A0A3Q0KDM3_SCHMA Loading...

Lipase maturation factor

Involved in the maturation of specific proteins in the endoplasmic reticulum.

AlphaFold DB , UniProt , Accession A0A3Q0KDM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 642 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26.8Very low66.3Low242 Ų24280.3 Ų80.3100%1.19246%0.458SS*.  0104.60-73.8174.9173.600109.1R3M1-R3 PolarHBondContact O-N 3.02Å; M1-R3 VanDerWaalsContact O-N 3.1Å
2G32.2Very low68.8Low75 Ų7583.3 Ų83.377%0.77346%0.456SS*.  trans-66.3110160.400000105.7V4G2-V4 PolarHBondContact O-N 2.62Å
3R36.9Very low71.1Confident234 Ų23476.9 Ų76.988%0.88342%0.421SS*.  trans-47.9110.2175.2-81.6-179.6177.9172.2-0.4106.5M1 G5M1-R3 PolarHBondContact O-N 3.02Å; M1-R3 VanDerWaalsContact O-N 3.1Å; R3-G5 WeakPolarHBondContact O-CA 3.45Å; R3-G5 PolarHBondContact O-N 3.17Å
4V46.9Very low72.9Confident90 Ų9071.4 Ų71.455%0.54539%0.391SS..  trans-55.6107.9171-178.40000104.4G2 V6 V154G2-V4 PolarHBondContact O-N 2.62Å; V4-V6 PolarHBondContact O-N 2.86Å; V4-V154 HydrophobicContact CG1-CB 4.05Å; V4-V154 HydrophobicContact CG1-CG1 4.01Å; V4-V154 HydrophobicContact CG1-CG2 3.62Å
5G58.3Low74.6Confident48 Ų4869.4 Ų69.450%0.49538%0.379SS..  trans-57.2114.3-153.600000111.3R3 S7R3-G5 WeakPolarHBondContact O-CA 3.45Å; R3-G5 PolarHBondContact O-N 3.17Å; G5-S7 PolarHBondContact O-N 2.83Å
6V68.8Low76.1Confident87 Ų8767.3 Ų67.353%0.52737%0.371SS..  trans-61.9110.6169.2174.80000106.8V4 V8 E11V4-V6 PolarHBondContact O-N 2.86Å; V6-V8 PolarHBondContact O-N 2.96Å; V6-V8 VanDerWaalsContact O-N 3.14Å; V6-E11 HydrophobicContact CG1-CG 3.26Å
7S85.6Confident77.4Confident21 Ų2163.4 Ų63.415%0.14735%0.349CS..  trans-65.2115.4178.5178.50000110G5 K10 E11 D281G5-S7 PolarHBondContact O-N 2.83Å; S7-K10 PolarHBondContact O-N 2.72Å; S7-E11 WeakPolarHBondContact O-CG 3.45Å; S7-E11 PolarHBondContact O-N 3.32Å; S7-E11 VanDerWaalsContact O-N 3.09Å; S7-D281 WeakPolarHBondContact CA-OD1 3.21Å; S7-D281 PolarHBondContact OG-OD1 2.89Å
8V91.7Very high78.6Confident48 Ų4859.8 Ų59.829%0.29133%0.33SS..Hα-helixtrans-62.5-50.3-175.5-179.30000111.9V6 K10 E11 R12 D281 F284V6-V8 PolarHBondContact O-N 2.96Å; V6-V8 VanDerWaalsContact O-N 3.14Å; V8-K10 VanDerWaalsContact C-N 3.3Å; V8-K10 PolarHBondContact O-N 2.94Å; V8-E11 PolarHBondContact O-N 2.95Å; V8-R12 HydrophobicContact CG1-CG 4.29Å; V8-R12 VanDerWaalsContact O-CG 3.29Å; V8-R12 WeakPolarHBondContact O-CG 3.36Å; V8-R12 PolarHBondContact O-N 3.12Å; V8-D281 PolarHBondContact N-OD1 2.69Å; V8-F284 HydrophobicContact CB-CD2 3.96Å; V8-F284 HydrophobicContact CB-CE2 4.33Å; V8-F284 HydrophobicContact CB-CG 4.2Å; V8-F284 HydrophobicContact CG1-CB 4.14Å; V8-F284 HydrophobicContact CG1-CD1 3.73Å; V8-F284 HydrophobicContact CG1-CD2 3.74Å; V8-F284 HydrophobicContact CG1-CE1 4.01Å; V8-F284 HydrophobicContact CG1-CE2 4.04Å; V8-F284 HydrophobicContact CG1-CG 3.58Å; V8-F284 HydrophobicContact CG1-CZ 4.16Å
9P95.1Very high79.6Confident1 Ų159.3 Ų59.31%0.00632%0.324CS..Hα-helixtrans-59.6-39.8179.7-2.65.2000113R12 F13 M161 Y276 L279 D281 F284P9-R12 PolarHBondContact O-N 3.07Å; P9-F13 PolarHBondContact O-N 3.49Å; P9-M161 HydrophobicContact CB-CE 4.02Å; P9-Y276 VanDerWaalsContact CB-O 3.22Å; P9-Y276 WeakPolarHBondContact CB-O 3.4Å; P9-L279 HydrophobicContact CB-CB 4.18Å; P9-L279 HydrophobicContact CG-CB 4.23Å; P9-L279 WeakPolarHBondContact CG-O 3.44Å; P9-D281 WeakPolarHBondContact CD-OD1 3.36Å; P9-F284 HydrophobicContact CB-CE2 4.08Å; P9-F284 HydrophobicContact CB-CZ 4.48Å; P9-F284 HydrophobicContact CG-CE2 3.79Å
10K93.8Very high80.6Confident1 Ų156.5 Ų56.50%0.00431%0.308CS..Hα-helixtrans-62.1-48.3176.3177.8-173.565.3-1790111.9S7 V8 R12 F13 L14 L141 D157 M161S7-K10 PolarHBondContact O-N 2.72Å; V8-K10 VanDerWaalsContact C-N 3.3Å; V8-K10 PolarHBondContact O-N 2.94Å; K10-R12 VanDerWaalsContact C-N 3.26Å; K10-R12 PolarHBondContact O-N 3.11Å; K10-F13 WeakPolarHBondContact O-CB 3.26Å; K10-F13 PolarHBondContact O-N 3.24Å; K10-L14 HydrophobicContact CG-CD1 4.37Å; K10-L14 WeakPolarHBondContact O-CG 3.38Å; K10-L14 PolarHBondContact O-N 3.13Å; K10-L141 HydrophobicContact CD-CB 4.32Å; K10-L141 HydrophobicContact CD-CD2 3.93Å; K10-L141 HydrophobicContact CG-CB 4.31Å; K10-L141 HydrophobicContact CG-CD2 4.12Å; K10-D157 HydrophobicContact CD-CB 4.45Å; K10-D157 WeakPolarHBondContact CD-OD1 3.37Å; K10-D157 IonicContact NZ-OD1 3.75Å; K10-D157 PolarHBondContact NZ-OD1 3.29Å; K10-D157 IonicContact NZ-OD2 3.72Å; K10-D157 PolarHBondContact NZ-OD2 3.16Å; K10-M161 HydrophobicContact CB-CE 4.31Å; K10-M161 HydrophobicContact CB-CG 4.49Å; K10-M161 HydrophobicContact CB-SD 3.7Å; K10-M161 HydrophobicContact CG-SD 4.1Å
11E93.7Very high81.4Confident36 Ų3653.8 Ų53.817%0.16829%0.294CS..Hα-helixtrans-63.5-34177.9-68.7-58.3139.300112.2V6 S7 V8 L15 R100 R152V6-E11 HydrophobicContact CG1-CG 3.26Å; S7-E11 WeakPolarHBondContact O-CG 3.45Å; S7-E11 PolarHBondContact O-N 3.32Å; S7-E11 VanDerWaalsContact O-N 3.09Å; V8-E11 PolarHBondContact O-N 2.95Å; E11-L15 VanDerWaalsContact O-CB 3.29Å; E11-L15 WeakPolarHBondContact O-CB 3.45Å; E11-L15 PolarHBondContact O-N 3.23Å; E11-R100 IonicContact OE2-CZ 3.14Å; E11-R100 IonicContact OE2-NH1 3.89Å; E11-R100 PolarHBondContact OE2-NH1 2.79Å; E11-R152 IonicContact OE1-CZ 3.05Å; E11-R152 IonicContact OE1-NH1 2.66Å; E11-R152 PolarHBondContact OE1-NH1 3.14Å; E11-R152 IonicContact OE1-NH2 3.37Å; E11-R152 PolarHBondContact OE1-NH2 2.7Å
12R96.1Very high84.9Confident117 Ų11742.3 Ų42.344%0.44224%0.237SC..Hα-helixtrans-65.6-44.5172.7-66.4-63.2-180-178.11.4111.7V8 P9 K10 L15 C16 Y276 F284V8-R12 HydrophobicContact CG1-CG 4.29Å; V8-R12 VanDerWaalsContact O-CG 3.29Å; V8-R12 WeakPolarHBondContact O-CG 3.36Å; V8-R12 PolarHBondContact O-N 3.12Å; P9-R12 PolarHBondContact O-N 3.07Å; K10-R12 VanDerWaalsContact C-N 3.26Å; K10-R12 PolarHBondContact O-N 3.11Å; R12-L15 PolarHBondContact O-N 3.16Å; R12-C16 WeakPolarHBondContact O-CB 3.4Å; R12-C16 PolarHBondContact O-N 3.23Å; R12-C16 PolarHBondContact O-SG 2.97Å; R12-Y276 HydrophobicContact CB-CD1 3.74Å; R12-Y276 HydrophobicContact CB-CD2 4.04Å; R12-Y276 HydrophobicContact CB-CE1 3.59Å; R12-Y276 HydrophobicContact CB-CE2 3.91Å; R12-Y276 HydrophobicContact CB-CG 3.97Å; R12-Y276 HydrophobicContact CG-CD1 4.35Å; R12-Y276 HydrophobicContact CG-CE1 3.92Å; R12-F284 HydrophobicContact CG-CE1 4.47Å
13F98Very high88Confident0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-57.7-52.4173.8167.9-101.6000111.8P9 K10 L15 C16 L17 A138 L141 L164 A273 L274P9-F13 PolarHBondContact O-N 3.49Å; K10-F13 WeakPolarHBondContact O-CB 3.26Å; K10-F13 PolarHBondContact O-N 3.24Å; F13-L15 VanDerWaalsContact C-N 3.29Å; F13-L15 PolarHBondContact O-N 3.5Å; F13-C16 PolarHBondContact O-N 2.78Å; F13-L17 HydrophobicContact CE1-CD2 4.03Å; F13-L17 HydrophobicContact CZ-CD2 3.85Å; F13-L17 WeakPolarHBondContact O-CB 3.43Å; F13-L17 PolarHBondContact O-N 3.36Å; F13-A138 HydrophobicContact CE1-CB 3.93Å; F13-L141 HydrophobicContact CD1-CD1 4.04Å; F13-L141 HydrophobicContact CE1-CD1 4.04Å; F13-L164 HydrophobicContact CD1-CD1 3.51Å; F13-L164 HydrophobicContact CD2-CD1 3.87Å; F13-L164 HydrophobicContact CE1-CD1 3.53Å; F13-L164 HydrophobicContact CE1-CD2 3.9Å; F13-L164 HydrophobicContact CE1-CG 4.33Å; F13-L164 HydrophobicContact CE2-CD1 3.89Å; F13-L164 HydrophobicContact CE2-CD2 3.9Å; F13-L164 HydrophobicContact CG-CD1 3.67Å; F13-L164 HydrophobicContact CZ-CD1 3.72Å; F13-L164 HydrophobicContact CZ-CD2 3.44Å; F13-L164 VanDerWaalsContact CZ-CD2 3.44Å; F13-L164 HydrophobicContact CZ-CG 4.24Å; F13-A273 HydrophobicContact CD2-CB 4.12Å; F13-A273 WeakPolarHBondContact CD2-O 3.36Å; F13-A273 HydrophobicContact CE2-CB 4.5Å; F13-L274 HydrophobicContact CE2-CD2 3.96Å
14L97.4Very high90.9Very high0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-60.5-39.6-179.3-66.5178.1000111.8K10 L17 S18 F105 A138 L141K10-L14 HydrophobicContact CG-CD1 4.37Å; K10-L14 WeakPolarHBondContact O-CG 3.38Å; K10-L14 PolarHBondContact O-N 3.13Å; L14-L17 PolarHBondContact O-N 3.32Å; L14-S18 PolarHBondContact O-N 3.2Å; L14-S18 PolarHBondContact O-OG 3.07Å; L14-F105 HydrophobicContact CB-CE2 4.35Å; L14-F105 HydrophobicContact CB-CZ 4.08Å; L14-F105 HydrophobicContact CD2-CD2 4.47Å; L14-F105 HydrophobicContact CD2-CE2 3.84Å; L14-F105 HydrophobicContact CD2-CZ 3.92Å; L14-F105 HydrophobicContact CG-CE2 4.47Å; L14-A138 HydrophobicContact CD2-CB 3.79Å; L14-L141 HydrophobicContact CD2-CB 4.34Å
15L97.3Very high93.4Very high41 Ų4124.6 Ų24.622%0.21514%0.138CC..Hα-helixtrans-63-49.1174.6177.765.7000112.1E11 R12 F13 L17 S18 F19 S94E11-L15 VanDerWaalsContact O-CB 3.29Å; E11-L15 WeakPolarHBondContact O-CB 3.45Å; E11-L15 PolarHBondContact O-N 3.23Å; R12-L15 PolarHBondContact O-N 3.16Å; F13-L15 VanDerWaalsContact C-N 3.29Å; F13-L15 PolarHBondContact O-N 3.5Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.33Å; L15-S18 WeakPolarHBondContact O-CB 3.25Å; L15-S18 PolarHBondContact O-N 2.98Å; L15-F19 HydrophobicContact CD1-CD2 4.26Å; L15-F19 HydrophobicContact CD1-CE2 3.93Å; L15-F19 HydrophobicContact CG-CD2 4.45Å; L15-F19 HydrophobicContact CG-CE2 4.4Å; L15-F19 WeakPolarHBondContact O-CD2 3.42Å; L15-F19 PolarHBondContact O-N 2.83Å; L15-S94 VanDerWaalsContact CD1-O 3.27Å; L15-S94 WeakPolarHBondContact CD1-O 3.46Å
16C98.3Very high95.3Very high36 Ų3622.5 Ų22.524%0.24312%0.116CC..Hα-helixtrans-59.8-42.8177.6-71.50000111R12 F13 S18 F19 I20 A273R12-C16 WeakPolarHBondContact O-CB 3.4Å; R12-C16 PolarHBondContact O-N 3.23Å; R12-C16 PolarHBondContact O-SG 2.97Å; F13-C16 PolarHBondContact O-N 2.78Å; C16-S18 PolarHBondContact O-N 2.98Å; C16-F19 PolarHBondContact O-N 3.32Å; C16-I20 WeakPolarHBondContact O-CD1 3.16Å; C16-I20 VanDerWaalsContact O-CG1 3.28Å; C16-I20 WeakPolarHBondContact O-CG1 3.16Å; C16-I20 PolarHBondContact O-N 3.26Å; C16-A273 HydrophobicContact CB-CB 3.6Å
