 3.75Å; L118-L140 HydrophobicContact CD1-CD1 3.91Å; L118-L140 HydrophobicContact CG-CD1 4.45Å; L118-M143 HydrophobicContact CD2-CG 4.1Å; L118-M143 HydrophobicContact CD2-SD 4.08Å; L118-V144 HydrophobicContact CD1-CG2 3.55Å; L118-R147 HydrophobicContact CD2-CG 4.41Å
119H94.8Very high93.4Very high113 Ų11375.7 Ų75.752%0.52342%0.418SS..Hα-helixtrans-63-41.3177174.3-109.9000112.1A115 L116 A123 R125A115-H119 PolarHBondContact O-N 2.84Å; A115-H119 VanDerWaalsContact O-N 3.1Å; L116-H119 PolarHBondContact O-N 2.79Å; H119-A123 VanDerWaalsContact O-CB 3.24Å; H119-A123 WeakPolarHBondContact O-CB 3.28Å; H119-A123 PolarHBondContact O-N 3.41Å; H119-R125 PolarHBondContact CE1-NH2 3.13Å; H119-R125 PolarHBondContact ND1-NH2 2.86Å
120D94.8Very high93Very high39 Ų3975.5 Ų75.521%0.20943%0.427CS..Hα-helixtrans-62.2-43174.1-77.1-14.3000112.5L116 L117 A123 G124 R125 R126L116-D120 PolarHBondContact O-N 3.45Å; L117-D120 PolarHBondContact O-N 3.19Å; D120-A123 PolarHBondContact O-N 2.84Å; D120-G124 PolarHBondContact O-N 3.49Å; D120-R125 HydrophobicContact CB-CB 4.37Å; D120-R125 PolarHBondContact O-N 2.89Å; D120-R125 IonicContact OD1-CZ 3.72Å; D120-R125 VanDerWaalsContact OD1-CZ 3.23Å; D120-R125 IonicContact OD1-NE 2.94Å; D120-R125 PolarHBondContact OD1-NE 3.01Å; D120-R125 IonicContact OD1-NH2 3.67Å; D120-R125 PolarHBondContact OD1-NH2 3.32Å; D120-R126 HydrophobicContact CB-CG 4.18Å; D120-R126 IonicContact OD2-NE 2.79Å
121A93.7Very high92.8Very high31 Ų3175.6 Ų75.626%0.25645%0.45SS..Hα-helixtrans-64.2-47178.700000111.6L117 L118 A123 G124 L129L117-A121 WeakPolarHBondContact O-CB 3.31Å; L117-A121 PolarHBondContact O-N 3.47Å; L118-A121 PolarHBondContact O-N 3.43Å; A121-A123 VanDerWaalsContact C-N 3.33Å; A121-A123 PolarHBondContact O-N 2.94Å; A121-G124 PolarHBondContact O-N 2.81Å; A121-G124 VanDerWaalsContact O-N 3.08Å; A121-L129 HydrophobicContact CB-CD2 3.9Å
122I92.1Very high92.6Very high133 Ų13371.7 Ų71.768%0.68243%0.432SS*.Hα-helixtrans-64.3-38.7178.3-67.8169.2000111.2L118 G124L118-I122 HydrophobicContact CD1-CD1 3.77Å; L118-I122 HydrophobicContact CD1-CG1 4.13Å; L118-I122 HydrophobicContact CG-CD1 3.86Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3.19Å; I122-G124 PolarHBondContact O-N 3.31Å
123A94Very high92.5Very high51 Ų5167.1 Ų67.142%0.42142%0.422SS..THydrogen-bonded Turntrans-74.50.917700000113.6H119 D120 A121 R125H119-A123 VanDerWaalsContact O-CB 3.24Å; H119-A123 WeakPolarHBondContact O-CB 3.28Å; H119-A123 PolarHBondContact O-N 3.41Å; D120-A123 PolarHBondContact O-N 2.84Å; A121-A123 VanDerWaalsContact C-N 3.33Å; A121-A123 PolarHBondContact O-N 2.94Å; A123-R125 HydrophobicContact CB-CG 4.35Å; A123-R125 PolarHBondContact O-N 2.92Å
124G91.3Very high92.5Very high53 Ų5368.3 Ų68.355%0.54644%0.435SS..THydrogen-bonded Turntrans70.911-17900000114.4D120 A121 I122 R126D120-G124 PolarHBondContact O-N 3.49Å; A121-G124 PolarHBondContact O-N 2.81Å; A121-G124 VanDerWaalsContact O-N 3.08Å; I122-G124 PolarHBondContact O-N 3.31Å; G124-R126 PolarHBondContact O-N 2.73Å
125R91.5Very high92.3Very high133 Ų13374.3 Ų74.350%0.50246%0.463SS..SBendtrans-73.9-13.4179.7-70.4-166.5-66.9-80.8-7.4113.4H119 D120 A123H119-R125 PolarHBondContact CE1-NH2 3.13Å; H119-R125 PolarHBondContact ND1-NH2 2.86Å; D120-R125 HydrophobicContact CB-CB 4.37Å; D120-R125 PolarHBondContact O-N 2.89Å; D120-R125 IonicContact OD1-CZ 3.72Å; D120-R125 VanDerWaalsContact OD1-CZ 3.23Å; D120-R125 IonicContact OD1-NE 2.94Å; D120-R125 PolarHBondContact OD1-NE 3.01Å; D120-R125 IonicContact OD1-NH2 3.67Å; D120-R125 PolarHBondContact OD1-NH2 3.32Å; A123-R125 HydrophobicContact CB-CG 4.35Å; A123-R125 PolarHBondContact O-N 2.92Å
126R87.3Confident92.3Very high88 Ų8875.4 Ų75.433%0.33246%0.46SS..SBendtrans-125.876.4175.8-71.3-172.6-177.2-123.28.1111.5L117 D120 G124 G128 L129L117-R126 VanDerWaalsContact CD2-CZ 3.41Å; D120-R126 HydrophobicContact CB-CG 4.18Å; D120-R126 IonicContact OD2-NE 2.79Å; G124-R126 PolarHBondContact O-N 2.73Å; R126-G128 PolarHBondContact O-N 3.42Å; R126-L129 PolarHBondContact O-N 3.46Å
127P85.6Confident92.3Very high107 Ų10773.7 Ų73.770%0.69545%0.451SS*.G310 helixtrans-63.4131.9178.926.1-33.3000110.9L129P127-L129 PolarHBondContact O-N 3.03Å; P127-L129 VanDerWaalsContact O-N 3.13Å
128G87.3Confident92.3Very high81 Ų8176.2 Ų76.284%0.83547%0.473SS*.G310 helixtrans66.48.7179.700000115.3R126 A130R126-G128 PolarHBondContact O-N 3.42Å; G128-A130 PolarHBondContact O-N 2.9Å; G128-A130 VanDerWaalsContact O-N 3.07Å
129L89Confident92.4Very high64 Ų6475.4 Ų75.434%0.33547%0.472SS..G310 helixtrans51.929.8-176.4-59179.2000113.3A121 R126 P127 L132 L140A121-L129 HydrophobicContact CB-CD2 3.9Å; R126-L129 PolarHBondContact O-N 3.46Å; P127-L129 PolarHBondContact O-N 3.03Å; P127-L129 VanDerWaalsContact O-N 3.13Å; L129-L132 HydrophobicContact CB-CD1 4.07Å; L129-L132 HydrophobicContact CD2-CD1 4.18Å; L129-L140 HydrophobicContact CD1-CD2 3.93Å; L129-L140 HydrophobicContact CD2-CD2 3.8Å
130A88.1Confident92.4Very high77 Ų7770.4 Ų70.464%0.63645%0.449SS*.THydrogen-bonded Turntrans-65.8144.5-177.500000111.5G128 L132G128-A130 PolarHBondContact O-N 2.9Å; G128-A130 VanDerWaalsContact O-N 3.07Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.06Å
131G90.2Very high92.5Very high83 Ų8370.4 Ų70.486%0.85646%0.458SS*.THydrogen-bonded Turntrans79.94.2176.200000115.6
132L92.8Very high92.6Very high20 Ų2076.1 Ų76.111%0.10547%0.473CS..  trans-81.6145.1173.6-65.9-177.8000112L117 L129 A130 E136 I137 L140L117-L132 HydrophobicContact CD1-CD2 4.16Å; L117-L132 HydrophobicContact CD2-CD2 3.83Å; L129-L132 HydrophobicContact CB-CD1 4.07Å; L129-L132 HydrophobicContact CD2-CD1 4.18Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.06Å; L132-E136 VanDerWaalsContact CA-OE2 3.25Å; L132-E136 WeakPolarHBondContact CA-OE2 3.37Å; L132-E136 HydrophobicContact CB-CB 4.13Å; L132-E136 HydrophobicContact CD2-CB 4.19Å; L132-E136 WeakPolarHBondContact CD2-OE2 3.44Å; L132-I137 HydrophobicContact CB-CD1 4.13Å; L132-I137 HydrophobicContact CB-CG1 3.67Å; L132-I137 HydrophobicContact CD1-CG1 4.26Å; L132-L140 HydrophobicContact CD1-CD2 4.38Å