17L98.6Very high96.7Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-64-38.1179-168.168.7000112.4F13 L14 L15 F19 I20 Y21 F105 L131 A138 L270F13-L17 HydrophobicContact CE1-CD2 4.03Å; F13-L17 HydrophobicContact CZ-CD2 3.85Å; F13-L17 WeakPolarHBondContact O-CB 3.43Å; F13-L17 PolarHBondContact O-N 3.36Å; L14-L17 PolarHBondContact O-N 3.32Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.33Å; L17-F19 PolarHBondContact O-N 3.36Å; L17-I20 PolarHBondContact O-N 3.28Å; L17-Y21 HydrophobicContact CD1-CD2 4.47Å; L17-Y21 HydrophobicContact CD1-CE2 4.32Å; L17-Y21 HydrophobicContact CD2-CE2 4.15Å; L17-Y21 HydrophobicContact CG-CD2 3.98Å; L17-Y21 HydrophobicContact CG-CE2 3.94Å; L17-Y21 WeakPolarHBondContact O-CD2 3.45Å; L17-Y21 PolarHBondContact O-N 2.97Å; L17-F105 HydrophobicContact CD2-CD1 4.27Å; L17-F105 HydrophobicContact CD2-CE1 4Å; L17-F105 HydrophobicContact CG-CE1 4.39Å; L17-L131 HydrophobicContact CD1-CD1 3.7Å; L17-A138 HydrophobicContact CD2-CB 3.27Å; L17-L270 HydrophobicContact CD1-CD1 3.74Å
18S98.7Very high97.3Very high0 Ų017.4 Ų17.40%08%0.084CC..Hα-helixtrans-57.7-46.1172.9-70.80000112.2L14 L15 C16 Y21 L22 S93 S94L14-S18 PolarHBondContact O-N 3.2Å; L14-S18 PolarHBondContact O-OG 3.07Å; L15-S18 WeakPolarHBondContact O-CB 3.25Å; L15-S18 PolarHBondContact O-N 2.98Å; C16-S18 PolarHBondContact O-N 2.98Å; S18-Y21 PolarHBondContact O-N 3.44Å; S18-L22 PolarHBondContact O-N 3.02Å; S18-S93 VanDerWaalsContact CB-OG 3.31Å; S18-S93 WeakPolarHBondContact CB-OG 3.45Å; S18-S93 VanDerWaalsContact OG-CB 3.3Å; S18-S93 WeakPolarHBondContact OG-CB 3.36Å; S18-S93 PolarHBondContact OG-OG 2.9Å; S18-S94 WeakPolarHBondContact CB-OG 3.49Å; S18-S94 PolarHBondContact O-OG 2.85Å
19F98.4Very high97.6Very high49 Ų4915.4 Ų15.422%0.2157%0.071CC..Hα-helixtrans-66.2-38.6175.8-83.5-73.3000112.2L15 C16 L17 L22 F23 S94 F95 C617L15-F19 HydrophobicContact CD1-CD2 4.26Å; L15-F19 HydrophobicContact CD1-CE2 3.93Å; L15-F19 HydrophobicContact CG-CD2 4.45Å; L15-F19 HydrophobicContact CG-CE2 4.4Å; L15-F19 WeakPolarHBondContact O-CD2 3.42Å; L15-F19 PolarHBondContact O-N 2.83Å; C16-F19 PolarHBondContact O-N 3.32Å; L17-F19 PolarHBondContact O-N 3.36Å; F19-L22 HydrophobicContact CD1-CD2 4.36Å; F19-L22 WeakPolarHBondContact O-CB 3.49Å; F19-L22 PolarHBondContact O-N 3.37Å; F19-F23 HydrophobicContact CB-CE2 3.98Å; F19-F23 HydrophobicContact CB-CZ 4.46Å; F19-F23 HydrophobicContact CD1-CE2 4.39Å; F19-F23 HydrophobicContact CD1-CZ 4.03Å; F19-F23 WeakPolarHBondContact O-CD2 3.26Å; F19-F23 VanDerWaalsContact O-CG 3.24Å; F19-F23 WeakPolarHBondContact O-CG 3.43Å; F19-F23 PolarHBondContact O-N 3.46Å; F19-S94 PolarHBondContact N-OG 2.86Å; F19-F95 HydrophobicContact CE1-CE2 4.1Å; F19-F95 AromaticContact CE1-CZ 3.88Å; F19-F95 HydrophobicContact CE1-CZ 3.88Å; F19-F95 HydrophobicContact CZ-CE1 4.19Å; F19-F95 HydrophobicContact CZ-CE2 4.28Å; F19-F95 AromaticContact CZ-CZ 3.87Å; F19-F95 HydrophobicContact CZ-CZ 3.87Å; F19-C617 HydrophobicContact CE1-CB 4.34Å
20I98.7Very high97.7Very high4 Ų415.9 Ų15.92%0.0217%0.074CC..Hα-helixtrans-63.2-45177.4-70.3158.4000110.9C16 L17 L22 F23 A24 L131 F266 L269 L270 A273C16-I20 WeakPolarHBondContact O-CD1 3.16Å; C16-I20 VanDerWaalsContact O-CG1 3.28Å; C16-I20 WeakPolarHBondContact O-CG1 3.16Å; C16-I20 PolarHBondContact O-N 3.26Å; L17-I20 PolarHBondContact O-N 3.28Å; I20-L22 VanDerWaalsContact C-N 3.3Å; I20-L22 PolarHBondContact O-N 3.03Å; I20-F23 PolarHBondContact O-N 3.25Å; I20-A24 VanDerWaalsContact O-CB 3.29Å; I20-A24 WeakPolarHBondContact O-CB 3.35Å; I20-A24 PolarHBondContact O-N 3.34Å; I20-L131 HydrophobicContact CG2-CD1 3.76Å; I20-L131 HydrophobicContact CG2-CD2 4.37Å; I20-F266 HydrophobicContact CG2-CB 4.05Å; I20-F266 HydrophobicContact CG2-CD2 3.65Å; I20-F266 HydrophobicContact CG2-CE2 4.4Å; I20-F266 HydrophobicContact CG2-CG 4.03Å; I20-L269 HydrophobicContact CD1-CB 4.47Å; I20-L269 HydrophobicContact CG1-CB 4.39Å; I20-L270 VanDerWaalsContact CD1-CA 3.47Å; I20-L270 HydrophobicContact CD1-CB 3.88Å; I20-L270 HydrophobicContact CD1-CD1 3.89Å; I20-L270 HydrophobicContact CD1-CG 4.49Å; I20-L270 HydrophobicContact CG2-CB 4.5Å; I20-A273 HydrophobicContact CD1-CB 4.09Å
21Y98.8Very high97.9Very high0 Ų016.4 Ų16.40%08%0.076CC..Hα-helixtrans-58.8-42.8172.7-90.6-64.6000111.7L17 S18 F23 A24 F25 F105 L108 Y112 L131 G135L17-Y21 HydrophobicContact CD1-CD2 4.47Å; L17-Y21 HydrophobicContact CD1-CE2 4.32Å; L17-Y21 HydrophobicContact CD2-CE2 4.15Å; L17-Y21 HydrophobicContact CG-CD2 3.98Å; L17-Y21 HydrophobicContact CG-CE2 3.94Å; L17-Y21 WeakPolarHBondContact O-CD2 3.45Å; L17-Y21 PolarHBondContact O-N 2.97Å; S18-Y21 PolarHBondContact O-N 3.44Å; Y21-F23 PolarHBondContact O-N 2.97Å; Y21-A24 PolarHBondContact O-N 3.49Å; Y21-F25 HydrophobicContact CD1-CD2 4.2Å; Y21-F25 AromaticContact CD1-CE2 3.7Å; Y21-F25 HydrophobicContact CD1-CE2 3.7Å; Y21-F25 HydrophobicContact CE1-CE2 4.37Å; Y21-F25 WeakPolarHBondContact O-CB 3.47Å; Y21-F25 VanDerWaalsContact O-CD2 3.24Å; Y21-F25 WeakPolarHBondContact O-CD2 3.36Å; Y21-F25 PolarHBondContact O-N 3.39Å; Y21-F105 HydrophobicContact CE2-CD1 4.48Å; Y21-L108 HydrophobicContact CD1-CB 4.28Å; Y21-L108 HydrophobicContact CD2-CB 4.34Å; Y21-L108 HydrophobicContact CD2-CD1 4.08Å; Y21-L108 HydrophobicContact CE1-CB 4.2Å; Y21-L108 HydrophobicContact CE2-CB 4.26Å; Y21-L108 HydrophobicContact CG-CB 4.35Å; Y21-L108 HydrophobicContact CG-CD1 4.28Å; Y21-Y112 HydrophobicContact CE1-CG 4.19Å; Y21-L131 HydrophobicContact CD1-CD1 4.16Å; Y21-L131 HydrophobicContact CD1-CD2 3.95Å; Y21-L131 HydrophobicContact CD1-CG 4.19Å; Y21-L131 HydrophobicContact CD2-CD1 4.15Å; Y21-L131 HydrophobicContact CE1-CD1 3.97Å; Y21-L131 HydrophobicContact CE1-CD2 4Å; Y21-L131 HydrophobicContact CE1-CG 3.82Å; Y21-L131 HydrophobicContact CE2-CD1 3.96Å; Y21-L131 HydrophobicContact CG-CD1 4.24Å; Y21-G135 VanDerWaalsContact OH-CA 3.31Å; Y21-G135 WeakPolarHBondContact OH-CA 3.49Å
22L98.7Very high98.1Very high0 Ų014.7 Ų14.70%07%0.068CC..Hα-helixtrans-57.9-49.5177.517560.5000111.2S18 F19 I20 A26 I87 S90 F91 L613S18-L22 PolarHBondContact O-N 3.02Å; F19-L22 HydrophobicContact CD1-CD2 4.36Å; F19-L22 WeakPolarHBondContact O-CB 3.49Å; F19-L22 PolarHBondContact O-N 3.37Å; I20-L22 VanDerWaalsContact C-N 3.3Å; I20-L22 PolarHBondContact O-N 3.03Å; L22-A26 WeakPolarHBondContact O-CB 3.47Å; L22-A26 PolarHBondContact O-N 3.47Å; L22-I87 HydrophobicContact CD1-CG2 3.91Å; L22-S90 WeakPolarHBondContact CA-OG 3.47Å; L22-S90 WeakPolarHBondContact CB-OG 3.48Å; L22-S90 PolarHBondContact N-OG 2.93Å; L22-F91 HydrophobicContact CD1-CB 4.07Å; L22-F91 HydrophobicContact CD2-CB 4.5Å; L22-F91 HydrophobicContact CD2-CD2 4.19Å; L22-L613 HydrophobicContact CD1-CD2 4.22Å; L22-L613 HydrophobicContact CG-CD2 4.2Å
23F98.4Very high98.2Very high27 Ų279.5 Ų9.512%0.1185%0.05CC..Hα-helixtrans-66.9-39.2178.6-58.3-40.2000112.5F19 I20 Y21 S27 P479 L610 I614F19-F23 HydrophobicContact CB-CE2 3.98Å; F19-F23 HydrophobicContact CB-CZ 4.46Å; F19-F23 HydrophobicContact CD1-CE2 4.39Å; F19-F23 HydrophobicContact CD1-CZ 4.03Å; F19-F23 WeakPolarHBondContact O-CD2 3.26Å; F19-F23 VanDerWaalsContact O-CG 3.24Å; F19-F23 WeakPolarHBondContact O-CG 3.43Å; F19-F23 PolarHBondContact O-N 3.46Å; I20-F23 PolarHBondContact O-N 3.25Å; Y21-F23 PolarHBondContact O-N 2.97Å; F23-S27 WeakPolarHBondContact O-CB 3.44Å; F23-S27 PolarHBondContact O-N 3.47Å; F23-P479 HydrophobicContact CB-CB 3.99Å; F23-P479 HydrophobicContact CB-CG 3.71Å; F23-P479 HydrophobicContact CD1-CG 3.65Å; F23-P479 HydrophobicContact CD2-CB 3.73Å; F23-P479 HydrophobicContact CD2-CG 3.3Å; F23-P479 HydrophobicContact CE1-CG 4.04Å; F23-P479 HydrophobicContact CE2-CB 4.39Å; F23-P479 HydrophobicContact CE2-CG 3.72Å; F23-P479 HydrophobicContact CG-CB 3.93Å; F23-P479 HydrophobicContact CG-CG 3.26Å; F23-P479 HydrophobicContact CZ-CG 4.07Å; F23-L610 HydrophobicContact CB-CD1 4.18Å; F23-L610 HydrophobicContact CD1-CD1 4.3Å; F23-I614 HydrophobicContact CE1-CG1 4.4Å
24A98.5Very high98.1Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-64-47.5178.400000112I20 Y21 L28 Y112 L131 F266I20-A24 VanDerWaalsContact O-CB 3.29Å; I20-A24 WeakPolarHBondContact O-CB 3.35Å; I20-A24 PolarHBondContact O-N 3.34Å; Y21-A24 PolarHBondContact O-N 3.49Å; A24-L28 WeakPolarHBondContact O-CB 3.31Å; A24-L28 PolarHBondContact O-N 3.42Å; A24-L28 VanDerWaalsContact O-N 3.12Å; A24-Y112 HydrophobicContact CB-CE2 3.72Å; A24-L131 HydrophobicContact CB-CD2 3.64Å; A24-F266 HydrophobicContact CB-CD1 4.02Å; A24-F266 HydrophobicContact CB-CE1 3.56Å; A24-F266 HydrophobicContact CB-CE2 4.44Å; A24-F266 HydrophobicContact CB-CZ 3.78Å
25F98.7Very high98.1Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-68.9-43.4177.3-79.7-66.6000112.5Y21 L28 Y29 T83 I87 L108 L111 Y112Y21-F25 HydrophobicContact CD1-CD2 4.2Å; Y21-F25 AromaticContact CD1-CE2 3.7Å; Y21-F25 HydrophobicContact CD1-CE2 3.7Å; Y21-F25 HydrophobicContact CE1-CE2 4.37Å; Y21-F25 WeakPolarHBondContact O-CB 3.47Å; Y21-F25 VanDerWaalsContact O-CD2 3.24Å; Y21-F25 WeakPolarHBondContact O-CD2 3.36Å; Y21-F25 PolarHBondContact O-N 3.39Å; F25-L28 PolarHBondContact O-N 3.26Å; F25-Y29 WeakPolarHBondContact O-CB 3.32Å; F25-Y29 PolarHBondContact O-N 3.04Å; F25-T83 HydrophobicContact CD1-CG2 4.38Å; F25-I87 HydrophobicContact CB-CG1 3.71Å; F25-L108 HydrophobicContact CD2-CD2 4.41Å; F25-L108 HydrophobicContact CE2-CD2 3.83Å; F25-L111 HydrophobicContact CE1-CB 4.21Å; F25-L111 HydrophobicContact CZ-CB 3.81Å; F25-Y112 HydrophobicContact CD1-CD2 4.14Å; F25-Y112 HydrophobicContact CD2-CD2 4.43Å; F25-Y112 AromaticContact CE1-CD2 3.77Å; F25-Y112 HydrophobicContact CE1-CD2 3.77Å; F25-Y112 HydrophobicContact CE1-CG 4.5Å; F25-Y112 HydrophobicContact CE2-CD2 4.07Å; F25-Y112 HydrophobicContact CG-CD2 4.46Å; F25-Y112 AromaticContact CZ-CD2 3.74Å; F25-Y112 HydrophobicContact CZ-CD2 3.74Å; F25-Y112 HydrophobicContact CZ-CG 4.21Å
26A98.3Very high98.1Very high5 Ų57.5 Ų7.54%0.0414%0.039CC..Hα-helixtrans-64.4-43.4178.300000111.6L22 L28 Y29 I30 I87 L610 L613L22-A26 WeakPolarHBondContact O-CB 3.47Å; L22-A26 PolarHBondContact O-N 3.47Å; A26-L28 PolarHBondContact O-N 2.92Å; A26-Y29 PolarHBondContact O-N 2.64Å; A26-I30 WeakPolarHBondContact O-CG2 3.24Å; A26-I30 PolarHBondContact O-N 3.35Å; A26-I87 HydrophobicContact CB-CD1 4.33Å; A26-I87 HydrophobicContact CB-CG1 4.41Å; A26-L610 HydrophobicContact CB-CD2 3.65Å; A26-L613 HydrophobicContact CB-CD2 3.39Å
27S98Very high97.9Very high0 Ų06.2 Ų6.20%03%0.03CC..Hα-helixtrans-59.6-37.6175.6-174.40000111.5F23 Q31 H480 Q481F23-S27 WeakPolarHBondContact O-CB 3.44Å; F23-S27 PolarHBondContact O-N 3.47Å; S27-Q31 PolarHBondContact O-NE2 3.4Å; S27-H480 PolarHBondContact OG-CE1 3.33Å; S27-H480 VanDerWaalsContact OG-CE1 3.32Å; S27-H480 PolarHBondContact OG-ND1 3.06Å; S27-Q481 PolarHBondContact OG-N 2.89Å; S27-Q481 PolarHBondContact OG-O 2.97Å
28L98.1Very high97.6Very high0 Ų09.5 Ų9.50%05%0.046CC..Hα-helixtrans-70.5-47.4176-177.562000111.4A24 F25 A26 I30 Q31 L32 Y36 T83 A115 L123A24-L28 WeakPolarHBondContact O-CB 3.31Å; A24-L28 PolarHBondContact O-N 3.42Å; A24-L28 VanDerWaalsContact O-N 3.12Å; F25-L28 PolarHBondContact O-N 3.26Å; A26-L28 PolarHBondContact O-N 2.92Å; L28-I30 VanDerWaalsContact C-N 3.34Å; L28-I30 PolarHBondContact O-N 2.9Å; L28-Q31 CarbonylContact O-C 3.52Å; L28-Q31 PolarHBondContact O-N 3.09Å; L28-Q31 VanDerWaalsContact O-N 3.08Å; L28-L32 HydrophobicContact CD1-CD2 4.13Å; L28-L32 HydrophobicContact CG-CD2 3.99Å; L28-L32 WeakPolarHBondContact O-CG 3.11Å; L28-L32 PolarHBondContact O-N 3.4Å; L28-Y36 HydrophobicContact CD1-CE2 3.85Å; L28-T83 HydrophobicContact CD2-CG2 3.74Å; L28-T83 HydrophobicContact CG-CG2 4.17Å; L28-A115 HydrophobicContact CD2-CB 3.84Å; L28-L123 HydrophobicContact CD1-CD1 3.96Å; L28-L123 HydrophobicContact CD1-CG 4.39Å; L28-L123 HydrophobicContact CD2-CD1 3.92Å
29Y98.2Very high97.4Very high6 Ų614 Ų142%0.0246%0.064CC..Hα-helixtrans-56.2-42.2-175.9177.6-98.1000113.6F25 A26 Q31 L32 E80 V84 I87 R601 I604F25-Y29 WeakPolarHBondContact O-CB 3.32Å; F25-Y29 PolarHBondContact O-N 3.04Å; A26-Y29 PolarHBondContact O-N 2.64Å; Y29-Q31 VanDerWaalsContact C-N 3.26Å; Y29-Q31 PolarHBondContact O-N 3.07Å; Y29-L32 HydrophobicContact CD2-CD1 4.27Å; Y29-L32 PolarHBondContact O-N 3.07Å; Y29-E80 HydrophobicContact CD2-CG 4.46Å; Y29-E80 HydrophobicContact CE2-CG 3.83Å; Y29-V84 HydrophobicContact CD2-CG2 3.79Å; Y29-V84 HydrophobicContact CE2-CG2 3.36Å; Y29-I87 HydrophobicContact CD1-CD1 4.37Å; Y29-I87 HydrophobicContact CD2-CD1 4.49Å; Y29-I87 HydrophobicContact CG-CD1 3.94Å; Y29-R601 PolarHBondContact O-NH1 2.73Å; Y29-R601 VanDerWaalsContact O-NH1 3.14Å; Y29-R601 PolarHBondContact O-NH2 3.44Å; Y29-I604 HydrophobicContact CE1-CB 4.4Å; Y29-I604 HydrophobicContact CE1-CD1 3.75Å; Y29-I604 HydrophobicContact CE1-CG2 4.09Å
30I97.1Very high97.3Very high12 Ų1211.7 Ų11.76%0.0625%0.053CC..Hα-helixtrans-71.3-24.1-178.470.1-177.7000112.3A26 L28 Q606 P607 L610A26-I30 WeakPolarHBondContact O-CG2 3.24Å; A26-I30 PolarHBondContact O-N 3.35Å; L28-I30 VanDerWaalsContact C-N 3.34Å; L28-I30 PolarHBondContact O-N 2.9Å; I30-Q606 PolarHBondContact O-NE2 2.94Å; I30-P607 HydrophobicContact CB-CG 4.11Å; I30-P607 WeakPolarHBondContact CD1-O 3.42Å; I30-P607 HydrophobicContact CG2-CG 3.63Å; I30-L610 HydrophobicContact CD1-CD2 4.02Å
31Q97.9Very high97.2Very high11 Ų1111.5 Ų11.55%0.0515%0.052CC..Hα-helixtrans-95.7-8.5177.5-67.3173.591.800113.2S27 L28 Y29 G34 L35 H480 Q481 L519S27-Q31 PolarHBondContact O-NE2 3.4Å; L28-Q31 CarbonylContact O-C 3.52Å; L28-Q31 PolarHBondContact O-N 3.09Å; L28-Q31 VanDerWaalsContact O-N 3.08Å; Y29-Q31 VanDerWaalsContact C-N 3.26Å; Y29-Q31 PolarHBondContact O-N 3.07Å; Q31-G34 PolarHBondContact O-N 2.87Å; Q31-L35 HydrophobicContact CB-CD1 3.71Å; Q31-L35 HydrophobicContact CB-CG 4.2Å; Q31-L35 WeakPolarHBondContact O-CB 3.45Å; Q31-L35 VanDerWaalsContact O-CG 3.3Å; Q31-L35 WeakPolarHBondContact O-CG 3.43Å; Q31-L35 PolarHBondContact O-N 2.98Å; Q31-L35 VanDerWaalsContact O-N 3.07Å; Q31-H480 PolarHBondContact NE2-CE1 2.71Å; Q31-Q481 PolarHBondContact NE2-O 3.42Å; Q31-L519 HydrophobicContact CB-CD2 4.06Å; Q31-L519 HydrophobicContact CG-CD2 4.01Å
32L97.7Very high97Very high0 Ų011.7 Ų11.70%05%0.054CC..Hα-helixtrans-53.6-47.2-175.9-78.9-175.5000113.8L28 Y29 G34 L35 Y36 S37 Y76 L79 E80 T83L28-L32 HydrophobicContact CD1-CD2 4.13Å; L28-L32 HydrophobicContact CG-CD2 3.99Å; L28-L32 WeakPolarHBondContact O-CG 3.11Å; L28-L32 PolarHBondContact O-N 3.4Å; Y29-L32 HydrophobicContact CD2-CD1 4.27Å; Y29-L32 PolarHBondContact O-N 3.07Å; L32-G34 PolarHBondContact O-N 2.81Å; L32-L35 PolarHBondContact O-N 2.87Å; L32-Y36 HydrophobicContact CD2-CD2 3.5Å; L32-Y36 HydrophobicContact CD2-CE2 4.03Å; L32-Y36 HydrophobicContact CD2-CG 4.48Å; L32-Y36 PolarHBondContact O-N 3.15Å; L32-S37 PolarHBondContact O-N 2.64Å; L32-Y76 HydrophobicContact CB-CE2 4.17Å; L32-L79 HydrophobicContact CD2-CD2 3.75Å; L32-L79 HydrophobicContact CD2-CG 4.03Å; L32-E80 HydrophobicContact CD1-CB 4.34Å; L32-T83 HydrophobicContact CD1-CG2 3.97Å; L32-T83 WeakPolarHBondContact CD1-OG1 3.05Å
33P97.4Very high96.8Very high8 Ų812 Ų125%0.0526%0.056CC..Hα-helixtrans-63.1-47.9-175.6-20.130.9000112.1L35 S37 Y76 E515 Q606P33-L35 VanDerWaalsContact C-N 3.29Å; P33-L35 PolarHBondContact O-N 2.91Å; P33-S37 WeakPolarHBondContact O-CB 3.4Å; P33-S37 PolarHBondContact O-N 3.02Å; P33-S37 PolarHBondContact O-OG 2.85Å; P33-Y76 WeakPolarHBondContact CA-OH 3.32Å; P33-Y76 WeakPolarHBondContact CG-OH 3.4Å; P33-E515 HydrophobicContact CB-CB 4.02Å; P33-E515 HydrophobicContact CB-CG 3.9Å; P33-Q606 HydrophobicContact CB-CG 4.31Å; P33-Q606 HydrophobicContact CG-CG 3.79Å
34G97.5Very high96.5Very high0 Ų010.8 Ų10.80%05%0.05CC..Hα-helixtrans-69.3-24.1179.600000114.4Q31 L32 G40 V41 E515Q31-G34 PolarHBondContact O-N 2.87Å; L32-G34 PolarHBondContact O-N 2.81Å; G34-G40 CarbonylContact O-C 3.58Å; G34-G40 WeakPolarHBondContact O-CA 3.46Å; G34-V41 PolarHBondContact O-N 2.95Å; G34-E515 WeakPolarHBondContact CA-O 3.28Å; G34-E515 PolarHBondContact N-O 2.96Å
35L97.9Very high96Very high0 Ų013.6 Ų13.60%06%0.064CC..Hα-helixtrans-95.7-44.3-177.9-64.4-179000113.4Q31 L32 P33 T42 F122 R483 L519Q31-L35 HydrophobicContact CB-CD1 3.71Å; Q31-L35 HydrophobicContact CB-CG 4.2Å; Q31-L35 WeakPolarHBondContact O-CB 3.45Å; Q31-L35 VanDerWaalsContact O-CG 3.3Å; Q31-L35 WeakPolarHBondContact O-CG 3.43Å; Q31-L35 PolarHBondContact O-N 2.98Å; Q31-L35 VanDerWaalsContact O-N 3.07Å; L32-L35 PolarHBondContact O-N 2.87Å; P33-L35 VanDerWaalsContact C-N 3.29Å; P33-L35 PolarHBondContact O-N 2.91Å; L35-T42 CarbonylContact O-C 3.58Å; L35-T42 WeakPolarHBondContact O-CA 3.47Å; L35-T42 PolarHBondContact O-N 3.35Å; L35-T42 VanDerWaalsContact O-O 3.05Å; L35-T42 PolarHBondContact O-OG1 3.3Å; L35-F122 HydrophobicContact CD1-CB 4.2Å; L35-F122 HydrophobicContact CD1-CD1 4.43Å; L35-F122 HydrophobicContact CD1-CG 4.17Å; L35-F122 HydrophobicContact CD2-CD1 3.93Å; L35-F122 HydrophobicContact CD2-CD2 3.89Å; L35-F122 HydrophobicContact CD2-CE1 3.82Å; L35-F122 HydrophobicContact CD2-CE2 3.77Å; L35-F122 HydrophobicContact CD2-CG 3.98Å; L35-F122 HydrophobicContact CD2-CZ 3.74Å; L35-R483 HydrophobicContact CD1-CB 4.07Å; L35-L519 HydrophobicContact CD2-CD1 3.67Å; L35-L519 HydrophobicContact CG-CD1 4.06Å
36Y96.9Very high95.4Very high0 Ų014.9 Ų14.90%07%0.071CC..Hα-helixtrans-127.4-7.5-163.2-55.7-69.9000115.4L28 L32 I44 L79 G119 F122L28-Y36 HydrophobicContact CD1-CE2 3.85Å; L32-Y36 HydrophobicContact CD2-CD2 3.5Å; L32-Y36 HydrophobicContact CD2-CE2 4.03Å; L32-Y36 HydrophobicContact CD2-CG 4.48Å; L32-Y36 PolarHBondContact O-N 3.15Å; Y36-I44 PolarHBondContact O-N 2.98Å; Y36-L79 HydrophobicContact CD2-CD2 4.27Å; Y36-L79 HydrophobicContact CG-CD2 4.21Å; Y36-G119 VanDerWaalsContact CE1-O 3.3Å; Y36-G119 WeakPolarHBondContact CE1-O 3.45Å; Y36-G119 WeakPolarHBondContact OH-CA 3.49Å; Y36-G119 PolarHBondContact OH-O 3.25Å; Y36-F122 VanDerWaalsContact OH-CB 3.28Å; Y36-F122 WeakPolarHBondContact OH-CB 3.5Å
37S94.2Very high95Very high8 Ų817.3 Ų17.36%0.0568%0.083CC..SBendtrans-65.5171.2173.277.50000111.2L32 P33 Y39 G40 P43 Y76L32-S37 PolarHBondContact O-N 2.64Å; P33-S37 WeakPolarHBondContact O-CB 3.4Å; P33-S37 PolarHBondContact O-N 3.02Å; P33-S37 PolarHBondContact O-OG 2.85Å; S37-Y39 PolarHBondContact O-N 3.3Å; S37-Y39 VanDerWaalsContact O-N 3.12Å; S37-Y39 PolarHBondContact OG-N 2.87Å; S37-Y39 VanDerWaalsContact OG-N 3.14Å; S37-G40 PolarHBondContact O-N 3.15Å; S37-G40 PolarHBondContact OG-N 2.97Å; S37-G40 VanDerWaalsContact OG-N 3.12Å; S37-P43 WeakPolarHBondContact O-CA 3.28Å; S37-P43 VanDerWaalsContact O-CB 3.23Å; S37-P43 WeakPolarHBondContact O-CB 3.33Å; S37-P43 WeakPolarHBondContact O-CG 3.1Å; S37-Y76 VanDerWaalsContact CA-CD2 3.46Å
38E91.9Very high94.3Very high69 Ų6922.9 Ų22.932%0.32212%0.122SC..THydrogen-bonded Turntrans-55.6-27.2172.1-173.3177.516900112.9R508 R584E38-R508 PolarHBondContact O-NH2 3.09Å; E38-R584 WeakPolarHBondContact OE1-CD 3.36Å; E38-R584 IonicContact OE1-CZ 2.73Å; E38-R584 IonicContact OE1-NE 2.67Å; E38-R584 PolarHBondContact OE1-NE 3.41Å; E38-R584 IonicContact OE1-NH1 3.82Å; E38-R584 PolarHBondContact OE1-NH1 2.83Å
39Y93.8Very high93.7Very high95 Ų9525.1 Ų25.137%0.37313%0.134SC..THydrogen-bonded Turntrans-99.5-1.1178.5-57-67.9000113.2S37 R508 E515 V516S37-Y39 PolarHBondContact O-N 3.3Å; S37-Y39 VanDerWaalsContact O-N 3.12Å; S37-Y39 PolarHBondContact OG-N 2.87Å; S37-Y39 VanDerWaalsContact OG-N 3.14Å; Y39-R508 VanDerWaalsContact O-CD 3.25Å; Y39-R508 WeakPolarHBondContact O-CD 3.34Å; Y39-R508 PolarHBondContact O-NE 3.36Å; Y39-E515 WeakPolarHBondContact CB-OE2 3.48Å; Y39-E515 WeakPolarHBondContact CD2-OE1 3.41Å; Y39-V516 WeakPolarHBondContact O-CG2 3.43Å
40G96Very high93.2Very high0 Ų028.8 Ų28.80%016%0.16CC..SBendtrans-75.7176.1-179.800000114.6G34 S37 P43 R508G34-G40 CarbonylContact O-C 3.58Å; G34-G40 WeakPolarHBondContact O-CA 3.46Å; S37-G40 PolarHBondContact O-N 3.15Å; S37-G40 PolarHBondContact OG-N 2.97Å; S37-G40 VanDerWaalsContact OG-N 3.12Å; G40-P43 WeakPolarHBondContact O-CD 3.36Å; G40-R508 PolarHBondContact O-NE 3.41Å; G40-R508 PolarHBondContact O-NH2 3.19Å
41V96.9Very high92.8Very high0 Ų029.8 Ų29.80%017%0.171CC..SBendtrans-67.5-39.2179.5-179.60000112.1G34 F122 W501 N504 L505 V516G34-V41 PolarHBondContact O-N 2.95Å; V41-F122 HydrophobicContact CB-CE2 4.3Å; V41-F122 HydrophobicContact CB-CZ 4.44Å; V41-F122 HydrophobicContact CG1-CE2 4.12Å; V41-F122 HydrophobicContact CG1-CZ 4.07Å; V41-W501 HydrophobicContact CG1-CB 4.23Å; V41-W501 HydrophobicContact CG1-CE3 4.32Å; V41-W501 VanDerWaalsContact CG1-O 3.25Å; V41-W501 WeakPolarHBondContact CG1-O 3.34Å; V41-N504 HydrophobicContact CG1-CB 4.28Å; V41-N504 WeakPolarHBondContact O-CB 3.5Å; V41-N504 PolarHBondContact O-ND2 2.87Å; V41-L505 HydrophobicContact CG1-CB 4.09Å; V41-L505 HydrophobicContact CG2-CB 4.4Å; V41-L505 HydrophobicContact CG2-CD1 3.96Å; V41-V516 HydrophobicContact CG2-CG1 3.9Å; V41-V516 HydrophobicContact CG2-CG2 4.03Å