133S95.2Very high92.8Very high46 Ų4670.6 Ų70.632%0.32245%0.445SS..  trans-70.5163.2170.496.70000111.3E135 E136 I137S133-E135 WeakPolarHBondContact CB-OE2 3.27Å; S133-E135 PolarHBondContact O-N 2.83Å; S133-E135 PolarHBondContact OG-N 3.01Å; S133-E135 PolarHBondContact OG-OE2 3.48Å; S133-E136 PolarHBondContact N-OE2 3.41Å; S133-E136 PolarHBondContact O-N 3.39Å; S133-E136 PolarHBondContact OG-N 3.32Å; S133-I137 WeakPolarHBondContact O-CG1 3.39Å; S133-I137 PolarHBondContact O-N 3.24Å
134V95Very high93Very high114 Ų11470.7 Ų70.769%0.69144%0.44SS*.Hα-helixtrans-60.3-38.9176.6179.10000110.7I137 A138V134-I137 PolarHBondContact O-N 3.13Å; V134-A138 VanDerWaalsContact O-CB 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 2.93Å
135E94Very high93.3Very high128 Ų12873.8 Ų73.860%0.59844%0.44SS*.Hα-helixtrans-65.1-41.7177-58.475.3-164.300111.9S133 A138 G139S133-E135 WeakPolarHBondContact CB-OE2 3.27Å; S133-E135 PolarHBondContact O-N 2.83Å; S133-E135 PolarHBondContact OG-N 3.01Å; S133-E135 PolarHBondContact OG-OE2 3.48Å; E135-A138 PolarHBondContact O-N 3.29Å; E135-G139 PolarHBondContact O-N 3.46Å
136E95.5Very high93.5Very high67 Ų6770.8 Ų70.831%0.31343%0.434SS..Hα-helixtrans-65.1-43.7176.7-69.5177.8133.800111.6L117 L132 S133 G139 L140L117-E136 HydrophobicContact CD1-CB 3.95Å; L117-E136 HydrophobicContact CD1-CG 4.07Å; L132-E136 VanDerWaalsContact CA-OE2 3.25Å; L132-E136 WeakPolarHBondContact CA-OE2 3.37Å; L132-E136 HydrophobicContact CB-CB 4.13Å; L132-E136 HydrophobicContact CD2-CB 4.19Å; L132-E136 WeakPolarHBondContact CD2-OE2 3.44Å; S133-E136 PolarHBondContact N-OE2 3.41Å; S133-E136 PolarHBondContact O-N 3.39Å; S133-E136 PolarHBondContact OG-N 3.32Å; E136-G139 PolarHBondContact O-N 2.96Å; E136-L140 VanDerWaalsContact O-CB 3.23Å; E136-L140 WeakPolarHBondContact O-CB 3.37Å; E136-L140 PolarHBondContact O-N 2.84Å
137I95.6Very high93.9Very high82 Ų8274.4 Ų74.442%0.42145%0.448SS..Hα-helixtrans-64.3-43.4177.2-65.6168.3000110.5L132 S133 V134 L140 G141L132-I137 HydrophobicContact CB-CD1 4.13Å; L132-I137 HydrophobicContact CB-CG1 3.67Å; L132-I137 HydrophobicContact CD1-CG1 4.26Å; S133-I137 WeakPolarHBondContact O-CG1 3.39Å; S133-I137 PolarHBondContact O-N 3.24Å; V134-I137 PolarHBondContact O-N 3.13Å; I137-L140 PolarHBondContact O-N 3.15Å; I137-G141 PolarHBondContact O-N 3.48Å
138A95.8Very high94.5Very high63 Ų6374 Ų7452%0.52144%0.439SS..Hα-helixtrans-64.2-46178.200000111.9V134 E135 L140 G141 W142V134-A138 VanDerWaalsContact O-CB 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 2.93Å; E135-A138 PolarHBondContact O-N 3.29Å; A138-L140 VanDerWaalsContact C-N 3.34Å; A138-L140 PolarHBondContact O-N 2.8Å; A138-G141 PolarHBondContact O-N 3.12Å; A138-W142 PolarHBondContact O-N 2.8Å
139G95.8Very high95Very high10 Ų1073 Ų7310%0.10342%0.415CS..Hα-helixtrans-59.7-45175.200000111.9T114 E135 E136 W142 M143T114-G139 WeakPolarHBondContact CG2-O 3.2Å; E135-G139 PolarHBondContact O-N 3.46Å; E136-G139 PolarHBondContact O-N 2.96Å; G139-W142 PolarHBondContact O-N 3.13Å; G139-M143 WeakPolarHBondContact O-CB 3.46Å; G139-M143 PolarHBondContact O-N 3.28Å
140L96.2Very high95.4Very high8 Ų871.9 Ų71.94%0.04242%0.419CS..Hα-helixtrans-62.2-47.1177.7-179.461.2000111.7L118 L129 L132 E136 I137 A138 W142 M143 V144L118-L140 HydrophobicContact CB-CD1 3.75Å; L118-L140 HydrophobicContact CD1-CD1 3.91Å; L118-L140 HydrophobicContact CG-CD1 4.45Å; L129-L140 HydrophobicContact CD1-CD2 3.93Å; L129-L140 HydrophobicContact CD2-CD2 3.8Å; L132-L140 HydrophobicContact CD1-CD2 4.38Å; E136-L140 VanDerWaalsContact O-CB 3.23Å; E136-L140 WeakPolarHBondContact O-CB 3.37Å; E136-L140 PolarHBondContact O-N 2.84Å; I137-L140 PolarHBondContact O-N 3.15Å; A138-L140 VanDerWaalsContact C-N 3.34Å; A138-L140 PolarHBondContact O-N 2.8Å; L140-W142 PolarHBondContact O-N 3.07Å; L140-M143 PolarHBondContact O-N 3.15Å; L140-V144 HydrophobicContact CD1-CG2 4.26Å; L140-V144 WeakPolarHBondContact O-CG2 3.29Å; L140-V144 PolarHBondContact O-N 3.12Å
141G95.8Very high95.8Very high40 Ų4072.2 Ų72.241%0.41241%0.413SS..Hα-helixtrans-57.6-49.5177.600000112.2I137 A138 M143 V144 E145I137-G141 PolarHBondContact O-N 3.48Å; A138-G141 PolarHBondContact O-N 3.12Å; G141-M143 VanDerWaalsContact C-N 3.32Å; G141-M143 PolarHBondContact O-N 3.24Å; G141-V144 PolarHBondContact O-N 3.05Å; G141-E145 PolarHBondContact O-N 3.28Å
142W96.7Very high96.1Very high151 Ų15173.8 Ų73.857%0.57240%0.396SS*.Hα-helixtrans-59-42.5176.1179.184.2000112.3A138 G139 L140 E145 N146A138-W142 PolarHBondContact O-N 2.8Å; G139-W142 PolarHBondContact O-N 3.13Å; L140-W142 PolarHBondContact O-N 3.07Å; W142-E145 PolarHBondContact O-N 3.15Å; W142-N146 WeakPolarHBondContact CH2-ND2 3.49Å; W142-N146 WeakPolarHBondContact CZ2-ND2 3.2Å; W142-N146 WeakPolarHBondContact CZ3-ND2 3.18Å; W142-N146 PolarHBondContact O-N 3.33Å
143M96.9Very high96.4Very high17 Ų1776.4 Ų76.48%0.08441%0.41CS..Hα-helixtrans-66.8-42.2179.3-172.3170.3-67.200112T114 A115 L118 G139 L140 G141 N146 R147T114-M143 HydrophobicContact CG2-CB 3.87Å; T114-M143 HydrophobicContact CG2-CE 3.56Å; T114-M143 HydrophobicContact CG2-CG 4.48Å; T114-M143 HydrophobicContact CG2-SD 3.86Å; A115-M143 HydrophobicContact CB-CE 4.42Å; A115-M143 HydrophobicContact CB-SD 4.1Å; L118-M143 HydrophobicContact CD2-CG 4.1Å; L118-M143 HydrophobicContact CD2-SD 4.08Å; G139-M143 WeakPolarHBondContact O-CB 3.46Å; G139-M143 PolarHBondContact O-N 3.28Å; L140-M143 PolarHBondContact O-N 3.15Å; G141-M143 VanDerWaalsContact C-N 3.32Å; G141-M143 PolarHBondContact O-N 3.24Å; M143-N146 PolarHBondContact O-N 3.4Å; M143-R147 HydrophobicContact CG-CG 4.44Å; M143-R147 WeakPolarHBondContact O-CG 3.46Å; M143-R147 PolarHBondContact O-N 3.42Å