42T95.4Very high92.5Very high5 Ų530.9 Ų30.93%0.03118%0.179CC..SBendtrans-131.474.3178.948.60000110.1L35 I44 F122 W501L35-T42 CarbonylContact O-C 3.58Å; L35-T42 WeakPolarHBondContact O-CA 3.47Å; L35-T42 PolarHBondContact O-N 3.35Å; L35-T42 VanDerWaalsContact O-O 3.05Å; L35-T42 PolarHBondContact O-OG1 3.3Å; T42-I44 PolarHBondContact O-N 2.88Å; T42-F122 HydrophobicContact CG2-CD2 4.3Å; T42-F122 HydrophobicContact CG2-CE2 3.81Å; T42-F122 WeakPolarHBondContact OG1-CD2 3.49Å; T42-F122 WeakPolarHBondContact OG1-CE2 3.43Å; T42-W501 HydrophobicContact CG2-CB 3.81Å
43P94.4Very high92.3Very high7 Ų739.4 Ų39.45%0.04522%0.216CC..  trans-56.3135.5-177.4-24.935.1000111.8S37 G40 Q45 T46 L579S37-P43 WeakPolarHBondContact O-CA 3.28Å; S37-P43 VanDerWaalsContact O-CB 3.23Å; S37-P43 WeakPolarHBondContact O-CB 3.33Å; S37-P43 WeakPolarHBondContact O-CG 3.1Å; G40-P43 WeakPolarHBondContact O-CD 3.36Å; P43-Q45 PolarHBondContact O-N 2.99Å; P43-Q45 VanDerWaalsContact O-N 3.17Å; P43-T46 HydrophobicContact CB-CG2 4.3Å; P43-T46 PolarHBondContact O-N 2.9Å; P43-T46 VanDerWaalsContact O-N 3.15Å; P43-T46 PolarHBondContact O-OG1 2.91Å; P43-L579 HydrophobicContact CG-CD1 3.57Å
44I92.4Very high92Very high0 Ų044.4 Ų44.40%024%0.242CC..G310 helixtrans-62.8-25.2-178.9-167.5168.5000112.6Y36 T42 T46 L47 L49 V65 L79 V118Y36-I44 PolarHBondContact O-N 2.98Å; T42-I44 PolarHBondContact O-N 2.88Å; I44-T46 PolarHBondContact O-N 3.12Å; I44-L47 HydrophobicContact CG1-CD1 4.35Å; I44-L47 VanDerWaalsContact O-CB 3.32Å; I44-L47 WeakPolarHBondContact O-CB 3.46Å; I44-L47 PolarHBondContact O-N 3Å; I44-L47 VanDerWaalsContact O-N 3.07Å; I44-L49 HydrophobicContact CD1-CD1 4.1Å; I44-L49 HydrophobicContact CG1-CD1 3.97Å; I44-V65 HydrophobicContact CD1-CG1 3.94Å; I44-L79 HydrophobicContact CD1-CB 4.28Å; I44-L79 HydrophobicContact CD1-CD2 4.15Å; I44-V118 HydrophobicContact CD1-CB 3.75Å; I44-V118 HydrophobicContact CD1-CG1 4.14Å; I44-V118 HydrophobicContact CD1-CG2 3.75Å; I44-V118 HydrophobicContact CG1-CB 4.22Å
45Q87.1Confident91.8Very high60 Ų6047.9 Ų47.928%0.2827%0.271SS..G310 helixtrans-67-16.4179.8-59.780.8-1.200112.8P43 L47P43-Q45 PolarHBondContact O-N 2.99Å; P43-Q45 VanDerWaalsContact O-N 3.17Å; Q45-L47 PolarHBondContact O-N 3.26Å
46T87.5Confident91.6Very high26 Ų2651.3 Ų51.316%0.1630%0.295CS..G310 helixtrans-71.6-21173.866.80000112P43 I44 K582P43-T46 HydrophobicContact CB-CG2 4.3Å; P43-T46 PolarHBondContact O-N 2.9Å; P43-T46 VanDerWaalsContact O-N 3.15Å; P43-T46 PolarHBondContact O-OG1 2.91Å; I44-T46 PolarHBondContact O-N 3.12Å; T46-K582 PolarHBondContact O-NZ 3.41Å
47L89.1Confident91.5Very high56 Ų5652.9 Ų52.929%0.29330%0.303SS..SBendtrans-81137.8176.3-58.1178.2000111.4I44 Q45 L49 V118 Q120I44-L47 HydrophobicContact CG1-CD1 4.35Å; I44-L47 VanDerWaalsContact O-CB 3.32Å; I44-L47 WeakPolarHBondContact O-CB 3.46Å; I44-L47 PolarHBondContact O-N 3Å; I44-L47 VanDerWaalsContact O-N 3.07Å; Q45-L47 PolarHBondContact O-N 3.26Å; L47-L49 HydrophobicContact CB-CG 4.23Å; L47-L49 PolarHBondContact O-N 3.13Å; L47-L49 VanDerWaalsContact O-N 3.11Å; L47-V118 HydrophobicContact CD1-CB 4.18Å; L47-Q120 HydrophobicContact CD1-CG 4.09Å; L47-Q120 HydrophobicContact CD2-CG 4.11Å; L47-Q120 HydrophobicContact CG-CG 4.49Å; L47-Q120 VanDerWaalsContact CG-NE2 3.32Å
48S82.5Confident91.5Very high117 Ų11754.7 Ų54.782%0.81831%0.31SS*.  trans-79.191.4170.8-600000110.1
49L86Confident91.5Very high47 Ų4756.2 Ų56.225%0.24632%0.319CS..  trans-100.7103.9174.3-63.2173.4000109.4I44 L47 V65 V118I44-L49 HydrophobicContact CD1-CD1 4.1Å; I44-L49 HydrophobicContact CG1-CD1 3.97Å; L47-L49 HydrophobicContact CB-CG 4.23Å; L47-L49 PolarHBondContact O-N 3.13Å; L47-L49 VanDerWaalsContact O-N 3.11Å; L49-V65 HydrophobicContact CD1-CG1 3.93Å; L49-V118 HydrophobicContact CD1-CG1 4.14Å; L49-V118 HydrophobicContact CD2-CG1 4.09Å
50S87Confident91.4Very high83 Ų8356.4 Ų56.458%0.5833%0.327SS*.PPolyproline II helixtrans-86.9137.9174-54.40000110.9R66S50-R66 PolarHBondContact O-NE 3.15Å; S50-R66 PolarHBondContact O-NH2 3.12Å; S50-R66 VanDerWaalsContact O-NH2 3.15Å
51A89.6Confident91.2Very high33 Ų3360.6 Ų60.627%0.27335%0.349SS..PPolyproline II helixtrans-53.4146.4167.800000111K53 R66 E69A51-K53 PolarHBondContact O-N 3.27Å; A51-R66 PolarHBondContact O-NH2 3.15Å; A51-E69 WeakPolarHBondContact CB-OE2 3.31Å
52P92.2Very high91.1Very high34 Ų3461.7 Ų61.722%0.22136%0.355CS..PPolyproline II helixtrans-65.5132.217628.1-32.2000110.3D57 F58 R66 L67P52-D57 WeakPolarHBondContact CA-OD2 3.01Å; P52-F58 HydrophobicContact CB-CB 3.8Å; P52-F58 HydrophobicContact CB-CD2 4.14Å; P52-F58 HydrophobicContact CB-CG 4.44Å; P52-F58 HydrophobicContact CG-CB 4.46Å; P52-F58 HydrophobicContact CG-CD2 4.1Å; P52-R66 VanDerWaalsContact CD-O 3.24Å; P52-R66 WeakPolarHBondContact CD-O 3.45Å; P52-L67 HydrophobicContact CG-CD2 3.69Å
53K92Very high91.1Very high180 Ų18061.9 Ų61.978%0.78336%0.356SS*.SBendtrans-70.5-46.6175.9-63.7-178.6-179.1-179.10111.1A51 D57A51-K53 PolarHBondContact O-N 3.27Å; K53-D57 PolarHBondContact N-OD2 2.85Å; K53-D57 VanDerWaalsContact N-OD2 3.09Å
54D92.9Very high91.2Very high112 Ų11262.8 Ų62.860%0.59936%0.361SS*.SBendtrans-145.2172.3-177.1-60.6-57.3000110.4S56 D57 F58D54-S56 VanDerWaalsContact C-N 3.26Å; D54-S56 PolarHBondContact O-N 3.34Å; D54-D57 PolarHBondContact O-N 2.83Å; D54-F58 PolarHBondContact O-N 3.38Å
55A92.6Very high91.3Very high74 Ų7462.9 Ų62.961%0.61236%0.362SS*.Hα-helixtrans-58.8-35177.300000113.3F58 I59A55-F58 PolarHBondContact O-N 3.49Å; A55-I59 VanDerWaalsContact O-CG1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.47Å; A55-I59 PolarHBondContact O-N 3.4Å
56S93.5Very high91.6Very high71 Ų7161.3 Ų61.350%0.49735%0.353SS..Hα-helixtrans-67.2-41.9178.357.30000112.3D54 I59 N60D54-S56 VanDerWaalsContact C-N 3.26Å; D54-S56 PolarHBondContact O-N 3.34Å; S56-I59 PolarHBondContact O-N 3.42Å; S56-N60 WeakPolarHBondContact O-CB 3.39Å; S56-N60 VanDerWaalsContact O-CG 3.26Å; S56-N60 PolarHBondContact O-N 3.5Å; S56-N60 PolarHBondContact O-ND2 2.69Å
57D93.9Very high91.9Very high34 Ų3462.4 Ų62.418%0.18236%0.358CS..Hα-helixtrans-64.5-41.3173.2173.234.3000111.1P52 K53 D54 I59 N61 R66P52-D57 WeakPolarHBondContact CA-OD2 3.01Å; K53-D57 PolarHBondContact N-OD2 2.85Å; K53-D57 VanDerWaalsContact N-OD2 3.09Å; D54-D57 PolarHBondContact O-N 2.83Å; D57-I59 PolarHBondContact O-N 3.5Å; D57-N61 WeakPolarHBondContact O-CB 3.49Å; D57-N61 PolarHBondContact O-N 3.39Å; D57-N61 PolarHBondContact OD1-ND2 2.89Å; D57-N61 VanDerWaalsContact OD1-ND2 3.15Å; D57-R66 PolarHBondContact O-NH1 3.37Å; D57-R66 IonicContact OD1-CZ 3.72Å; D57-R66 IonicContact OD1-NH1 2.96Å; D57-R66 PolarHBondContact OD1-NH1 3.42Å; D57-R66 IonicContact OD1-NH2 2.79Å; D57-R66 PolarHBondContact OD1-NH2 2.91Å; D57-R66 IonicContact OD2-CZ 3.12Å; D57-R66 IonicContact OD2-NH1 3.53Å; D57-R66 IonicContact OD2-NH2 2.66Å; D57-R66 PolarHBondContact OD2-NH2 3.42Å
58F94.1Very high92.1Very high46 Ų4660 Ų6020%0.20235%0.346CS..Hα-helixtrans-61.3-44.1174.7-175.5-106.7000112.1P52 D54 A55 N61 L62 N63 L67P52-F58 HydrophobicContact CB-CB 3.8Å; P52-F58 HydrophobicContact CB-CD2 4.14Å; P52-F58 HydrophobicContact CB-CG 4.44Å; P52-F58 HydrophobicContact CG-CB 4.46Å; P52-F58 HydrophobicContact CG-CD2 4.1Å; D54-F58 PolarHBondContact O-N 3.38Å; A55-F58 PolarHBondContact O-N 3.49Å; F58-N61 CarbonylContact O-C 3.45Å; F58-L62 HydrophobicContact CD1-CD1 4.24Å; F58-L62 HydrophobicContact CE1-CD1 3.57Å; F58-L62 HydrophobicContact CZ-CD1 3.77Å; F58-L62 WeakPolarHBondContact O-CA 3.33Å; F58-L62 PolarHBondContact O-N 3.43Å; F58-N63 WeakPolarHBondContact CE2-O 3.47Å; F58-L67 HydrophobicContact CD2-CD2 4.18Å; F58-L67 HydrophobicContact CD2-CG 4.46Å; F58-L67 HydrophobicContact CE2-CD1 3.9Å; F58-L67 HydrophobicContact CE2-CD2 4Å; F58-L67 HydrophobicContact CE2-CG 3.8Å; F58-L67 HydrophobicContact CZ-CD1 3.89Å; F58-L67 HydrophobicContact CZ-CG 4.32Å
59I92.2Very high92.4Very high100 Ų10060.3 Ų60.351%0.51334%0.335SS..Hα-helixtrans-63.9-51.8178.8-70.4164.6000110.4A55 S56 D57 N61 L62 Y425A55-I59 VanDerWaalsContact O-CG1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.47Å; A55-I59 PolarHBondContact O-N 3.4Å; S56-I59 PolarHBondContact O-N 3.42Å; D57-I59 PolarHBondContact O-N 3.5Å; I59-N61 PolarHBondContact O-N 2.97Å; I59-L62 PolarHBondContact O-N 3.01Å; I59-Y425 WeakPolarHBondContact O-CE1 3.21Å; I59-Y425 PolarHBondContact O-OH 3.26Å
60N91.5Very high92.5Very high99 Ų9966.1 Ų66.153%0.52936%0.358SS..Hα-helixtrans-59.6-35.6-178.6-72.7-26.9000112.7S56S56-N60 WeakPolarHBondContact O-CB 3.39Å; S56-N60 VanDerWaalsContact O-CG 3.26Å; S56-N60 PolarHBondContact O-N 3.5Å; S56-N60 PolarHBondContact O-ND2 2.69Å
61N92Very high92.7Very high88 Ų8865.5 Ų65.547%0.47135%0.348SS..THydrogen-bonded Turntrans-118.352.5179.9-66.1-59.7000110.6D57 F58 I59 N63 R66D57-N61 WeakPolarHBondContact O-CB 3.49Å; D57-N61 PolarHBondContact O-N 3.39Å; D57-N61 PolarHBondContact OD1-ND2 2.89Å; D57-N61 VanDerWaalsContact OD1-ND2 3.15Å; F58-N61 CarbonylContact O-C 3.45Å; I59-N61 PolarHBondContact O-N 2.97Å; N61-N63 PolarHBondContact O-N 2.61Å; N61-R66 VanDerWaalsContact CB-NH1 3.26Å; N61-R66 PolarHBondContact O-NH1 3.35Å
62L95.1Very high92.7Very high24 Ų2470 Ų7013%0.12636%0.363CS..  trans-55.9109.4-175.4-177.562.1000111.9F58 I59 W109 V110 L113 K117 Y425F58-L62 HydrophobicContact CD1-CD1 4.24Å; F58-L62 HydrophobicContact CE1-CD1 3.57Å; F58-L62 HydrophobicContact CZ-CD1 3.77Å; F58-L62 WeakPolarHBondContact O-CA 3.33Å; F58-L62 PolarHBondContact O-N 3.43Å; I59-L62 PolarHBondContact O-N 3.01Å; L62-W109 HydrophobicContact CD2-CH2 4.38Å; L62-W109 HydrophobicContact CD2-CZ3 3.86Å; L62-V110 HydrophobicContact CD1-CG1 4.34Å; L62-V110 HydrophobicContact CD2-CG2 4.25Å; L62-L113 HydrophobicContact CB-CD2 4.42Å; L62-L113 HydrophobicContact CD2-CD2 3.89Å; L62-L113 HydrophobicContact CG-CD2 4.19Å; L62-K117 WeakPolarHBondContact O-CD 3.31Å; L62-K117 WeakPolarHBondContact O-CE 3.5Å; L62-K117 PolarHBondContact O-NZ 3.04Å; L62-Y425 HydrophobicContact CB-CD1 4.36Å; L62-Y425 HydrophobicContact CB-CE1 4.01Å; L62-Y425 HydrophobicContact CD2-CD1 4.38Å; L62-Y425 HydrophobicContact CD2-CE1 4.44Å
63N95.7Very high92.6Very high8 Ų868.6 Ų68.64%0.04335%0.354CS..  trans-161.4111.9176.1179.5-1.2000109.1F58 N61 V65 R66 S114 K117 V118F58-N63 WeakPolarHBondContact CE2-O 3.47Å; N61-N63 PolarHBondContact O-N 2.61Å; N63-V65 PolarHBondContact O-N 2.66Å; N63-V65 WeakPolarHBondContact OD1-CB 3.36Å; N63-V65 PolarHBondContact OD1-N 3.21Å; N63-R66 HydrophobicContact CB-CG 4.02Å; N63-R66 WeakPolarHBondContact O-CB 3.44Å; N63-R66 PolarHBondContact O-N 3.14Å; N63-S114 WeakPolarHBondContact OD1-CB 3.17Å; N63-K117 HydrophobicContact CB-CD 4.29Å; N63-V118 VanDerWaalsContact ND2-CG1 3.27Å; N63-V118 WeakPolarHBondContact ND2-CG1 3.44Å
64V95.9Very high92.5Very high27 Ų2762.9 Ų62.916%0.16433%0.332CS..G310 helixtrans-60.2-28.6-179.2176.50000112R66 L67 V82 V110 S114V64-R66 PolarHBondContact O-N 2.92Å; V64-R66 VanDerWaalsContact O-N 3.16Å; V64-L67 VanDerWaalsContact O-CB 3.28Å; V64-L67 WeakPolarHBondContact O-CB 3.16Å; V64-L67 PolarHBondContact O-N 3.12Å; V64-V82 HydrophobicContact CB-CG2 4.05Å; V64-V82 HydrophobicContact CG1-CG2 3.74Å; V64-V110 HydrophobicContact CG2-CG1 3.58Å; V64-S114 WeakPolarHBondContact CG2-OG 3.34Å; V64-S114 PolarHBondContact N-OG 2.91Å
65V94.7Very high92.5Very high2 Ų259.2 Ų59.21%0.01232%0.315CS..G310 helixtrans-62.9-23.7177.9-174.80000111.9I44 L49 N63 L67 A68 C78 L79 V118I44-V65 HydrophobicContact CD1-CG1 3.94Å; L49-V65 HydrophobicContact CD1-CG1 3.93Å; N63-V65 PolarHBondContact O-N 2.66Å; N63-V65 WeakPolarHBondContact OD1-CB 3.36Å; N63-V65 PolarHBondContact OD1-N 3.21Å; V65-L67 PolarHBondContact O-N 3.38Å; V65-A68 WeakPolarHBondContact O-CB 3.33Å; V65-A68 PolarHBondContact O-N 2.99Å; V65-C78 HydrophobicContact CG1-CB 4.36Å; V65-L79 HydrophobicContact CG2-CB 4.4Å; V65-L79 HydrophobicContact CG2-CD1 4.47Å; V65-V118 HydrophobicContact CB-CG1 4.25Å; V65-V118 HydrophobicContact CG1-CG1 4.46Å; V65-V118 HydrophobicContact CG2-CG1 4.3Å; V65-V118 HydrophobicContact CG2-CG2 4.35Å
66R94.1Very high92.5Very high27 Ų2756.7 Ų56.710%0.10229%0.29CS..G310 helixtrans-67.3-15173.2-60.2178.165.3-157.52.1113.2S50 A51 P52 D57 N61 N63 V64 A68S50-R66 PolarHBondContact O-NE 3.15Å; S50-R66 PolarHBondContact O-NH2 3.12Å; S50-R66 VanDerWaalsContact O-NH2 3.15Å; A51-R66 PolarHBondContact O-NH2 3.15Å; P52-R66 VanDerWaalsContact CD-O 3.24Å; P52-R66 WeakPolarHBondContact CD-O 3.45Å; D57-R66 PolarHBondContact O-NH1 3.37Å; D57-R66 IonicContact OD1-CZ 3.72Å; D57-R66 IonicContact OD1-NH1 2.96Å; D57-R66 PolarHBondContact OD1-NH1 3.42Å; D57-R66 IonicContact OD1-NH2 2.79Å; D57-R66 PolarHBondContact OD1-NH2 2.91Å; D57-R66 IonicContact OD2-CZ 3.12Å; D57-R66 IonicContact OD2-NH1 3.53Å; D57-R66 IonicContact OD2-NH2 2.66Å; D57-R66 PolarHBondContact OD2-NH2 3.42Å; N61-R66 VanDerWaalsContact CB-NH1 3.26Å; N61-R66 PolarHBondContact O-NH1 3.35Å; N63-R66 HydrophobicContact CB-CG 4.02Å; N63-R66 WeakPolarHBondContact O-CB 3.44Å; N63-R66 PolarHBondContact O-N 3.14Å; V64-R66 PolarHBondContact O-N 2.92Å; V64-R66 VanDerWaalsContact O-N 3.16Å; R66-A68 VanDerWaalsContact C-N 3.26Å
67L93.7Very high92.6Very high49 Ų4954.6 Ų54.626%0.25727%0.272SS..G310 helixtrans-86.96.8173.8-55.6175.6000112.4P52 F58 V64 V65 E69 F70 L71P52-L67 HydrophobicContact CG-CD2 3.69Å; F58-L67 HydrophobicContact CD2-CD2 4.18Å; F58-L67 HydrophobicContact CD2-CG 4.46Å; F58-L67 HydrophobicContact CE2-CD1 3.9Å; F58-L67 HydrophobicContact CE2-CD2 4Å; F58-L67 HydrophobicContact CE2-CG 3.8Å; F58-L67 HydrophobicContact CZ-CD1 3.89Å; F58-L67 HydrophobicContact CZ-CG 4.32Å; V64-L67 VanDerWaalsContact O-CB 3.28Å; V64-L67 WeakPolarHBondContact O-CB 3.16Å; V64-L67 PolarHBondContact O-N 3.12Å; V65-L67 PolarHBondContact O-N 3.38Å; L67-E69 VanDerWaalsContact C-N 3.32Å; L67-E69 PolarHBondContact O-N 3.32Å; L67-F70 PolarHBondContact O-N 3.26Å; L67-F70 VanDerWaalsContact O-N 3.15Å; L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 3.01Å
68A92Very high92.6Very high5 Ų553 Ų534%0.04126%0.263CS..THydrogen-bonded Turntrans-53.4-46.6179.700000112.4V65 R66 F70 L71 Q72 L73 C78V65-A68 WeakPolarHBondContact O-CB 3.33Å; V65-A68 PolarHBondContact O-N 2.99Å; R66-A68 VanDerWaalsContact C-N 3.26Å; A68-F70 PolarHBondContact O-N 2.89Å; A68-L71 CarbonylContact O-C 3.59Å; A68-L71 PolarHBondContact O-N 3.46Å; A68-Q72 PolarHBondContact O-N 3.2Å; A68-L73 CarbonylContact C-O 3.57Å; A68-L73 WeakPolarHBondContact CB-O 3.39Å; A68-L73 PolarHBondContact O-N 3Å; A68-L73 VanDerWaalsContact O-O 3.12Å; A68-C78 HydrophobicContact CB-CB 3.68Å
69E88.8Confident92.8Very high123 Ų12350.9 Ų50.958%0.57525%0.254SS*.THydrogen-bonded Turntrans-61.5-43.4177.3-67.2179.7-164.800112.3A51 L67 L71 Q72A51-E69 WeakPolarHBondContact CB-OE2 3.31Å; L67-E69 VanDerWaalsContact C-N 3.32Å; L67-E69 PolarHBondContact O-N 3.32Å; E69-L71 VanDerWaalsContact C-N 3.28Å; E69-L71 PolarHBondContact O-N 3.07Å; E69-Q72 PolarHBondContact O-N 3.01Å
70F89.3Confident93Very high170 Ų17046.1 Ų46.175%0.74623%0.229SC*.THydrogen-bonded Turntrans-63.3-35.8176.9179.2-94.6000112.1L67 A68 Q72L67-F70 PolarHBondContact O-N 3.26Å; L67-F70 VanDerWaalsContact O-N 3.15Å; A68-F70 PolarHBondContact O-N 2.89Å; F70-Q72 PolarHBondContact O-N 2.85Å
71L90.2Very high93.3Very high70 Ų7043.4 Ų43.437%0.36622%0.215SC..THydrogen-bonded Turntrans-81.2-0.8175.7-64.3174.3000113.2L67 A68 E69 L73 L81L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 3.01Å; A68-L71 CarbonylContact O-C 3.59Å; A68-L71 PolarHBondContact O-N 3.46Å; E69-L71 VanDerWaalsContact C-N 3.28Å; E69-L71 PolarHBondContact O-N 3.07Å; L71-L73 HydrophobicContact CB-CB 4.47Å; L71-L73 HydrophobicContact CB-CD1 4.03Å; L71-L73 HydrophobicContact CB-CG 4.08Å; L71-L73 HydrophobicContact CD1-CD1 4.44Å; L71-L73 PolarHBondContact O-N 2.89Å; L71-L81 HydrophobicContact CD1-CD2 4.32Å
72Q89.5Confident93.6Very high127 Ų12739.3 Ų39.359%0.59319%0.193SC*.THydrogen-bonded Turntrans52.739.8-173.5-57.2175.66.500112A68 E69 F70 T591A68-Q72 PolarHBondContact O-N 3.2Å; E69-Q72 PolarHBondContact O-N 3.01Å; F70-Q72 PolarHBondContact O-N 2.85Å; Q72-T591 HydrophobicContact CB-CG2 3.85Å; Q72-T591 WeakPolarHBondContact O-CG2 3.48Å
73L90.8Very high93.8Very high5 Ų538.2 Ų38.23%0.02619%0.187CC..  trans-115.8149177.2-66175.8000109.5A68 L71 K77 C78 L81 V593A68-L73 CarbonylContact C-O 3.57Å; A68-L73 WeakPolarHBondContact CB-O 3.39Å; A68-L73 PolarHBondContact O-N 3Å; A68-L73 VanDerWaalsContact O-O 3.12Å; L71-L73 HydrophobicContact CB-CB 4.47Å; L71-L73 HydrophobicContact CB-CD1 4.03Å; L71-L73 HydrophobicContact CB-CG 4.08Å; L71-L73 HydrophobicContact CD1-CD1 4.44Å; L71-L73 PolarHBondContact O-N 2.89Å; L73-K77 HydrophobicContact CB-CB 4.33Å; L73-K77 HydrophobicContact CD2-CB 4.32Å; L73-C78 HydrophobicContact CB-CB 4.39Å; L73-L81 HydrophobicContact CD1-CD2 3.86Å; L73-V593 HydrophobicContact CD1-CG1 4.14Å; L73-V593 HydrophobicContact CD2-CB 4.41Å; L73-V593 HydrophobicContact CD2-CG1 4.38Å
74D90.4Very high93.9Very high60 Ų6038.6 Ų38.632%0.32119%0.19SC..  trans-67.1157.8162.672.561.2000110.6Y76 K77 C78D74-Y76 PolarHBondContact O-N 3.21Å; D74-Y76 WeakPolarHBondContact OD1-CA 3.48Å; D74-Y76 WeakPolarHBondContact OD1-CB 3.28Å; D74-Y76 PolarHBondContact OD1-N 3.5Å; D74-K77 PolarHBondContact O-N 2.86Å; D74-K77 WeakPolarHBondContact OD1-CB 3.46Å; D74-K77 WeakPolarHBondContact OD1-CG 3.48Å; D74-K77 PolarHBondContact OD1-N 3.49Å; D74-K77 WeakPolarHBondContact OD2-CG 3.43Å; D74-C78 WeakPolarHBondContact O-CB 3.33Å; D74-C78 PolarHBondContact O-N 2.77Å
75S91.9Very high94Very high34 Ų3440 Ų4024%0.23820%0.198CC..Hα-helixtrans-58.5-33.2-177.1-53.50000113.1L79S75-L79 PolarHBondContact O-N 3.49Å
76Y93.9Very high94.2Very high22 Ų2239.9 Ų39.99%0.08620%0.198CC..Hα-helixtrans-72.3-44.8178.8170.1-98.6000111.4L32 P33 S37 D74 C78 L79 E80L32-Y76 HydrophobicContact CB-CE2 4.17Å; P33-Y76 WeakPolarHBondContact CA-OH 3.32Å; P33-Y76 WeakPolarHBondContact CG-OH 3.4Å; S37-Y76 VanDerWaalsContact CA-CD2 3.46Å; D74-Y76 PolarHBondContact O-N 3.21Å; D74-Y76 WeakPolarHBondContact OD1-CA 3.48Å; D74-Y76 WeakPolarHBondContact OD1-CB 3.28Å; D74-Y76 PolarHBondContact OD1-N 3.5Å; Y76-C78 VanDerWaalsContact C-N 3.28Å; Y76-C78 PolarHBondContact O-N 2.94Å; Y76-L79 CarbonylContact O-C 3.52Å; Y76-L79 WeakPolarHBondContact O-CB 3.32Å; Y76-L79 PolarHBondContact O-N 3.18Å; Y76-L79 VanDerWaalsContact O-N 3.15Å; Y76-E80 WeakPolarHBondContact O-CB 3.05Å; Y76-E80 PolarHBondContact O-N 3.44Å
77K94.3Very high94.4Very high27 Ų2740.4 Ų40.412%0.11720%0.202CC..Hα-helixtrans-64.5-33.5174.6-70.5-70.4169.2-1710111.7L73 D74 E80 L81 L597 T598L73-K77 HydrophobicContact CB-CB 4.33Å; L73-K77 HydrophobicContact CD2-CB 4.32Å; D74-K77 PolarHBondContact O-N 2.86Å; D74-K77 WeakPolarHBondContact OD1-CB 3.46Å; D74-K77 WeakPolarHBondContact OD1-CG 3.48Å; D74-K77 PolarHBondContact OD1-N 3.49Å; D74-K77 WeakPolarHBondContact OD2-CG 3.43Å; K77-E80 IonicContact NZ-OE2 3.43Å; K77-E80 PolarHBondContact NZ-OE2 2.95Å; K77-E80 PolarHBondContact O-N 2.95Å; K77-L81 WeakPolarHBondContact O-CB 3.25Å; K77-L81 PolarHBondContact O-N 3.26Å; K77-L597 HydrophobicContact CB-CD1 4.5Å; K77-L597 HydrophobicContact CD-CB 4.38Å; K77-L597 HydrophobicContact CD-CD1 4.45Å; K77-L597 WeakPolarHBondContact O-CD1 3.46Å; K77-T598 PolarHBondContact NZ-OG1 3.11Å
78C95.4Very high94.6Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-66.2-43.4171.2-166.40000111.7V65 A68 L73 D74 Y76 L81 V82V65-C78 HydrophobicContact CG1-CB 4.36Å; A68-C78 HydrophobicContact CB-CB 3.68Å; L73-C78 HydrophobicContact CB-CB 4.39Å; D74-C78 WeakPolarHBondContact O-CB 3.33Å; D74-C78 PolarHBondContact O-N 2.77Å; Y76-C78 VanDerWaalsContact C-N 3.28Å; Y76-C78 PolarHBondContact O-N 2.94Å; C78-L81 WeakPolarHBondContact O-CB 3.49Å; C78-L81 PolarHBondContact O-N 3.21Å; C78-V82 WeakPolarHBondContact O-CB 3.46Å; C78-V82 VanDerWaalsContact O-CG2 3.3Å; C78-V82 WeakPolarHBondContact O-CG2 3.42Å; C78-V82 PolarHBondContact O-N 3.15Å