144V96.7Very high96.4Very high53 Ų5376.3 Ų76.332%0.32141%0.412SS..Hα-helixtrans-60-48.6175.9170.20000110.5L118 L140 G141 N146 R147 L148L118-V144 HydrophobicContact CD1-CG2 3.55Å; L140-V144 HydrophobicContact CD1-CG2 4.26Å; L140-V144 WeakPolarHBondContact O-CG2 3.29Å; L140-V144 PolarHBondContact O-N 3.12Å; G141-V144 PolarHBondContact O-N 3.05Å; V144-N146 PolarHBondContact O-N 2.94Å; V144-R147 PolarHBondContact O-N 3.36Å; V144-L148 HydrophobicContact CG1-CD1 3.84Å; V144-L148 HydrophobicContact CG1-CG 4.25Å; V144-L148 WeakPolarHBondContact O-CG 3.27Å; V144-L148 PolarHBondContact O-N 3.47Å
145E97.6Very high96.5Very high118 Ų11874.9 Ų74.955%0.55140%0.4SS*.Hα-helixtrans-57.7-47.8179.2-176.6171.3-156.300111.7G141 W142 R147 L148 N149G141-E145 PolarHBondContact O-N 3.28Å; W142-E145 PolarHBondContact O-N 3.15Å; E145-R147 VanDerWaalsContact C-N 3.33Å; E145-R147 PolarHBondContact O-N 3.44Å; E145-L148 PolarHBondContact O-N 3.4Å; E145-N149 VanDerWaalsContact O-CG 3.29Å; E145-N149 PolarHBondContact O-N 2.77Å; E145-N149 PolarHBondContact O-ND2 2.81Å
146N96.7Very high96.6Very high69 Ų6974.6 Ų74.637%0.36940%0.398SS..Hα-helixtrans-60.5-40.8176.8-78.8-10.1000113.1W142 M143 V144 G150W142-N146 WeakPolarHBondContact CH2-ND2 3.49Å; W142-N146 WeakPolarHBondContact CZ2-ND2 3.2Å; W142-N146 WeakPolarHBondContact CZ3-ND2 3.18Å; W142-N146 PolarHBondContact O-N 3.33Å; M143-N146 PolarHBondContact O-N 3.4Å; V144-N146 PolarHBondContact O-N 2.94Å; N146-G150 PolarHBondContact O-N 2.67Å
147R95.6Very high96.6Very high164 Ų16479.9 Ų79.962%0.61942%0.415SS*.Hα-helixtrans-68.6-41.4178.3-67.3-66.2-178.6-169.9-0.8111.4L118 M143 V144 E145 N149 G150 V151L118-R147 HydrophobicContact CD2-CG 4.41Å; M143-R147 HydrophobicContact CG-CG 4.44Å; M143-R147 WeakPolarHBondContact O-CG 3.46Å; M143-R147 PolarHBondContact O-N 3.42Å; V144-R147 PolarHBondContact O-N 3.36Å; E145-R147 VanDerWaalsContact C-N 3.33Å; E145-R147 PolarHBondContact O-N 3.44Å; R147-N149 VanDerWaalsContact C-N 3.34Å; R147-G150 PolarHBondContact O-N 3.04Å; R147-V151 WeakPolarHBondContact O-CG2 3.48Å; R147-V151 PolarHBondContact O-N 2.72Å
148L97.3Very high96.6Very high98 Ų9881.8 Ų81.851%0.51343%0.426SS..Hα-helixtrans-62.1-42.6175.7-72.6175.3000111.5V144 E145 V151 K152V144-L148 HydrophobicContact CG1-CD1 3.84Å; V144-L148 HydrophobicContact CG1-CG 4.25Å; V144-L148 WeakPolarHBondContact O-CG 3.27Å; V144-L148 PolarHBondContact O-N 3.47Å; E145-L148 PolarHBondContact O-N 3.4Å; L148-V151 PolarHBondContact O-N 3.36Å; L148-K152 WeakPolarHBondContact O-CG 3.38Å; L148-K152 PolarHBondContact O-N 2.75Å
149N97.7Very high96.5Very high61 Ų6184.3 Ų84.333%0.32643%0.427SS..Hα-helixtrans-63.5-43.7175.3-67.7-21.5000111.4E145 R147 V151 K152 D153E145-N149 VanDerWaalsContact O-CG 3.29Å; E145-N149 PolarHBondContact O-N 2.77Å; E145-N149 PolarHBondContact O-ND2 2.81Å; R147-N149 VanDerWaalsContact C-N 3.34Å; N149-V151 VanDerWaalsContact C-N 3.28Å; N149-V151 PolarHBondContact O-N 3.01Å; N149-K152 WeakPolarHBondContact O-CB 3.44Å; N149-K152 PolarHBondContact O-N 3.4Å; N149-K152 VanDerWaalsContact O-N 3.15Å; N149-K152 PolarHBondContact OD1-NZ 3.31Å; N149-D153 PolarHBondContact O-N 2.91Å
150G97.2Very high96.4Very high41 Ų4187 Ų8742%0.42345%0.448SS..Hα-helixtrans-60.1-35.3173.900000113.9N146 R147 A154N146-G150 PolarHBondContact O-N 2.67Å; R147-G150 PolarHBondContact O-N 3.04Å; G150-A154 WeakPolarHBondContact O-CB 3.39Å; G150-A154 PolarHBondContact O-N 3.45Å; G150-A154 VanDerWaalsContact O-N 3.14Å
151V97.3Very high96Very high84 Ų8489.4 Ų89.451%0.50947%0.469SS..Hα-helixtrans-69.9-42.1174.21710000111.4R147 L148 N149 A154 I155R147-V151 WeakPolarHBondContact O-CG2 3.48Å; R147-V151 PolarHBondContact O-N 2.72Å; L148-V151 PolarHBondContact O-N 3.36Å; N149-V151 VanDerWaalsContact C-N 3.28Å; N149-V151 PolarHBondContact O-N 3.01Å; V151-A154 PolarHBondContact O-N 3.05Å; V151-I155 HydrophobicContact CG1-CD1 3.91Å; V151-I155 HydrophobicContact CG1-CG1 4.47Å; V151-I155 WeakPolarHBondContact O-CG1 3.49Å; V151-I155 PolarHBondContact O-N 3.46Å
152K97.8Very high95.7Very high116 Ų11692.6 Ų92.650%0.50448%0.48SS..Hα-helixtrans-58.6-50.3175.6-70.4170.3-171.7168.60111.2L148 N149 A154 I155 E156L148-K152 WeakPolarHBondContact O-CG 3.38Å; L148-K152 PolarHBondContact O-N 2.75Å; N149-K152 WeakPolarHBondContact O-CB 3.44Å; N149-K152 PolarHBondContact O-N 3.4Å; N149-K152 VanDerWaalsContact O-N 3.15Å; N149-K152 PolarHBondContact OD1-NZ 3.31Å; K152-A154 VanDerWaalsContact C-N 3.25Å; K152-A154 PolarHBondContact O-N 3.39Å; K152-I155 WeakPolarHBondContact O-CB 3.27Å; K152-I155 PolarHBondContact O-N 3.43Å; K152-I155 VanDerWaalsContact O-N 3.09Å; K152-E156 PolarHBondContact O-N 2.98Å
153D97.6Very high94.7Very high74 Ų7489.3 Ų89.340%0.39649%0.486SS..Hα-helixtrans-58.6-38.8177.7-67.8-1.7000111.8N149 R157N149-D153 PolarHBondContact O-N 2.91Å; D153-R157 VanDerWaalsContact O-CG 3.26Å; D153-R157 WeakPolarHBondContact O-CG 3.38Å; D153-R157 PolarHBondContact O-N 2.92Å; D153-R157 VanDerWaalsContact O-N 3.08Å
154A96.6Very high93Very high44 Ų4491.9 Ų91.936%0.36452%0.516SS..Hα-helixtrans-66.4-41177.100000112G150 V151 K152 R157 L158G150-A154 WeakPolarHBondContact O-CB 3.39Å; G150-A154 PolarHBondContact O-N 3.45Å; G150-A154 VanDerWaalsContact O-N 3.14Å; V151-A154 PolarHBondContact O-N 3.05Å; K152-A154 VanDerWaalsContact C-N 3.25Å; K152-A154 PolarHBondContact O-N 3.39Å; A154-R157 PolarHBondContact O-N 2.92Å; A154-L158 VanDerWaalsContact O-CG 3.29Å; A154-L158 WeakPolarHBondContact O-CG 3.06Å; A154-L158 PolarHBondContact O-N 3.41Å
155I97Very high91Very high84 Ų8497.7 Ų97.743%0.43154%0.537SS..Hα-helixtrans-61.4-46.5175.9-69.6166000110.4V151 K152 R157 L158 Q159V151-I155 HydrophobicContact CG1-CD1 3.91Å; V151-I155 HydrophobicContact CG1-CG1 4.47Å; V151-I155 WeakPolarHBondContact O-CG1 3.49Å; V151-I155 PolarHBondContact O-N 3.46Å; K152-I155 WeakPolarHBondContact O-CB 3.27Å; K152-I155 PolarHBondContact O-N 3.43Å; K152-I155 VanDerWaalsContact O-N 3.09Å; I155-R157 PolarHBondContact O-N 3.03Å; I155-L158 PolarHBondContact O-N 3.47Å; I155-Q159 HydrophobicContact CG2-CG 4.45Å; I155-Q159 VanDerWaalsContact O-CG 3.3Å; I155-Q159 WeakPolarHBondContact O-CG 3.38Å; I155-Q159 PolarHBondContact O-N 3.44Å