79L96.8Very high95Very high1 Ų143.1 Ų43.11%0.00522%0.219CC..Hα-helixtrans-62.1-42.3172.3177.961000111.8L32 Y36 I44 V65 S75 Y76 L81 V82 T83 A115 V118L32-L79 HydrophobicContact CD2-CD2 3.75Å; L32-L79 HydrophobicContact CD2-CG 4.03Å; Y36-L79 HydrophobicContact CD2-CD2 4.27Å; Y36-L79 HydrophobicContact CG-CD2 4.21Å; I44-L79 HydrophobicContact CD1-CB 4.28Å; I44-L79 HydrophobicContact CD1-CD2 4.15Å; V65-L79 HydrophobicContact CG2-CB 4.4Å; V65-L79 HydrophobicContact CG2-CD1 4.47Å; S75-L79 PolarHBondContact O-N 3.49Å; Y76-L79 CarbonylContact O-C 3.52Å; Y76-L79 WeakPolarHBondContact O-CB 3.32Å; Y76-L79 PolarHBondContact O-N 3.18Å; Y76-L79 VanDerWaalsContact O-N 3.15Å; L79-L81 PolarHBondContact O-N 3.46Å; L79-V82 WeakPolarHBondContact O-CB 3.22Å; L79-V82 PolarHBondContact O-N 3.12Å; L79-T83 HydrophobicContact CD1-CG2 4.39Å; L79-T83 WeakPolarHBondContact O-CG2 3.26Å; L79-T83 PolarHBondContact O-N 3.24Å; L79-T83 PolarHBondContact O-OG1 2.82Å; L79-A115 HydrophobicContact CD1-CB 3.97Å; L79-V118 HydrophobicContact CD1-CG2 3.86Å; L79-V118 HydrophobicContact CD2-CG2 4.04Å; L79-V118 HydrophobicContact CG-CG2 4.48Å
80E97.3Very high95.4Very high0 Ų037.3 Ų37.30%019%0.191CC..Hα-helixtrans-58.9-47.8175.3-171.8165.7-141.400110.6Y29 L32 Y76 K77 V82 T83 V84 L597 R601Y29-E80 HydrophobicContact CD2-CG 4.46Å; Y29-E80 HydrophobicContact CE2-CG 3.83Å; L32-E80 HydrophobicContact CD1-CB 4.34Å; Y76-E80 WeakPolarHBondContact O-CB 3.05Å; Y76-E80 PolarHBondContact O-N 3.44Å; K77-E80 IonicContact NZ-OE2 3.43Å; K77-E80 PolarHBondContact NZ-OE2 2.95Å; K77-E80 PolarHBondContact O-N 2.95Å; E80-V82 PolarHBondContact O-N 3.35Å; E80-T83 PolarHBondContact O-N 3.48Å; E80-T83 PolarHBondContact O-OG1 3.36Å; E80-V84 WeakPolarHBondContact O-CG2 3.3Å; E80-V84 PolarHBondContact O-N 2.92Å; E80-L597 HydrophobicContact CG-CD2 4.37Å; E80-R601 IonicContact OE1-CZ 2.9Å; E80-R601 IonicContact OE1-NE 3.09Å; E80-R601 PolarHBondContact OE1-NE 2.91Å; E80-R601 IonicContact OE1-NH2 3.29Å; E80-R601 PolarHBondContact OE1-NH2 3.26Å
81L97.8Very high95.9Very high42 Ų4232.2 Ų32.222%0.2217%0.169CC..Hα-helixtrans-56.8-49173.9-176.162.6000111.9L71 L73 K77 C78 L79 T83 V84 V85 V593 L597L71-L81 HydrophobicContact CD1-CD2 4.32Å; L73-L81 HydrophobicContact CD1-CD2 3.86Å; K77-L81 WeakPolarHBondContact O-CB 3.25Å; K77-L81 PolarHBondContact O-N 3.26Å; C78-L81 WeakPolarHBondContact O-CB 3.49Å; C78-L81 PolarHBondContact O-N 3.21Å; L79-L81 PolarHBondContact O-N 3.46Å; L81-T83 VanDerWaalsContact C-N 3.27Å; L81-T83 PolarHBondContact O-N 2.96Å; L81-V84 PolarHBondContact O-N 2.97Å; L81-V85 HydrophobicContact CD1-CG2 4.04Å; L81-V85 HydrophobicContact CG-CG2 4.31Å; L81-V85 WeakPolarHBondContact O-CB 3.46Å; L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.27Å; L81-V85 PolarHBondContact O-N 3.03Å; L81-V593 HydrophobicContact CD1-CG1 4.03Å; L81-V593 HydrophobicContact CD2-CG1 4.13Å; L81-L597 HydrophobicContact CB-CD1 3.94Å; L81-L597 HydrophobicContact CD1-CD1 4.42Å; L81-L597 HydrophobicContact CD1-CD2 4.27Å
82V98.2Very high96.2Very high3 Ų331.6 Ų31.62%0.01817%0.166CC..Hα-helixtrans-54.5-45.7178.6161.70000110.9V64 C78 L79 E80 G86 L111V64-V82 HydrophobicContact CB-CG2 4.05Å; V64-V82 HydrophobicContact CG1-CG2 3.74Å; C78-V82 WeakPolarHBondContact O-CB 3.46Å; C78-V82 VanDerWaalsContact O-CG2 3.3Å; C78-V82 WeakPolarHBondContact O-CG2 3.42Å; C78-V82 PolarHBondContact O-N 3.15Å; L79-V82 WeakPolarHBondContact O-CB 3.22Å; L79-V82 PolarHBondContact O-N 3.12Å; E80-V82 PolarHBondContact O-N 3.35Å; V82-G86 PolarHBondContact O-N 3.07Å; V82-L111 HydrophobicContact CB-CD2 4.12Å; V82-L111 HydrophobicContact CG1-CB 3.95Å; V82-L111 HydrophobicContact CG1-CD2 3.84Å; V82-L111 WeakPolarHBondContact CG1-O 3.43Å; V82-L111 HydrophobicContact CG2-CD2 3.98Å
83T98.3Very high96.5Very high0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-69.8-41.8178.959.20000113.1F25 L28 L32 L79 E80 L81 G86 I87F25-T83 HydrophobicContact CD1-CG2 4.38Å; L28-T83 HydrophobicContact CD2-CG2 3.74Å; L28-T83 HydrophobicContact CG-CG2 4.17Å; L32-T83 HydrophobicContact CD1-CG2 3.97Å; L32-T83 WeakPolarHBondContact CD1-OG1 3.05Å; L79-T83 HydrophobicContact CD1-CG2 4.39Å; L79-T83 WeakPolarHBondContact O-CG2 3.26Å; L79-T83 PolarHBondContact O-N 3.24Å; L79-T83 PolarHBondContact O-OG1 2.82Å; E80-T83 PolarHBondContact O-N 3.48Å; E80-T83 PolarHBondContact O-OG1 3.36Å; L81-T83 VanDerWaalsContact C-N 3.27Å; L81-T83 PolarHBondContact O-N 2.96Å; T83-G86 WeakPolarHBondContact O-CA 3.41Å; T83-G86 PolarHBondContact O-N 3.36Å; T83-I87 WeakPolarHBondContact O-CG1 3.19Å; T83-I87 PolarHBondContact O-N 3.21Å
84V98.4Very high96.8Very high17 Ų1725.4 Ų25.410%0.10314%0.137CC..Hα-helixtrans-63.7-45.8178.3171.30000111.1Y29 E80 L81 G86 I87 V88 L597 L600Y29-V84 HydrophobicContact CD2-CG2 3.79Å; Y29-V84 HydrophobicContact CE2-CG2 3.36Å; E80-V84 WeakPolarHBondContact O-CG2 3.3Å; E80-V84 PolarHBondContact O-N 2.92Å; L81-V84 PolarHBondContact O-N 2.97Å; V84-G86 VanDerWaalsContact C-N 3.27Å; V84-G86 PolarHBondContact O-N 2.75Å; V84-I87 WeakPolarHBondContact O-CB 3.46Å; V84-I87 PolarHBondContact O-N 2.65Å; V84-I87 VanDerWaalsContact O-N 3.17Å; V84-V88 WeakPolarHBondContact O-CG2 3.46Å; V84-V88 PolarHBondContact O-N 2.72Å; V84-L597 HydrophobicContact CB-CD2 4.49Å; V84-L597 HydrophobicContact CG2-CD2 4.18Å; V84-L600 HydrophobicContact CG1-CD2 3.87Å; V84-L600 HydrophobicContact CG2-CD2 3.9Å
85V98.6Very high97.1Very high56 Ų5624.2 Ų24.234%0.33913%0.129SC..Hα-helixtrans-60.7-40.7174.81760000110.3L81 I87 V88 L89 L111L81-V85 HydrophobicContact CD1-CG2 4.04Å; L81-V85 HydrophobicContact CG-CG2 4.31Å; L81-V85 WeakPolarHBondContact O-CB 3.46Å; L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.27Å; L81-V85 PolarHBondContact O-N 3.03Å; V85-I87 PolarHBondContact O-N 3.38Å; V85-V88 PolarHBondContact O-N 2.81Å; V85-L89 HydrophobicContact CG1-CD1 3.9Å; V85-L89 HydrophobicContact CG1-CG 4.25Å; V85-L89 WeakPolarHBondContact O-CB 3.44Å; V85-L89 WeakPolarHBondContact O-CG 3.28Å; V85-L89 PolarHBondContact O-N 3.35Å; V85-L111 HydrophobicContact CB-CD1 4.16Å; V85-L111 HydrophobicContact CG1-CD1 3.71Å
86G98.8Very high97.1Very high0 Ų024.4 Ų24.40%013%0.131CC..Hα-helixtrans-57.6-45.2173.200000113.1V82 T83 V84 S90 L108V82-G86 PolarHBondContact O-N 3.07Å; T83-G86 WeakPolarHBondContact O-CA 3.41Å; T83-G86 PolarHBondContact O-N 3.36Å; V84-G86 VanDerWaalsContact C-N 3.27Å; V84-G86 PolarHBondContact O-N 2.75Å; G86-S90 VanDerWaalsContact O-CB 3.23Å; G86-S90 WeakPolarHBondContact O-CB 3.21Å; G86-S90 PolarHBondContact O-N 2.76Å; G86-S90 PolarHBondContact O-OG 3.22Å; G86-L108 WeakPolarHBondContact O-CD2 3.38Å
87I98.6Very high96.8Very high37 Ų3728.1 Ų28.119%0.1916%0.155CC..Hα-helixtrans-60.8-48.5175.4-67.4168.9000110.7L22 F25 A26 Y29 T83 V84 V85 S90 F91L22-I87 HydrophobicContact CD1-CG2 3.91Å; F25-I87 HydrophobicContact CB-CG1 3.71Å; A26-I87 HydrophobicContact CB-CD1 4.33Å; A26-I87 HydrophobicContact CB-CG1 4.41Å; Y29-I87 HydrophobicContact CD1-CD1 4.37Å; Y29-I87 HydrophobicContact CD2-CD1 4.49Å; Y29-I87 HydrophobicContact CG-CD1 3.94Å; T83-I87 WeakPolarHBondContact O-CG1 3.19Å; T83-I87 PolarHBondContact O-N 3.21Å; V84-I87 WeakPolarHBondContact O-CB 3.46Å; V84-I87 PolarHBondContact O-N 2.65Å; V84-I87 VanDerWaalsContact O-N 3.17Å; V85-I87 PolarHBondContact O-N 3.38Å; I87-S90 WeakPolarHBondContact CA-OG 3.42Å; I87-S90 PolarHBondContact O-N 2.8Å; I87-S90 PolarHBondContact O-OG 3.23Å; I87-F91 WeakPolarHBondContact O-CB 3.45Å; I87-F91 PolarHBondContact O-N 3.31Å
88V98.5Very high96.5Very high77 Ų7729.5 Ų29.547%0.46717%0.172SC..Hα-helixtrans-62.3-49.4-178172.60000111.1V84 V85 S90 F91 L92V84-V88 WeakPolarHBondContact O-CG2 3.46Å; V84-V88 PolarHBondContact O-N 2.72Å; V85-V88 PolarHBondContact O-N 2.81Å; V88-S90 PolarHBondContact O-N 3.13Å; V88-F91 PolarHBondContact O-N 3.28Å; V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.44Å; V88-L92 WeakPolarHBondContact O-CB 3.34Å; V88-L92 VanDerWaalsContact O-CG 3.23Å; V88-L92 WeakPolarHBondContact O-CG 3.38Å; V88-L92 PolarHBondContact O-N 3.26Å
89L98.6Very high96.4Very high35 Ų3533 Ų3318%0.18319%0.187CC..Hα-helixtrans-64.7-40-179.5-70.4178.8000112.6V85 S93 V104 A107 L108 L111V85-L89 HydrophobicContact CG1-CD1 3.9Å; V85-L89 HydrophobicContact CG1-CG 4.25Å; V85-L89 WeakPolarHBondContact O-CB 3.44Å; V85-L89 WeakPolarHBondContact O-CG 3.28Å; V85-L89 PolarHBondContact O-N 3.35Å; L89-S93 WeakPolarHBondContact O-CB 3.41Å; L89-S93 PolarHBondContact O-N 2.97Å; L89-S93 PolarHBondContact O-OG 3.28Å; L89-V104 HydrophobicContact CB-CG1 4.25Å; L89-A107 HydrophobicContact CD1-CB 3.79Å; L89-L108 HydrophobicContact CB-CD2 3.78Å; L89-L108 HydrophobicContact CB-CG 4.24Å; L89-L111 HydrophobicContact CD1-CD1 4.14Å
90S98.6Very high96.2Very high0 Ų034.4 Ų34.40%019%0.192CC..Hα-helixtrans-71.2-37.8178.356.90000112.1L22 G86 I87 V88 S93 S94L22-S90 WeakPolarHBondContact CA-OG 3.47Å; L22-S90 WeakPolarHBondContact CB-OG 3.48Å; L22-S90 PolarHBondContact N-OG 2.93Å; G86-S90 VanDerWaalsContact O-CB 3.23Å; G86-S90 WeakPolarHBondContact O-CB 3.21Å; G86-S90 PolarHBondContact O-N 2.76Å; G86-S90 PolarHBondContact O-OG 3.22Å; I87-S90 WeakPolarHBondContact CA-OG 3.42Å; I87-S90 PolarHBondContact O-N 2.8Å; I87-S90 PolarHBondContact O-OG 3.23Å; V88-S90 PolarHBondContact O-N 3.13Å; S90-S93 WeakPolarHBondContact CA-OG 3.21Å; S90-S93 PolarHBondContact O-N 2.86Å; S90-S93 PolarHBondContact O-OG 3.49Å; S90-S93 VanDerWaalsContact O-OG 3.06Å; S90-S94 WeakPolarHBondContact O-CB 3.32Å; S90-S94 PolarHBondContact O-N 2.98Å; S90-S94 PolarHBondContact O-OG 2.66Å
91F98.3Very high96Very high63 Ų6334.8 Ų34.828%0.27620%0.195SC..Hα-helixtrans-61.7-49.8172-178.9-92.9000111.5L22 I87 V88 S93 S94 F95 L620L22-F91 HydrophobicContact CD1-CB 4.07Å; L22-F91 HydrophobicContact CD2-CB 4.5Å; L22-F91 HydrophobicContact CD2-CD2 4.19Å; I87-F91 WeakPolarHBondContact O-CB 3.45Å; I87-F91 PolarHBondContact O-N 3.31Å; V88-F91 PolarHBondContact O-N 3.28Å; F91-S93 PolarHBondContact O-N 2.62Å; F91-S94 WeakPolarHBondContact O-CB 3.26Å; F91-S94 PolarHBondContact O-N 3.14Å; F91-F95 HydrophobicContact CD2-CD2 4.06Å; F91-F95 AromaticContact CD2-CE2 3.96Å; F91-F95 HydrophobicContact CD2-CE2 3.96Å; F91-F95 HydrophobicContact CE1-CD2 4.35Å; F91-F95 AromaticContact CE2-CD2 3.86Å; F91-F95 HydrophobicContact CE2-CD2 3.86Å; F91-F95 AromaticContact CE2-CE2 3.68Å; F91-F95 HydrophobicContact CE2-CE2 3.68Å; F91-F95 HydrophobicContact CG-CD2 4.4Å; F91-F95 HydrophobicContact CZ-CD2 4.03Å; F91-F95 HydrophobicContact CZ-CE2 4.23Å; F91-F95 WeakPolarHBondContact O-CD2 3.25Å; F91-F95 PolarHBondContact O-N 2.97Å; F91-F95 VanDerWaalsContact O-N 3.15Å; F91-L620 HydrophobicContact CE2-CD1 3.75Å; F91-L620 HydrophobicContact CZ-CD1 3.41Å; F91-L620 VanDerWaalsContact CZ-CD1 3.41Å
92L97.4Very high95.7Very high57 Ų5732.8 Ų32.830%0.29818%0.184SC..Hα-helixtrans-60.5-43.9178.4-70.2170.2000111.7V88 S94 F95 S96 F99V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.44Å; V88-L92 WeakPolarHBondContact O-CB 3.34Å; V88-L92 VanDerWaalsContact O-CG 3.23Å; V88-L92 WeakPolarHBondContact O-CG 3.38Å; V88-L92 PolarHBondContact O-N 3.26Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 2.91Å; L92-F95 PolarHBondContact O-N 3.11Å; L92-S96 WeakPolarHBondContact O-CA 3.21Å; L92-S96 VanDerWaalsContact O-CB 3.26Å; L92-S96 WeakPolarHBondContact O-CB 3.44Å; L92-S96 PolarHBondContact O-N 3.36Å; L92-F99 HydrophobicContact CB-CB 4.07Å; L92-F99 HydrophobicContact CB-CD1 3.78Å; L92-F99 HydrophobicContact CB-CD2 3.97Å; L92-F99 HydrophobicContact CB-CE1 4.17Å; L92-F99 HydrophobicContact CB-CE2 4.33Å; L92-F99 HydrophobicContact CB-CG 3.67Å; L92-F99 HydrophobicContact CB-CZ 4.42Å; L92-F99 HydrophobicContact CD1-CD1 4.03Å; L92-F99 HydrophobicContact CD1-CE1 3.63Å; L92-F99 HydrophobicContact CD1-CZ 3.89Å; L92-F99 HydrophobicContact CD2-CE2 4.3Å; L92-F99 HydrophobicContact CD2-CZ 4.37Å; L92-F99 HydrophobicContact CG-CD1 4.49Å; L92-F99 HydrophobicContact CG-CE1 4.41Å; L92-F99 HydrophobicContact CG-CZ 4.47Å
93S96.6Very high95.6Very high0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-69.1-28.8177.364.10000113.5S18 L89 S90 F91 F99 R100S18-S93 VanDerWaalsContact CB-OG 3.31Å; S18-S93 WeakPolarHBondContact CB-OG 3.45Å; S18-S93 VanDerWaalsContact OG-CB 3.3Å; S18-S93 WeakPolarHBondContact OG-CB 3.36Å; S18-S93 PolarHBondContact OG-OG 2.9Å; L89-S93 WeakPolarHBondContact O-CB 3.41Å; L89-S93 PolarHBondContact O-N 2.97Å; L89-S93 PolarHBondContact O-OG 3.28Å; S90-S93 WeakPolarHBondContact CA-OG 3.21Å; S90-S93 PolarHBondContact O-N 2.86Å; S90-S93 PolarHBondContact O-OG 3.49Å; S90-S93 VanDerWaalsContact O-OG 3.06Å; F91-S93 PolarHBondContact O-N 2.62Å; S93-F99 WeakPolarHBondContact CB-O 3.22Å; S93-R100 VanDerWaalsContact O-CD 3.3Å; S93-R100 WeakPolarHBondContact O-CD 3.42Å; S93-R100 WeakPolarHBondContact O-CG 3.48Å; S93-R100 PolarHBondContact O-NE 2.97Å
94S97Very high95.5Very high2 Ų235.6 Ų35.61%0.01420%0.202CC..Hα-helixtrans-67.2-41.2175.1-62.20000112L15 S18 F19 S90 F91 L92L15-S94 VanDerWaalsContact CD1-O 3.27Å; L15-S94 WeakPolarHBondContact CD1-O 3.46Å; S18-S94 WeakPolarHBondContact CB-OG 3.49Å; S18-S94 PolarHBondContact O-OG 2.85Å; F19-S94 PolarHBondContact N-OG 2.86Å; S90-S94 WeakPolarHBondContact O-CB 3.32Å; S90-S94 PolarHBondContact O-N 2.98Å; S90-S94 PolarHBondContact O-OG 2.66Å; F91-S94 WeakPolarHBondContact O-CB 3.26Å; F91-S94 PolarHBondContact O-N 3.14Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 2.91Å
95F95.3Very high95.4Very high36 Ų3634.8 Ų34.816%0.15820%0.197CC..Hα-helixtrans-99.3-15.4-175.9-68.7-75.9000114.7F19 F91 L92 C617 L620 K624F19-F95 HydrophobicContact CE1-CE2 4.1Å; F19-F95 AromaticContact CE1-CZ 3.88Å; F19-F95 HydrophobicContact CE1-CZ 3.88Å; F19-F95 HydrophobicContact CZ-CE1 4.19Å; F19-F95 HydrophobicContact CZ-CE2 4.28Å; F19-F95 AromaticContact CZ-CZ 3.87Å; F19-F95 HydrophobicContact CZ-CZ 3.87Å; F91-F95 HydrophobicContact CD2-CD2 4.06Å; F91-F95 AromaticContact CD2-CE2 3.96Å; F91-F95 HydrophobicContact CD2-CE2 3.96Å; F91-F95 HydrophobicContact CE1-CD2 4.35Å; F91-F95 AromaticContact CE2-CD2 3.86Å; F91-F95 HydrophobicContact CE2-CD2 3.86Å; F91-F95 AromaticContact CE2-CE2 3.68Å; F91-F95 HydrophobicContact CE2-CE2 3.68Å; F91-F95 HydrophobicContact CG-CD2 4.4Å; F91-F95 HydrophobicContact CZ-CD2 4.03Å; F91-F95 HydrophobicContact CZ-CE2 4.23Å; F91-F95 WeakPolarHBondContact O-CD2 3.25Å; F91-F95 PolarHBondContact O-N 2.97Å; F91-F95 VanDerWaalsContact O-N 3.15Å; L92-F95 PolarHBondContact O-N 3.11Å; F95-C617 HydrophobicContact CZ-CB 4.02Å; F95-L620 HydrophobicContact CD1-CB 4.04Å; F95-L620 HydrophobicContact CD2-CD1 4.44Å; F95-L620 HydrophobicContact CE1-CB 3.54Å; F95-L620 HydrophobicContact CE1-CD1 4.5Å; F95-L620 HydrophobicContact CE2-CD1 4.15Å; F95-L620 HydrophobicContact CZ-CB 3.86Å; F95-L620 HydrophobicContact CZ-CD1 4.2Å; F95-K624 PolarHBondContact O-NZ 2.86Å
96S91.8Very high95.4Very high38 Ų3835.6 Ų35.627%0.26620%0.2SC..  trans-127.3127.1-179.6-178.60000112.6L92 A98 F99L92-S96 WeakPolarHBondContact O-CA 3.21Å; L92-S96 VanDerWaalsContact O-CB 3.26Å; L92-S96 WeakPolarHBondContact O-CB 3.44Å; L92-S96 PolarHBondContact O-N 3.36Å; S96-A98 PolarHBondContact O-N 3.02Å; S96-A98 PolarHBondContact OG-N 3.27Å; S96-F99 PolarHBondContact O-N 3.36Å
97T88.5Confident95.3Very high99 Ų9937.3 Ų37.361%0.60721%0.213SC*.G310 helixtrans-60.3-28.9171.344.90000112.2F99 R100T97-F99 PolarHBondContact O-N 3Å; T97-R100 PolarHBondContact O-N 2.87Å
98A88.6Confident95.4Very high56 Ų5635.5 Ų35.546%0.46320%0.204SC..G310 helixtrans-67.5-23.4-177.700000113S96 T101S96-A98 PolarHBondContact O-N 3.02Å; S96-A98 PolarHBondContact OG-N 3.27Å; A98-T101 WeakPolarHBondContact O-CG2 3.45Å
99F93.1Very high95.4Very high75 Ų7532.3 Ų32.333%0.32918%0.184SC..G310 helixtrans-96.6-0.7178.3-74.2-92.8000113.1L92 S93 S96 T97 T101 V104L92-F99 HydrophobicContact CB-CB 4.07Å; L92-F99 HydrophobicContact CB-CD1 3.78Å; L92-F99 HydrophobicContact CB-CD2 3.97Å; L92-F99 HydrophobicContact CB-CE1 4.17Å; L92-F99 HydrophobicContact CB-CE2 4.33Å; L92-F99 HydrophobicContact CB-CG 3.67Å; L92-F99 HydrophobicContact CB-CZ 4.42Å; L92-F99 HydrophobicContact CD1-CD1 4.03Å; L92-F99 HydrophobicContact CD1-CE1 3.63Å; L92-F99 HydrophobicContact CD1-CZ 3.89Å; L92-F99 HydrophobicContact CD2-CE2 4.3Å; L92-F99 HydrophobicContact CD2-CZ 4.37Å; L92-F99 HydrophobicContact CG-CD1 4.49Å; L92-F99 HydrophobicContact CG-CE1 4.41Å; L92-F99 HydrophobicContact CG-CZ 4.47Å; S93-F99 WeakPolarHBondContact CB-O 3.22Å; S96-F99 PolarHBondContact O-N 3.36Å; T97-F99 PolarHBondContact O-N 3Å; F99-T101 PolarHBondContact O-N 3.04Å; F99-T101 VanDerWaalsContact O-N 3.09Å; F99-V104 HydrophobicContact CD1-CG2 4.39Å; F99-V104 VanDerWaalsContact O-CB 3.24Å; F99-V104 WeakPolarHBondContact O-CB 3.13Å; F99-V104 VanDerWaalsContact O-CG1 3.26Å; F99-V104 WeakPolarHBondContact O-CG1 3.41Å; F99-V104 WeakPolarHBondContact O-CG2 3.47Å
100R92.9Very high95.4Very high29 Ų2932 Ų3211%0.10918%0.183CC..  trans-87.362.8174.7-74.4-172.3-82.4127.3-8.6111.1E11 S93 T97 F105E11-R100 IonicContact OE2-CZ 3.14Å; E11-R100 IonicContact OE2-NH1 3.89Å; E11-R100 PolarHBondContact OE2-NH1 2.79Å; S93-R100 VanDerWaalsContact O-CD 3.3Å; S93-R100 WeakPolarHBondContact O-CD 3.42Å; S93-R100 WeakPolarHBondContact O-CG 3.48Å; S93-R100 PolarHBondContact O-NE 2.97Å; T97-R100 PolarHBondContact O-N 2.87Å; R100-F105 HydrophobicContact CB-CE2 4.17Å; R100-F105 HydrophobicContact CG-CE2 4.42Å; R100-F105 HydrophobicContact CG-CZ 4.42Å
101T92.2Very high95.4Very high8 Ų832.8 Ų32.85%0.04919%0.188CC..BIsolated β-bridgetrans-122157.1-171.3630000111.2A98 F99 V104 F105 S143 T146A98-T101 WeakPolarHBondContact O-CG2 3.45Å; F99-T101 PolarHBondContact O-N 3.04Å; F99-T101 VanDerWaalsContact O-N 3.09Å; T101-V104 PolarHBondContact O-N 2.85Å; T101-V104 VanDerWaalsContact O-N 3.11Å; T101-V104 WeakPolarHBondContact OG1-CG2 3.23Å; T101-F105 WeakPolarHBondContact O-CD2 3.35Å; T101-F105 PolarHBondContact O-N 3.35Å; T101-S143 CarbonylContact C-O 3.58Å; T101-S143 WeakPolarHBondContact CA-O 3.45Å; T101-S143 WeakPolarHBondContact CB-O 3.31Å; T101-T146 HydrophobicContact CG2-CG2 3.85Å; T101-T146 WeakPolarHBondContact CG2-OG1 3.19Å
102G92.2Very high95.4Very high0 Ų029.9 Ų29.90%018%0.175CC..Hα-helixtrans-52.4-47.7-179.500000113V104 F105 L106 S142 S143G102-V104 VanDerWaalsContact C-N 3.35Å; G102-V104 PolarHBondContact O-N 3.37Å; G102-F105 PolarHBondContact O-N 3.35Å; G102-L106 WeakPolarHBondContact O-CB 3.3Å; G102-L106 PolarHBondContact O-N 2.99Å; G102-S142 VanDerWaalsContact N-CB 3.31Å; G102-S143 PolarHBondContact N-O 3.45Å
103P94.6Very high95.4Very high45 Ų4527.1 Ų27.129%0.29216%0.16SC..Hα-helixtrans-61.2-37.7176.5-2837.6000114.1L106 A107 F144 V147P103-L106 PolarHBondContact O-N 3.49Å; P103-A107 WeakPolarHBondContact O-CB 3.36Å; P103-A107 PolarHBondContact O-N 3.15Å; P103-F144 HydrophobicContact CG-CD1 4.03Å; P103-F144 HydrophobicContact CG-CE1 4.48Å; P103-V147 HydrophobicContact CB-CG2 4.43Å; P103-V147 HydrophobicContact CG-CG2 3.95Å
104V96.5Very high95.5Very high17 Ų1727.1 Ų27.110%0.10316%0.16CC..Hα-helixtrans-68.7-44.8177.4174.40000110.6L89 F99 T101 G102 L106 A107 L108L89-V104 HydrophobicContact CB-CG1 4.25Å; F99-V104 HydrophobicContact CD1-CG2 4.39Å; F99-V104 VanDerWaalsContact O-CB 3.24Å; F99-V104 WeakPolarHBondContact O-CB 3.13Å; F99-V104 VanDerWaalsContact O-CG1 3.26Å; F99-V104 WeakPolarHBondContact O-CG1 3.41Å; F99-V104 WeakPolarHBondContact O-CG2 3.47Å; T101-V104 PolarHBondContact O-N 2.85Å; T101-V104 VanDerWaalsContact O-N 3.11Å; T101-V104 WeakPolarHBondContact OG1-CG2 3.23Å; G102-V104 VanDerWaalsContact C-N 3.35Å; G102-V104 PolarHBondContact O-N 3.37Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 2.96Å; V104-A107 PolarHBondContact O-N 3.29Å; V104-L108 HydrophobicContact CG1-CD1 4.13Å; V104-L108 HydrophobicContact CG1-CG 4.44Å; V104-L108 VanDerWaalsContact O-CG 3.32Å; V104-L108 WeakPolarHBondContact O-CG 3.15Å; V104-L108 PolarHBondContact O-N 3.45Å