156E96.1Very high88.6Confident122 Ų12295.9 Ų95.957%0.5755%0.55SS**Hα-helixtrans-61.7-43179.2-70178.1-176.400112.3K152 L158 Q159 A160K152-E156 PolarHBondContact O-N 2.98Å; E156-L158 PolarHBondContact O-N 3.01Å; E156-Q159 PolarHBondContact O-N 3.01Å; E156-A160 PolarHBondContact O-N 2.9Å
157R95.2Very high86.1Confident178 Ų17895.6 Ų95.667%0.67256%0.563SS**Hα-helixtrans-63-41.6176.3-71.3172.6-164.4169.77.9112.3D153 A154 I155 Q159 A160 A161D153-R157 VanDerWaalsContact O-CG 3.26Å; D153-R157 WeakPolarHBondContact O-CG 3.38Å; D153-R157 PolarHBondContact O-N 2.92Å; D153-R157 VanDerWaalsContact O-N 3.08Å; A154-R157 PolarHBondContact O-N 2.92Å; I155-R157 PolarHBondContact O-N 3.03Å; R157-Q159 VanDerWaalsContact C-N 3.35Å; R157-A160 PolarHBondContact O-N 3.33Å; R157-A161 WeakPolarHBondContact O-CB 3.15Å; R157-A161 PolarHBondContact O-N 3.09Å
158L95Very high83.5Confident122 Ų12296.4 Ų96.464%0.63957%0.574SS**Hα-helixtrans-64.3-41.8176.7-72.2171.5000111A154 I155 E156 A161 T162A154-L158 VanDerWaalsContact O-CG 3.29Å; A154-L158 WeakPolarHBondContact O-CG 3.06Å; A154-L158 PolarHBondContact O-N 3.41Å; I155-L158 PolarHBondContact O-N 3.47Å; E156-L158 PolarHBondContact O-N 3.01Å; L158-A161 PolarHBondContact O-N 3.4Å; L158-T162 WeakPolarHBondContact O-CG2 3.45Å; L158-T162 PolarHBondContact O-N 2.92Å; L158-T162 PolarHBondContact O-OG1 3.03Å
159Q94.1Very high80.8Confident117 Ų11799.6 Ų99.655%0.54759%0.592SS.*Hα-helixtrans-63-45.4176.1-71.6172.4-8.100112.1I155 E156 R157 A161 T162 A163I155-Q159 HydrophobicContact CG2-CG 4.45Å; I155-Q159 VanDerWaalsContact O-CG 3.3Å; I155-Q159 WeakPolarHBondContact O-CG 3.38Å; I155-Q159 PolarHBondContact O-N 3.44Å; E156-Q159 PolarHBondContact O-N 3.01Å; R157-Q159 VanDerWaalsContact C-N 3.35Å; Q159-A161 PolarHBondContact O-N 2.95Å; Q159-T162 WeakPolarHBondContact CA-OG1 3.48Å; Q159-T162 PolarHBondContact O-N 2.85Å; Q159-T162 PolarHBondContact O-OG1 2.83Å; Q159-A163 PolarHBondContact O-N 3.47Å
160A92.4Very high78.1Confident67 Ų67102.5 Ų102.555%0.55461%0.612SS**Hα-helixtrans-61.7-41.1176.900000112.5E156 R157 T162 A163 G164E156-A160 PolarHBondContact O-N 2.9Å; R157-A160 PolarHBondContact O-N 3.33Å; A160-T162 VanDerWaalsContact C-N 3.32Å; A160-T162 PolarHBondContact O-N 3.03Å; A160-A163 PolarHBondContact O-N 3.09Å; A160-G164 PolarHBondContact O-N 3.37Å; A160-G164 VanDerWaalsContact O-N 3.16Å
161A89.5Confident75.4Confident57 Ų57106.6 Ų106.647%0.47163%0.628SS.*Hα-helixtrans-65-35.3176.500000112.6R157 L158 Q159 K165R157-A161 WeakPolarHBondContact O-CB 3.15Å; R157-A161 PolarHBondContact O-N 3.09Å; L158-A161 PolarHBondContact O-N 3.4Å; Q159-A161 PolarHBondContact O-N 2.95Å; A161-K165 PolarHBondContact O-N 3.17Å
162T88.1Confident72.6Confident107 Ų107110 Ų11066%0.65664%0.643SS**Hα-helixtrans-72.2-32.6175.156.90000112.9L158 Q159 A160L158-T162 WeakPolarHBondContact O-CG2 3.45Å; L158-T162 PolarHBondContact O-N 2.92Å; L158-T162 PolarHBondContact O-OG1 3.03Å; Q159-T162 WeakPolarHBondContact CA-OG1 3.48Å; Q159-T162 PolarHBondContact O-N 2.85Å; Q159-T162 PolarHBondContact O-OG1 2.83Å; A160-T162 VanDerWaalsContact C-N 3.32Å; A160-T162 PolarHBondContact O-N 3.03Å
163A76Confident69.9Low83 Ų83110.1 Ų110.169%0.68666%0.655SS**Hα-helixtrans-70.7-32.4176.700000112.9Q159 A160Q159-A163 PolarHBondContact O-N 3.47Å; A160-A163 PolarHBondContact O-N 3.09Å
164G62Low67.1Low70 Ų70113.7 Ų113.772%0.72267%0.674SS**Hα-helixtrans-83.9-12.8179.200000115.7A160A160-G164 PolarHBondContact O-N 3.37Å; A160-G164 VanDerWaalsContact O-N 3.16Å
165K55.1Low64.9Low176 Ų176117.7 Ų117.777%0.76570%0.696SS**THydrogen-bonded Turntrans-100.720.5-179.2-78.4-170174.7-175.70114.3A161 G167A161-K165 PolarHBondContact O-N 3.17Å; K165-G167 PolarHBondContact O-N 3Å
166G46.5Very low62.5Low80 Ų80117.8 Ų117.883%0.82571%0.71SS**SBendtrans-69.576.8163.100000111
167G44.9Very low59.9Low62 Ų62118.6 Ų118.664%0.63972%0.723SS**SBendtrans14261.217000000115.6K165K165-G167 PolarHBondContact O-N 3Å
168Q40.1Very low57.1Low182 Ų182114.3 Ų114.385%0.8573%0.726SS**  trans-168.5117.9146.2-106.4160.654.200109.4V170Q168-V170 PolarHBondContact O-N 3.41Å
169D41.2Very low54.2Low164 Ų164114.8 Ų114.888%0.87773%0.734SS**  trans-51.2105174.3-77-48.8000110.9V171D169-V171 PolarHBondContact O-N 3.1Å
170V41.2Very low51.5Low123 Ų123114.5 Ų114.575%0.74574%0.741SS**  trans-91.293.3165.3-177.10000106.8Q168 L172Q168-V170 PolarHBondContact O-N 3.41Å; V170-L172 PolarHBondContact O-N 3.48Å
171V39.4Very low48.9Very low126 Ų126118.4 Ų118.476%0.76475%0.752SS**PPolyproline II helixtrans-54119.7164.9172.40000108.2D169 P173D169-V171 PolarHBondContact O-N 3.1Å; V171-P173 WeakPolarHBondContact O-CD 3.44Å
172L38.9Very low46.3Very low157 Ų157123 Ų12382%0.82277%0.768SS**PPolyproline II helixtrans-57.1125.4172.7-88.383.4000109.7V170V170-L172 PolarHBondContact O-N 3.48Å
173P41.3Very low43.8Very low117 Ų117126.5 Ų126.576%0.7678%0.777SS**PPolyproline II helixtrans-78.8131164.329.7-27.3000109.8V171V171-P173 WeakPolarHBondContact O-CD 3.44Å
174D37.8Very low42Very low149 Ų149129.9 Ų129.980%0.79778%0.782SS**PPolyproline II helixtrans-50.6141.4179-97.8-42.8000113.4A176D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.02Å; D174-A176 VanDerWaalsContact O-N 3.08Å
175P50.2Low40.5Very low128 Ų128135.5 Ų135.583%0.83179%0.79SS**THydrogen-bonded Turntrans-81.720.4-165.732.3-35.8000116.2
176A47.3Very low39.5Very low87 Ų87134.1 Ų134.172%0.71979%0.79SS**THydrogen-bonded Turntrans-98.2-5.9-165.900000117.7D174D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.02Å; D174-A176 VanDerWaalsContact O-N 3.08Å
177T40.9Very low38.8Very low138 Ų138135.3 Ų135.385%0.84778%0.783SS**SBendtrans-136.121.6-170.127.60000117.7
178A37Very low38.3Very low88 Ų88141.5 Ų141.573%0.72780%0.796SS**  trans-104.261171.700000112.1T180A178-T180 PolarHBondContact O-N 3.14Å
179T34.8Very low38.1Very low133 Ų133138.5 Ų138.582%0.81679%0.789SS**  trans-78.975.2160.6-57.60000107.7N181T179-N181 PolarHBondContact O-N 3.12Å
180T37.7Very low37.7Very low111 Ų111135.9 Ų135.968%0.68178%0.784SS**  trans-84.5100.3173.9-14.50000107.6A178 L182A178-T180 PolarHBondContact O-N 3.14Å; T180-L182 VanDerWaalsContact C-N 3.33Å; T180-L182 PolarHBondContact O-N 3.15Å
181N37.2Very low37.3Very low148 Ų148137.5 Ų137.579%0.79179%0.788SS**  trans-48.792.3168.2-101.3-31.2000110.4T179T179-N181 PolarHBondContact O-N 3.12Å
182L34.5Very low37Very low153 Ų153138.8 Ų138.880%0.80179%0.789SS**  trans-100.879.1167.8-75.2169.4000107.4T180 L184T180-L182 VanDerWaalsContact C-N 3.33Å; T180-L182 PolarHBondContact O-N 3.15Å; L182-L184 PolarHBondContact O-N 2.85Å
183Q35.1Very low36.8Very low181 Ų181136.4 Ų136.485%0.84678%0.783SS**  trans-70.3103.1172.4-161159.68.500108.1Q185Q183-Q185 PolarHBondContact O-N 3.13Å
184L38.3Very low36.4Very low154 Ų154139.1 Ų139.181%0.80679%0.791SS**  trans-6298.3179.4-77.2155000110.3L182 L186L182-L184 PolarHBondContact O-N 2.85Å; L184-L186 PolarHBondContact O-N 3.17Å
185Q32.3Very low36.2Very low189 Ų189137.9 Ų137.988%0.88379%0.788SS**  trans-85.394.6170.6-152.1154.8-34.800108.4Q183Q183-Q185 PolarHBondContact O-N 3.13Å
186L33.5Very low35.3Very low147 Ų147136.5 Ų136.577%0.7778%0.779SS**  trans-53.8131174.4-152.779000108.9L184 Q188L184-L186 PolarHBondContact O-N 3.17Å; L186-Q188 PolarHBondContact O-N 3.48Å
187P31.6Very low34.4Very low104 Ų104143.8 Ų143.868%0.67579%0.79SS**  trans-63.4109.2175.823-29.5000108.4V189P187-V189 VanDerWaalsContact C-N 3.28Å; P187-V189 PolarHBondContact O-N 2.74Å
188Q34.2Very low34Very low192 Ų192141.6 Ų141.690%0.89778%0.78SS**  trans-66.692.3172.5-67.1-148.5-63.200108.3L186 S190L186-Q188 PolarHBondContact O-N 3.48Å; Q188-S190 PolarHBondContact O-N 2.94Å; Q188-S190 VanDerWaalsContact O-N 3.11Å
189V35Very low33.7Very low119 Ų119143.9 Ų143.972%0.72179%0.785SS**  trans-70.6106.1165.2-171.90000105.6P187 L191P187-V189 VanDerWaalsContact C-N 3.28Å; P187-V189 PolarHBondContact O-N 2.74Å; V189-L191 VanDerWaalsContact C-N 3.26Å; V189-L191 PolarHBondContact O-N 3.08Å
190S33.6Very low33.5Very low110 Ų110144.8 Ų144.877%0.76979%0.785SS**  trans-61.792.3172.6-130.30000108.1Q188 L192Q188-S190 PolarHBondContact O-N 2.94Å; Q188-S190 VanDerWaalsContact O-N 3.11Å; S190-L192 VanDerWaalsContact C-N 3.27Å; S190-L192 PolarHBondContact O-N 3.09Å
191L33.1Very low33.2Very low156 Ų156143.6 Ų143.682%0.81779%0.786SS**  trans-64.791.7168.8-80.5160.8000106.7V189 P193V189-L191 VanDerWaalsContact C-N 3.26Å; V189-L191 PolarHBondContact O-N 3.08Å; L191-P193 WeakPolarHBondContact O-CD 3.34Å
192L33.2Very low33.2Very low153 Ų153142.4 Ų142.480%0.80179%0.787SS**  trans-59.7123.2162.7-76.2170.2000106.6S190 L194S190-L192 VanDerWaalsContact C-N 3.27Å; S190-L192 PolarHBondContact O-N 3.09Å; L192-L194 PolarHBondContact O-N 2.7Å
193P34.7Very low33.3Very low107 Ų107139.2 Ų139.270%0.69578%0.782SS**  trans-56.3132.2177.7-20.330.1000109.1L191 V195L191-P193 WeakPolarHBondContact O-CD 3.34Å; P193-V195 VanDerWaalsContact C-N 3.33Å; P193-V195 PolarHBondContact O-N 3.45Å
194L31.9Very low33Very low174 Ų174139.2 Ų139.291%0.91178%0.782SS**  trans-56.999.5166-82.3137.5000107.3L192 P196L192-L194 PolarHBondContact O-N 2.7Å; L194-P196 WeakPolarHBondContact O-CD 3.03Å
195V35Very low32.9Very low123 Ų123140.2 Ų140.275%0.74578%0.782SS**  trans-65.8119.9175.7-170.40000106.4P193 Y197P193-V195 VanDerWaalsContact C-N 3.33Å; P193-V195 PolarHBondContact O-N 3.45Å; V195-Y197 PolarHBondContact O-N 2.63Å
196P29.9Very low32.5Very low100 Ų100134.6 Ų134.665%0.64978%0.776SS**  trans-62128.1177.1-12.324.7000108.3L194 S198L194-P196 WeakPolarHBondContact O-CD 3.03Å; P196-S198 VanDerWaalsContact C-N 3.32Å; P196-S198 PolarHBondContact O-N 3.08Å; P196-S198 PolarHBondContact O-OG 3.07Å
197Y29.9Very low32.4Very low240 Ų240136.9 Ų136.994%0.94178%0.782SS**  trans-56.897.1169.7-95.6-100.4000108.5V195V195-Y197 PolarHBondContact O-N 2.63Å
198S30.9Very low32.3Very low91 Ų91136.2 Ų136.264%0.63679%0.785SS**  trans-90.6112.4173.7-55.50000107.2P196 D200P196-S198 VanDerWaalsContact C-N 3.32Å; P196-S198 PolarHBondContact O-N 3.08Å; P196-S198 PolarHBondContact O-OG 3.07Å; S198-D200 VanDerWaalsContact C-N 3.34Å; S198-D200 PolarHBondContact O-N 3.26Å; S198-D200 VanDerWaalsContact O-N 3.14Å
199V31.4Very low31.9Very low137 Ų137130.5 Ų130.583%0.8378%0.778SS**  trans-78.787174.4-177.60000106.9A201V199-A201 PolarHBondContact O-N 2.79Å
200D31.3Very low31.6Very low151 Ų151131 Ų13181%0.80778%0.781SS**  trans-77.1105.5170.4-80.9-28.7000109.1S198S198-D200 VanDerWaalsContact C-N 3.34Å; S198-D200 PolarHBondContact O-N 3.26Å; S198-D200 VanDerWaalsContact O-N 3.14Å
201A30Very low31.3Very low86 Ų86132.5 Ų132.571%0.71179%0.785SS**  trans-67.3137.2168.300000110.2V199 A203V199-A201 PolarHBondContact O-N 2.79Å; A201-A203 PolarHBondContact O-N 3.3Å
202P38.6Very low31.2Very low124 Ų124133.3 Ų133.381%0.80578%0.784SS**  trans-77.7124.5-173.628.6-31.4000112.1E204P202-E204 PolarHBondContact O-N 3.22Å
203A35.2Very low30.9Very low86 Ų86135.2 Ų135.271%0.71179%0.789SS**  trans-80.3112.5167.800000110.1A201 H205A201-A203 PolarHBondContact O-N 3.3Å; A203-H205 PolarHBondContact O-N 3.03Å
204E30.5Very low30.6Very low181 Ų181134.8 Ų134.885%0.84680%0.795SS**  trans-63.7122173.7-58.5-161.615100111.1P202P202-E204 PolarHBondContact O-N 3.22Å
205H34.9Very low30.4Very low174 Ų174130.7 Ų130.781%0.80679%0.786SS**  trans-132.499.7159.7-73.875.2000107.6A203A203-H205 PolarHBondContact O-N 3.03Å
206G25.2Very low30.2Very low72 Ų72130 Ų13074%0.74279%0.793SS**  trans-63.4140.7170.600000110.6
207H31.2Very low30.7Very low194 Ų194131.6 Ų131.690%0.89879%0.792SS**  trans-137.5127.4155.5-118.7-76000109.5
208A28.6Very low31.3Very low90 Ų90125 Ų12574%0.74478%0.779SS**  trans-58.8144-166.100000113.6
209G25.1Very low32.1Very low73 Ų73129.8 Ų129.875%0.75379%0.791SS**  trans-59.3137.5177.300000113.4
210V29.5Very low33.1Very low130 Ų130125.5 Ų125.579%0.78877%0.77SS**  trans-100.1108.6157.5177.40000106H212V210-H212 PolarHBondContact O-N 3.12Å
211V26.2Very low34.2Very low140 Ų140121.7 Ų121.785%0.84875%0.754SS**  trans-63.8117.9173.8-151.40000106.7
212H31.4Very low35.4Very low174 Ų174122.1 Ų122.181%0.80675%0.751SS**  trans-106.5119.5165.8-112.443.7000108.1V210 A214V210-H212 PolarHBondContact O-N 3.12Å; H212-A214 PolarHBondContact O-N 3.41Å
213E27.9Very low36.5Very low192 Ų192119.5 Ų119.590%0.89773%0.725SS**  trans-61124.7-177.7-164161.417500110.1A215E213-A215 PolarHBondContact O-N 3.23Å; E213-A215 VanDerWaalsContact O-N 3.1Å
214A28Very low37.4Very low99 Ų99116.5 Ų116.582%0.81870%0.697SS**  trans-71.1102.1-17300000110.5H212 A216H212-A214 PolarHBondContact O-N 3.41Å; A214-A216 PolarHBondContact O-N 3.08Å
215A27.6Very low38.5Very low88 Ų88115.1 Ų115.173%0.72769%0.692SS**  trans-67.5128.3166.100000109.5E213 Q217E213-A215 PolarHBondContact O-N 3.23Å; E213-A215 VanDerWaalsContact O-N 3.1Å; A215-Q217 PolarHBondContact O-N 3.09Å
216A30.9Very low39.3Very low108 Ų108112.5 Ų112.589%0.89368%0.681SS**  trans-51.5108.1-177.800000111.7A214A214-A216 PolarHBondContact O-N 3.08Å
217Q40.9Very low40.6Very low133 Ų133110 Ų11062%0.62165%0.651SS**PPolyproline II helixtrans-92.1137-174.2-147.4162.4-23.800110.1A215A215-Q217 PolarHBondContact O-N 3.09Å
218P41.9Very low41.4Very low102 Ų102103 Ų10366%0.66263%0.626SS**PPolyproline II helixtrans-62.2138.2-171.8-20.530.9000112.5A220P218-A220 PolarHBondContact O-N 2.93Å
219Q47.6Very low42.3Very low191 Ų191106.3 Ų106.389%0.89362%0.624SS**PPolyproline II helixtrans-51.8121.5177.3-67.7-177.3-19.700110
220A52.6Low43.4Very low47 Ų47103.6 Ų103.639%0.38859%0.594SS.*PPolyproline II helixtrans-58.3134.5175.400000109.6P218 S222 L224P218-A220 PolarHBondContact O-N 2.93Å; A220-S222 PolarHBondContact O-N 3.18Å; A220-L224 HydrophobicContact CB-CD2 3.7Å
221P54Low43.8Very low72 Ų7299.5 Ų99.547%0.46858%0.578SS.*PPolyproline II helixtrans-62.4137.6-17824.6-33000110.8W223 L224P221-W223 PolarHBondContact O-N 2.8Å; P221-L224 WeakPolarHBondContact O-CB 3.14Å; P221-L224 PolarHBondContact O-N 3.47Å
222S56Low44.2Very low94 Ų9494.9 Ų94.966%0.65756%0.56SS**Hα-helixtrans-47.8-36-170.4-1740000115.2A220 L224 M225 E226A220-S222 PolarHBondContact O-N 3.18Å; S222-L224 PolarHBondContact O-N 3.42Å; S222-M225 PolarHBondContact O-N 2.97Å; S222-E226 PolarHBondContact O-N 2.9Å
223W62.2Low44.6Very low70 Ų7091.1 Ų91.127%0.26555%0.545SS..Hα-helixtrans-65.1-23.917975.9-87.1000112.6V62 A66 P221 E226 V227V62-W223 HydrophobicContact CG1-CH2 3.71Å; V62-W223 HydrophobicContact CG1-CZ2 3.13Å; A66-W223 HydrophobicContact CB-CZ3 4.4Å; P221-W223 PolarHBondContact O-N 2.8Å; W223-E226 CarbonylContact O-C 3.48Å; W223-E226 WeakPolarHBondContact O-CB 3.26Å; W223-E226 PolarHBondContact O-N 3.35Å; W223-V227 HydrophobicContact CE3-CB 4.46Å; W223-V227 HydrophobicContact CE3-CG2 3.58Å; W223-V227 HydrophobicContact CZ3-CB 4.42Å; W223-V227 HydrophobicContact CZ3-CG2 3.71Å; W223-V227 WeakPolarHBondContact O-CG2 3.47Å; W223-V227 PolarHBondContact O-N 3.19Å
224L52.7Low45.1Very low22 Ų2284.8 Ų84.812%0.11552%0.517CS..Hα-helixtrans-65.9-43176.6-166.477.8000111.3P55 A220 P221 S222 E226 V227 A228P55-L224 HydrophobicContact CG-CD1 3.63Å; P55-L224 HydrophobicContact CG-CD2 4.35Å; P55-L224 HydrophobicContact CG-CG 4.32Å; A220-L224 HydrophobicContact CB-CD2 3.7Å; P221-L224 WeakPolarHBondContact O-CB 3.14Å; P221-L224 PolarHBondContact O-N 3.47Å; S222-L224 PolarHBondContact O-N 3.42Å; L224-E226 VanDerWaalsContact C-N 3.3Å; L224-V227 PolarHBondContact O-N 3.26Å; L224-A228 WeakPolarHBondContact O-CB 3.38Å; L224-A228 PolarHBondContact O-N 3.26Å
225M53.8Low45.4Very low152 Ų15281.9 Ų81.975%0.74950%0.497SS*.Hα-helixtrans-62.6-40171.7-92-107.8-151.300110.7S222 V227 A228 K229S222-M225 PolarHBondContact O-N 2.97Å; M225-V227 VanDerWaalsContact C-N 3.32Å; M225-V227 PolarHBondContact O-N 3.19Å; M225-A228 PolarHBondContact O-N 2.8Å; M225-K229 WeakPolarHBondContact O-CB 3.15Å; M225-K229 PolarHBondContact O-N 2.85Å
226E52.6Low45.5Very low120 Ų12080.4 Ų80.456%0.56148%0.484SS*.Hα-helixtrans-65.4-33.4174-72.1-177.1165.500112.7S222 W223 L224 A230S222-E226 PolarHBondContact O-N 2.9Å; W223-E226 CarbonylContact O-C 3.48Å; W223-E226 WeakPolarHBondContact O-CB 3.26Å; W223-E226 PolarHBondContact O-N 3.35Å; L224-E226 VanDerWaalsContact C-N 3.3Å; E226-A230 WeakPolarHBondContact O-CA 2.92Å; E226-A230 WeakPolarHBondContact O-CB 3.38Å; E226-A230 PolarHBondContact O-N 3.23Å
227V51Low45.4Very low19 Ų1980.9 Ų80.912%0.11547%0.471CS..Hα-helixtrans-75.5-34.8174.5170.50000111.7L69 W223 L224 M225 A230 G231L69-V227 HydrophobicContact CD2-CB 4.37Å; L69-V227 HydrophobicContact CD2-CG1 3.7Å; L69-V227 HydrophobicContact CD2-CG2 3.66Å; W223-V227 HydrophobicContact CE3-CB 4.46Å; W223-V227 HydrophobicContact CE3-CG2 3.58Å; W223-V227 HydrophobicContact CZ3-CB 4.42Å; W223-V227 HydrophobicContact CZ3-CG2 3.71Å; W223-V227 WeakPolarHBondContact O-CG2 3.47Å; W223-V227 PolarHBondContact O-N 3.19Å; L224-V227 PolarHBondContact O-N 3.26Å; M225-V227 VanDerWaalsContact C-N 3.32Å; M225-V227 PolarHBondContact O-N 3.19Å; V227-A230 CarbonylContact O-C 3.48Å; V227-G231 WeakPolarHBondContact O-CA 3.4Å; V227-G231 PolarHBondContact O-N 2.76Å
228A50Low45Very low46 Ų4680 Ų8038%0.3848%0.475SS..Hα-helixtrans-68-44.917300000111.4Y48 L224 M225 G231 G232Y48-A228 HydrophobicContact CE1-CB 4.35Å; Y48-A228 WeakPolarHBondContact OH-CB 3.43Å; L224-A228 WeakPolarHBondContact O-CB 3.38Å; L224-A228 PolarHBondContact O-N 3.26Å; M225-A228 PolarHBondContact O-N 2.8Å; A228-G231 PolarHBondContact O-N 2.84Å; A228-G231 VanDerWaalsContact O-N 3.15Å; A228-G232 PolarHBondContact O-N 2.75Å; A228-G232 VanDerWaalsContact O-N 3.14Å
229K47.5Very low44.3Very low160 Ų16084.1 Ų84.170%0.69648%0.479SS*.Hα-helixtrans-67.4-43.9177.2-163.1175.5-174.4-177.30111M225 G231 G232 D233M225-K229 WeakPolarHBondContact O-CB 3.15Å; M225-K229 PolarHBondContact O-N 2.85Å; K229-G231 VanDerWaalsContact C-N 3.26Å; K229-G231 PolarHBondContact O-N 3.22Å; K229-G232 WeakPolarHBondContact O-CA 3.49Å; K229-G232 PolarHBondContact O-N 3.29Å; K229-G232 VanDerWaalsContact O-N 3.12Å; K229-D233 PolarHBondContact O-N 2.81Å
230A46.4Very low43.3Very low16 Ų1680.6 Ų80.613%0.13248%0.475CS..Hα-helixtrans-69.9-21.917100000112.3E226 V227 G232 D233 L234E226-A230 WeakPolarHBondContact O-CA 2.92Å; E226-A230 WeakPolarHBondContact O-CB 3.38Å; E226-A230 PolarHBondContact O-N 3.23Å; V227-A230 CarbonylContact O-C 3.48Å; A230-G232 VanDerWaalsContact C-N 3.25Å; A230-D233 CarbonylContact O-C 3.51Å; A230-D233 PolarHBondContact O-N 3.16Å; A230-L234 WeakPolarHBondContact O-CA 3.5Å; A230-L234 WeakPolarHBondContact O-CB 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.42Å; A230-L234 PolarHBondContact O-N 2.9Å
231G37.9Very low42.1Very low44 Ų4481.4 Ų81.445%0.45449%0.488SS..Hα-helixtrans-66.7-33.9170.400000111V227 A228 K229V227-G231 WeakPolarHBondContact O-CA 3.4Å; V227-G231 PolarHBondContact O-N 2.76Å; A228-G231 PolarHBondContact O-N 2.84Å; A228-G231 VanDerWaalsContact O-N 3.15Å; K229-G231 VanDerWaalsContact C-N 3.26Å; K229-G231 PolarHBondContact O-N 3.22Å
232G35.9Very low40.9Very low44 Ų4486.6 Ų86.645%0.45450%0.503SS..Hα-helixtrans-63.7-49.1163.500000112.2A228 K229 A230 L234 G235 A236A228-G232 PolarHBondContact O-N 2.75Å; A228-G232 VanDerWaalsContact O-N 3.14Å; K229-G232 WeakPolarHBondContact O-CA 3.49Å; K229-G232 PolarHBondContact O-N 3.29Å; K229-G232 VanDerWaalsContact O-N 3.12Å; A230-G232 VanDerWaalsContact C-N 3.25Å; G232-L234 PolarHBondContact O-N 3.21Å; G232-G235 CarbonylContact O-C 3.57Å; G232-G235 PolarHBondContact O-N 3.35Å; G232-G235 VanDerWaalsContact O-N 3.17Å; G232-A236 VanDerWaalsContact O-CB 3.27Å; G232-A236 WeakPolarHBondContact O-CB 3.39Å; G232-A236 PolarHBondContact O-N 2.92Å
233D39.2Very low39.6Very low95 Ų9585.3 Ų85.351%0.50851%0.505SS..Hα-helixtrans-73.1-24.2-178.8-67.8-30.4000114.6K229 A230 G235 A236 L237K229-D233 PolarHBondContact O-N 2.81Å; A230-D233 CarbonylContact O-C 3.51Å; A230-D233 PolarHBondContact O-N 3.16Å; D233-G235 PolarHBondContact O-N 3.35Å; D233-A236 CarbonylContact O-C 3.58Å; D233-A236 PolarHBondContact O-N 2.86Å; D233-A236 VanDerWaalsContact O-N 3.13Å; D233-L237 PolarHBondContact O-N 3.14Å
234L39.3Very low38Very low59 Ų5986.1 Ų86.131%0.30954%0.535SS..Hα-helixtrans-69.4-26.8172.1-76.8168.8000110.3F72 M84 A230 G232F72-L234 HydrophobicContact CE1-CD2 3.79Å; M84-L234 WeakPolarHBondContact CE-O 3.32Å; M84-L234 VanDerWaalsContact SD-O 3.41Å; A230-L234 WeakPolarHBondContact O-CA 3.5Å; A230-L234 WeakPolarHBondContact O-CB 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.42Å; A230-L234 PolarHBondContact O-N 2.9Å; G232-L234 PolarHBondContact O-N 3.21Å
235G34.5Very low36.9Very low37 Ų3788.4 Ų88.438%0.38156%0.564SS.*Hα-helixtrans-88.8-21.1166.700000113.9G232 D233G232-G235 CarbonylContact O-C 3.57Å; G232-G235 PolarHBondContact O-N 3.35Å; G232-G235 VanDerWaalsContact O-N 3.17Å; D233-G235 PolarHBondContact O-N 3.35Å
236A29Very low35.8Very low57 Ų5793.3 Ų93.347%0.47157%0.574SS.*Hα-helixtrans-104.110.1-174.100000114.9G232 D233 V238G232-A236 VanDerWaalsContact O-CB 3.27Å; G232-A236 WeakPolarHBondContact O-CB 3.39Å; G232-A236 PolarHBondContact O-N 2.92Å; D233-A236 CarbonylContact O-C 3.58Å; D233-A236 PolarHBondContact O-N 2.86Å; D233-A236 VanDerWaalsContact O-N 3.13Å; A236-V238 PolarHBondContact O-N 3.17Å
237L28.8Very low34.7Very low118 Ų11889.9 Ų89.962%0.61857%0.571SS**  trans-70.159.8155-109.1102.5000109.3D233 Y239D233-L237 PolarHBondContact O-N 3.14Å; L237-Y239 PolarHBondContact O-N 3.33Å; L237-Y239 VanDerWaalsContact O-N 3.09Å
238V31.9Very low33.8Very low115 Ų11594.7 Ų94.770%0.69761%0.605SS**  trans-61.1110.1166.8175.70000105.3A236 S240A236-V238 PolarHBondContact O-N 3.17Å; V238-S240 PolarHBondContact O-N 2.83Å
239Y27.2Very low32.9Very low189 Ų189102.1 Ų102.174%0.74163%0.629SS**  trans-44.394174.4-162.7-99.7000110.7L237 G241L237-Y239 PolarHBondContact O-N 3.33Å; L237-Y239 VanDerWaalsContact O-N 3.09Å; Y239-G241 PolarHBondContact O-N 3.26Å; Y239-G241 VanDerWaalsContact O-N 3.08Å
240S27.4Very low31.8Very low116 Ų11698.1 Ų98.181%0.81163%0.634SS**  trans-73.798.4168.3590000107.7V238V238-S240 PolarHBondContact O-N 2.83Å
241G26.9Very low30.9Very low64 Ų64101.2 Ų101.266%0.6667%0.667SS**  trans24104.215900000118.4Y239Y239-G241 PolarHBondContact O-N 3.26Å; Y239-G241 VanDerWaalsContact O-N 3.08Å
242F28.4Very low30.6Very low181 Ų181104.2 Ų104.279%0.79469%0.687SS**  trans-117.493.4139.3-143.8-96.3000108.5
243G29Very low30.1Very low68 Ų68106.2 Ų106.270%0.70171%0.708SS**  trans-64.8146.5170.900000111.1
244G28.1Very low29.5Very low87 Ų87105.3 Ų105.390%0.89772%0.721SS**  trans72.252.2147.900000116.9
245G29.3Very low29Very low69 Ų69109.1 Ų109.171%0.71175%0.747SS**  trans-113.290.6164.700000110.9G247G245-G247 PolarHBondContact O-N 3.48Å
246R31.1Very low28.7Very low256 Ų256112.9 Ų112.997%0.96677%0.767SS**  trans-70.472.7173-146.3169.180.4-1516.9108.9S248R246-S248 PolarHBondContact O-N 3.34Å
247G30.7Very low28.7Very low48 Ų48116.7 Ų116.750%0.49579%0.785SS.*  trans-81.997.4179.100000110.6G245 F249G245-G247 PolarHBondContact O-N 3.48Å; G247-F249 WeakPolarHBondContact O-CD2 3.45Å; G247-F249 WeakPolarHBondContact O-CE2 3.3Å; G247-F249 PolarHBondContact O-N 3.41Å; G247-F249 VanDerWaalsContact O-N 3.09Å
248S31.2Very low28.6Very low119 Ų119114 Ų11483%0.83279%0.786SS**  trans-65.997.6169.2175.80000109.7R246 G250R246-S248 PolarHBondContact O-N 3.34Å; S248-G250 PolarHBondContact O-N 3.07Å
249F30.9Very low28.3Very low202 Ų202114.8 Ų114.889%0.88679%0.79SS**  trans-82.989.2166.9-60.5-80.4000108.6G247G247-F249 WeakPolarHBondContact O-CD2 3.45Å; G247-F249 WeakPolarHBondContact O-CE2 3.3Å; G247-F249 PolarHBondContact O-N 3.41Å; G247-F249 VanDerWaalsContact O-N 3.09Å
250G24.9Very low28.4Very low77 Ų77112.2 Ų112.279%0.79479%0.794SS**  trans-73.9131158.100000109S248S248-G250 PolarHBondContact O-N 3.07Å
251G28.2Very low28.5Very low80 Ų80110.4 Ų110.483%0.82579%0.786SS**  trans-175.387.4-177.900000110.5
252A30.1Very low28.5Very low107 Ų107114.7 Ų114.788%0.88479%0.794SS**  trans-59.3155.1-173.100000115.6
253G25Very low28.6Very low86 Ų86114.5 Ų114.589%0.88780%0.798SS**  trans102.2101.4133.500000116.1
254G28.2Very low28.5Very low76 Ų76118.1 Ų118.178%0.78480%0.8SS**  trans176.672169.500000111.9S256G254-S256 PolarHBondContact O-N 2.92Å
255T28.6Very low28.8Very low139 Ų139119.6 Ų119.685%0.85379%0.794SS**  trans-59.4125.6174.348.80000111.6
256S28.6Very low29Very low116 Ų116125.4 Ų125.481%0.81180%0.802SS**  trans-133107.8151.778.70000108.7G254 G258G254-S256 PolarHBondContact O-N 2.92Å; S256-G258 PolarHBondContact O-N 3.35Å
257V27.4Very low29Very low137 Ų137121.4 Ų121.483%0.8380%0.799SS**  trans-78.596177.2-174.90000106.8V259V257-V259 HydrophobicContact CG1-CG2 4.36Å
258G26.6Very low29.1Very low63 Ų63122.4 Ų122.465%0.64981%0.81SS**  trans-10396.7171.200000109.4S256 V260S256-G258 PolarHBondContact O-N 3.35Å; G258-V260 PolarHBondContact O-N 2.91Å; G258-V260 VanDerWaalsContact O-N 3.1Å
259V26.1Very low29.2Very low130 Ų130123.8 Ų123.879%0.78881%0.808SS**  trans-67101.6172.4-178.60000107.8V257V257-V259 HydrophobicContact CG1-CG2 4.36Å
260V29Very low29.2Very low135 Ų135122.2 Ų122.282%0.81881%0.807SS**  trans-92.5102167.1-178.70000106.8G258G258-V260 PolarHBondContact O-N 2.91Å; G258-V260 VanDerWaalsContact O-N 3.1Å
261A29.8Very low29.4Very low78 Ų78122.2 Ų122.265%0.64581%0.808SS**  trans-56.9144.517600000112.1M263A261-M263 PolarHBondContact O-N 3.26Å
262D27.9Very low29.6Very low154 Ų154123.3 Ų123.382%0.82481%0.809SS**  trans-36.1117.1178.9-84.4-41.2000114.6L264D262-L264 PolarHBondContact O-N 2.97Å
263M30.1Very low29.5Very low177 Ų177121.6 Ų121.687%0.87280%0.801SS**  trans-79.297.2161.7-79.6-79.8167.500108.4A261 P265A261-M263 PolarHBondContact O-N 3.26Å; M263-P265 WeakPolarHBondContact O-CD 3.41Å
264L27.6Very low29.7Very low145 Ų145126.6 Ų126.676%0.75980%0.799SS**  trans-51.5123.6167.3-103.876.8000110.3D262 H266D262-L264 PolarHBondContact O-N 2.97Å; L264-H266 PolarHBondContact O-N 3.12Å
265P33.8Very low29.6Very low118 Ų118126.7 Ų126.777%0.76680%0.801SS**  trans-75.7116.2171.528.3-29.1000109.1M263 L267M263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-L267 PolarHBondContact O-N 3.35Å
266H32.9Very low29.6Very low190 Ų190131.2 Ų131.288%0.8880%0.802SS**  trans-49109.2172.8-81.8-90000111L264 G268L264-H266 PolarHBondContact O-N 3.12Å; H266-G268 PolarHBondContact O-N 3.3Å
267L30.8Very low29.7Very low173 Ų173130.3 Ų130.391%0.90680%0.801SS**PPolyproline II helixtrans-58.1122.9166.8-93.2149000109P265 N269P265-L267 PolarHBondContact O-N 3.35Å; L267-N269 PolarHBondContact O-N 3.46Å
268G33.3Very low30Very low69 Ų69131 Ų13171%0.71180%0.801SS**PPolyproline II helixtrans-60123.4-179.700000111.4H266 L270H266-G268 PolarHBondContact O-N 3.3Å; G268-L270 PolarHBondContact O-N 3.37Å
269N33.3Very low30.5Very low148 Ų148133.7 Ų133.779%0.79181%0.806SS**PPolyproline II helixtrans-71120173.7-170.930.5000109.8L267L267-N269 PolarHBondContact O-N 3.46Å
270L31.5Very low30.9Very low168 Ų168130.6 Ų130.688%0.8880%0.801SS**PPolyproline II helixtrans-80.9128.6172.6-69.7153.9000108.3G268G268-L270 PolarHBondContact O-N 3.37Å
271G29.3Very low31.1Very low78 Ų78132.4 Ų132.480%0.80481%0.805SS**  trans-168.1118.9177.500000113.2
272A31.6Very low31.4Very low103 Ų103133.6 Ų133.685%0.85181%0.809SS**  trans-72.8146-168.800000114.7
273G27.8Very low32Very low70 Ų70132 Ų13272%0.72281%0.807SS**  trans58.393.6138.300000118.1
274F29.5Very low32.3Very low191 Ų191133.1 Ų133.184%0.83881%0.807SS**  trans-122.2109.1144.6-101.7-91.5000108.1W276F274-W276 VanDerWaalsContact O-CD1 3.29Å; F274-W276 PolarHBondContact O-N 3.43Å
275G26.5Very low32.6Very low79 Ų79131.6 Ų131.681%0.81481%0.806SS**  trans-69.6113.617300000109.1
276W29.1Very low32.6Very low234 Ų234131.8 Ų131.889%0.88681%0.807SS**  trans-84.7120.7166.9-69.469.5000106.8F274 D278F274-W276 VanDerWaalsContact O-CD1 3.29Å; F274-W276 PolarHBondContact O-N 3.43Å; W276-D278 PolarHBondContact O-N 3.47Å
277A30.7Very low32.8Very low96 Ų96134.4 Ų134.479%0.79383%0.825SS**  trans-62.4118.9168.100000108P279A277-P279 VanDerWaalsContact O-CD 3.25Å; A277-P279 WeakPolarHBondContact O-CD 3.41Å
278D33.2Very low32.9Very low152 Ų152132.5 Ų132.581%0.81382%0.821SS**  trans-61109.1179.6-150.2-8.3000109.8W276 G280W276-D278 PolarHBondContact O-N 3.47Å; D278-G280 PolarHBondContact O-N 3.01Å
279P37Very low32.9Very low119 Ų119135.8 Ų135.877%0.77383%0.827SS**  trans-80.5104.9171.726.3-16.5000107.4A277 L281A277-P279 VanDerWaalsContact O-CD 3.25Å; A277-P279 WeakPolarHBondContact O-CD 3.41Å; P279-L281 PolarHBondContact O-N 3.26Å
280G33.9Very low32.8Very low65 Ų65135.1 Ų135.167%0.6783%0.829SS**  trans-40.6123.3-174.500000115.2D278 S282D278-G280 PolarHBondContact O-N 3.01Å; G280-S282 PolarHBondContact O-N 3.01Å; G280-S282 VanDerWaalsContact O-N 3.15Å
281L33.1Very low32.9Very low173 Ų173133.2 Ų133.291%0.90683%0.826SS**  trans14.186.1135.5-67.3157.8000115.6P279P279-L281 PolarHBondContact O-N 3.26Å
282S36.4Very low33.1Very low103 Ų103136.6 Ų136.672%0.7283%0.827SS**PPolyproline II helixtrans-90.4116.2151.358.90000108.4G280G280-S282 PolarHBondContact O-N 3.01Å; G280-S282 VanDerWaalsContact O-N 3.15Å
283P40.5Very low33.2Very low122 Ų122138.9 Ų138.979%0.79283%0.826SS**PPolyproline II helixtrans-70.9133.8-178-1.916000110.4
284F36.1Very low33.6Very low199 Ų199143.8 Ų143.887%0.87383%0.833SS**PPolyproline II helixtrans-61.6132.2169.2-78.6-88.9000110
285P34.5Very low34Very low113 Ų113140.2 Ų140.273%0.73483%0.833SS**PPolyproline II helixtrans-74.3147.3174.530.8-31.9000110.4
286P33.6Very low34.6Very low123 Ų123145.3 Ų145.380%0.79983%0.834SS**PPolyproline II helixtrans-78.8133.9-177.730.9-31.5000112
287I37Very low35.1Very low244 Ų244137.2 Ų137.2100%1.25183%0.829SS**  trans48.70164.2-47.6-179.9000116.8

Retrieved 287 of 287 residues in 90.5 ms (Link to these results)