105F97.7Very high95.5Very high0 Ų027 Ų270%016%0.16CC..Hα-helixtrans-66.1-34.3175.6-77.1-69.6000112.7L14 L17 Y21 R100 T101 G102 L108 W109 A138 I139 S142L14-F105 HydrophobicContact CB-CE2 4.35Å; L14-F105 HydrophobicContact CB-CZ 4.08Å; L14-F105 HydrophobicContact CD2-CD2 4.47Å; L14-F105 HydrophobicContact CD2-CE2 3.84Å; L14-F105 HydrophobicContact CD2-CZ 3.92Å; L14-F105 HydrophobicContact CG-CE2 4.47Å; L17-F105 HydrophobicContact CD2-CD1 4.27Å; L17-F105 HydrophobicContact CD2-CE1 4Å; L17-F105 HydrophobicContact CG-CE1 4.39Å; Y21-F105 HydrophobicContact CE2-CD1 4.48Å; R100-F105 HydrophobicContact CB-CE2 4.17Å; R100-F105 HydrophobicContact CG-CE2 4.42Å; R100-F105 HydrophobicContact CG-CZ 4.42Å; T101-F105 WeakPolarHBondContact O-CD2 3.35Å; T101-F105 PolarHBondContact O-N 3.35Å; G102-F105 PolarHBondContact O-N 3.35Å; F105-L108 HydrophobicContact CD1-CD1 4.24Å; F105-L108 PolarHBondContact O-N 2.91Å; F105-W109 VanDerWaalsContact O-CB 3.28Å; F105-W109 WeakPolarHBondContact O-CB 3.41Å; F105-W109 PolarHBondContact O-N 2.81Å; F105-A138 HydrophobicContact CD1-CB 4.06Å; F105-A138 HydrophobicContact CE1-CB 4.41Å; F105-A138 HydrophobicContact CG-CB 4.23Å; F105-I139 HydrophobicContact CB-CG1 4Å; F105-S142 WeakPolarHBondContact CD2-OG 3.36Å; F105-S142 WeakPolarHBondContact CE2-OG 3.41Å
106L97.5Very high95.6Very high74 Ų7425.9 Ų25.939%0.38716%0.155SC..Hα-helixtrans-63.6-46.7172.8176.963.7000110.6G102 P103 V104 W109 V110 I139G102-L106 WeakPolarHBondContact O-CB 3.3Å; G102-L106 PolarHBondContact O-N 2.99Å; P103-L106 PolarHBondContact O-N 3.49Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 2.96Å; L106-W109 HydrophobicContact CD1-CE3 4.45Å; L106-W109 PolarHBondContact O-N 2.92Å; L106-V110 HydrophobicContact CD1-CG2 4.17Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.41Å; L106-I139 HydrophobicContact CB-CD1 4.05Å; L106-I139 HydrophobicContact CB-CG1 4.28Å; L106-I139 HydrophobicContact CB-CG2 4.46Å; L106-I139 HydrophobicContact CD1-CD1 3.81Å
107A98Very high95.8Very high35 Ų3527.1 Ų27.129%0.28916%0.156SC..Hα-helixtrans-60.1-48.9175.600000111.4L89 P103 V104 W109 V110 L111L89-A107 HydrophobicContact CD1-CB 3.79Å; P103-A107 WeakPolarHBondContact O-CB 3.36Å; P103-A107 PolarHBondContact O-N 3.15Å; V104-A107 PolarHBondContact O-N 3.29Å; A107-W109 VanDerWaalsContact C-N 3.3Å; A107-W109 PolarHBondContact O-N 2.91Å; A107-V110 PolarHBondContact O-N 2.87Å; A107-L111 WeakPolarHBondContact O-CB 3.48Å; A107-L111 WeakPolarHBondContact O-CD1 3.33Å; A107-L111 WeakPolarHBondContact O-CG 3.34Å; A107-L111 PolarHBondContact O-N 3.35Å
108L98.7Very high96.1Very high0 Ų022.4 Ų22.40%013%0.127CC..Hα-helixtrans-56.1-44.5176.3-72.2171.9000112Y21 F25 G86 L89 V104 F105 Y112Y21-L108 HydrophobicContact CD1-CB 4.28Å; Y21-L108 HydrophobicContact CD2-CB 4.34Å; Y21-L108 HydrophobicContact CD2-CD1 4.08Å; Y21-L108 HydrophobicContact CE1-CB 4.2Å; Y21-L108 HydrophobicContact CE2-CB 4.26Å; Y21-L108 HydrophobicContact CG-CB 4.35Å; Y21-L108 HydrophobicContact CG-CD1 4.28Å; F25-L108 HydrophobicContact CD2-CD2 4.41Å; F25-L108 HydrophobicContact CE2-CD2 3.83Å; G86-L108 WeakPolarHBondContact O-CD2 3.38Å; L89-L108 HydrophobicContact CB-CD2 3.78Å; L89-L108 HydrophobicContact CB-CG 4.24Å; V104-L108 HydrophobicContact CG1-CD1 4.13Å; V104-L108 HydrophobicContact CG1-CG 4.44Å; V104-L108 VanDerWaalsContact O-CG 3.32Å; V104-L108 WeakPolarHBondContact O-CG 3.15Å; V104-L108 PolarHBondContact O-N 3.45Å; F105-L108 HydrophobicContact CD1-CD1 4.24Å; F105-L108 PolarHBondContact O-N 2.91Å; L108-Y112 WeakPolarHBondContact O-CB 3.37Å; L108-Y112 PolarHBondContact O-N 3.5Å
109W98.6Very high96.4Very high10 Ų1019.8 Ų19.84%0.03811%0.105CC..Hα-helixtrans-64.4-47.4178.6-179.584.3000112.2L62 F105 L106 A107 L111 Y112 L113 L132 F136 I139 Y425 I427L62-W109 HydrophobicContact CD2-CH2 4.38Å; L62-W109 HydrophobicContact CD2-CZ3 3.86Å; F105-W109 VanDerWaalsContact O-CB 3.28Å; F105-W109 WeakPolarHBondContact O-CB 3.41Å; F105-W109 PolarHBondContact O-N 2.81Å; L106-W109 HydrophobicContact CD1-CE3 4.45Å; L106-W109 PolarHBondContact O-N 2.92Å; A107-W109 VanDerWaalsContact C-N 3.3Å; A107-W109 PolarHBondContact O-N 2.91Å; W109-L111 PolarHBondContact O-N 3.32Å; W109-Y112 PolarHBondContact O-N 3.43Å; W109-L113 HydrophobicContact CH2-CD2 3.79Å; W109-L113 HydrophobicContact CZ2-CD2 4.18Å; W109-L113 HydrophobicContact CZ3-CD2 4.06Å; W109-L113 VanDerWaalsContact O-CB 3.27Å; W109-L113 WeakPolarHBondContact O-CB 3.36Å; W109-L113 PolarHBondContact O-N 3.32Å; W109-L132 HydrophobicContact CG-CD2 4.37Å; W109-L132 PolarHBondContact NE1-O 3.46Å; W109-F136 HydrophobicContact CD2-CD2 4.21Å; W109-F136 AromaticContact CE2-CD2 3.8Å; W109-F136 HydrophobicContact CH2-CD2 4.25Å; W109-F136 HydrophobicContact CH2-CE2 4.45Å; W109-F136 AromaticContact CZ2-CD2 3.82Å; W109-F136 HydrophobicContact CZ2-CD2 3.82Å; W109-F136 HydrophobicContact CZ2-CE2 4.42Å; W109-I139 HydrophobicContact CB-CD1 4.2Å; W109-I139 HydrophobicContact CG-CD1 4.38Å; W109-Y425 HydrophobicContact CH2-CD1 4.31Å; W109-Y425 VanDerWaalsContact CZ2-O 3.28Å; W109-Y425 WeakPolarHBondContact CZ2-O 3.41Å; W109-I427 HydrophobicContact CH2-CD1 4.39Å; W109-I427 HydrophobicContact CH2-CG1 4.42Å; W109-I427 HydrophobicContact CZ2-CD1 4.18Å; W109-I427 HydrophobicContact CZ2-CG1 3.74Å
110V98.6Very high96.4Very high28 Ų2819.1 Ų19.117%0.1710%0.103CC..Hα-helixtrans-62.6-43.6177.9171.60000111.4L62 V64 L106 A107 S114L62-V110 HydrophobicContact CD1-CG1 4.34Å; L62-V110 HydrophobicContact CD2-CG2 4.25Å; V64-V110 HydrophobicContact CG2-CG1 3.58Å; L106-V110 HydrophobicContact CD1-CG2 4.17Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.41Å; A107-V110 PolarHBondContact O-N 2.87Å; V110-S114 WeakPolarHBondContact O-CB 3.48Å; V110-S114 PolarHBondContact O-N 2.89Å; V110-S114 PolarHBondContact O-OG 2.96Å
111L98.7Very high96.5Very high17 Ų1719.5 Ų19.59%0.08911%0.108CC..Hα-helixtrans-62.9-44.6178.4-69.1169.7000111F25 V82 V85 L89 A107 W109 S114 A115F25-L111 HydrophobicContact CE1-CB 4.21Å; F25-L111 HydrophobicContact CZ-CB 3.81Å; V82-L111 HydrophobicContact CB-CD2 4.12Å; V82-L111 HydrophobicContact CG1-CB 3.95Å; V82-L111 HydrophobicContact CG1-CD2 3.84Å; V82-L111 WeakPolarHBondContact CG1-O 3.43Å; V82-L111 HydrophobicContact CG2-CD2 3.98Å; V85-L111 HydrophobicContact CB-CD1 4.16Å; V85-L111 HydrophobicContact CG1-CD1 3.71Å; L89-L111 HydrophobicContact CD1-CD1 4.14Å; A107-L111 WeakPolarHBondContact O-CB 3.48Å; A107-L111 WeakPolarHBondContact O-CD1 3.33Å; A107-L111 WeakPolarHBondContact O-CG 3.34Å; A107-L111 PolarHBondContact O-N 3.35Å; W109-L111 PolarHBondContact O-N 3.32Å; L111-S114 WeakPolarHBondContact O-CB 3.43Å; L111-S114 PolarHBondContact O-N 3.07Å; L111-A115 PolarHBondContact O-N 3.12Å
112Y98.7Very high96.7Very high1 Ų119.1 Ų19.10%0.00411%0.106CC..Hα-helixtrans-70.9-38.6-179.5-160.2-96.9000112.3Y21 A24 F25 L108 W109 S114 A115 L116 D128 L131 L132Y21-Y112 HydrophobicContact CE1-CG 4.19Å; A24-Y112 HydrophobicContact CB-CE2 3.72Å; F25-Y112 HydrophobicContact CD1-CD2 4.14Å; F25-Y112 HydrophobicContact CD2-CD2 4.43Å; F25-Y112 AromaticContact CE1-CD2 3.77Å; F25-Y112 HydrophobicContact CE1-CD2 3.77Å; F25-Y112 HydrophobicContact CE1-CG 4.5Å; F25-Y112 HydrophobicContact CE2-CD2 4.07Å; F25-Y112 HydrophobicContact CG-CD2 4.46Å; F25-Y112 AromaticContact CZ-CD2 3.74Å; F25-Y112 HydrophobicContact CZ-CD2 3.74Å; F25-Y112 HydrophobicContact CZ-CG 4.21Å; L108-Y112 WeakPolarHBondContact O-CB 3.37Å; L108-Y112 PolarHBondContact O-N 3.5Å; W109-Y112 PolarHBondContact O-N 3.43Å; Y112-S114 VanDerWaalsContact C-N 3.26Å; Y112-S114 PolarHBondContact O-N 3.31Å; Y112-A115 PolarHBondContact O-N 2.85Å; Y112-L116 WeakPolarHBondContact O-CB 3.21Å; Y112-L116 PolarHBondContact O-N 3.31Å; Y112-D128 HydrophobicContact CE1-CB 4.14Å; Y112-D128 PolarHBondContact OH-OD1 3.09Å; Y112-L131 HydrophobicContact CD1-CD2 4.26Å; Y112-L131 HydrophobicContact CD2-CD2 4.36Å; Y112-L131 HydrophobicContact CE1-CB 4.44Å; Y112-L131 HydrophobicContact CE1-CD2 3.86Å; Y112-L131 HydrophobicContact CE1-CG 4.38Å; Y112-L131 HydrophobicContact CE2-CD2 3.99Å; Y112-L131 HydrophobicContact CG-CD2 4.48Å; Y112-L132 HydrophobicContact CD1-CD2 3.76Å; Y112-L132 HydrophobicContact CD1-CG 3.98Å; Y112-L132 HydrophobicContact CG-CD2 4.43Å
113L98.2Very high96.9Very high0 Ų019.2 Ų19.20%011%0.107CC..Hα-helixtrans-58.8-41.6172.7176.967.9000111L62 W109 L116 K117 L132 Y425 Y426L62-L113 HydrophobicContact CB-CD2 4.42Å; L62-L113 HydrophobicContact CD2-CD2 3.89Å; L62-L113 HydrophobicContact CG-CD2 4.19Å; W109-L113 HydrophobicContact CH2-CD2 3.79Å; W109-L113 HydrophobicContact CZ2-CD2 4.18Å; W109-L113 HydrophobicContact CZ3-CD2 4.06Å; W109-L113 VanDerWaalsContact O-CB 3.27Å; W109-L113 WeakPolarHBondContact O-CB 3.36Å; W109-L113 PolarHBondContact O-N 3.32Å; L113-L116 PolarHBondContact O-N 3.22Å; L113-K117 HydrophobicContact CD1-CG 4.47Å; L113-K117 HydrophobicContact CG-CD 4.46Å; L113-K117 WeakPolarHBondContact O-CG 3.44Å; L113-K117 PolarHBondContact O-N 2.85Å; L113-L132 HydrophobicContact CB-CD1 4.42Å; L113-L132 HydrophobicContact CB-CD2 4.04Å; L113-L132 HydrophobicContact CD1-CD1 3.87Å; L113-Y425 HydrophobicContact CD2-CD1 4.48Å; L113-Y426 HydrophobicContact CD1-CD2 3.66Å; L113-Y426 HydrophobicContact CD1-CE2 4.44Å; L113-Y426 HydrophobicContact CD1-CG 4.48Å
114S97.9Very high96.6Very high0 Ų026.9 Ų26.90%013%0.13CC..Hα-helixtrans-62.8-45.3177.9-57.40000111.2N63 V64 V110 L111 Y112 K117 V118N63-S114 WeakPolarHBondContact OD1-CB 3.17Å; V64-S114 WeakPolarHBondContact CG2-OG 3.34Å; V64-S114 PolarHBondContact N-OG 2.91Å; V110-S114 WeakPolarHBondContact O-CB 3.48Å; V110-S114 PolarHBondContact O-N 2.89Å; V110-S114 PolarHBondContact O-OG 2.96Å; L111-S114 WeakPolarHBondContact O-CB 3.43Å; L111-S114 PolarHBondContact O-N 3.07Å; Y112-S114 VanDerWaalsContact C-N 3.26Å; Y112-S114 PolarHBondContact O-N 3.31Å; S114-K117 PolarHBondContact O-N 2.68Å; S114-V118 PolarHBondContact O-N 3.01Å
115A98Very high96.5Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-61.7-45.2174.300000112.1L28 L79 L111 Y112 K117 V118 G119 L123L28-A115 HydrophobicContact CD2-CB 3.84Å; L79-A115 HydrophobicContact CD1-CB 3.97Å; L111-A115 PolarHBondContact O-N 3.12Å; Y112-A115 PolarHBondContact O-N 2.85Å; A115-K117 PolarHBondContact O-N 3.08Å; A115-V118 WeakPolarHBondContact O-CG2 3.42Å; A115-V118 PolarHBondContact O-N 3.41Å; A115-G119 WeakPolarHBondContact O-CA 3.37Å; A115-G119 PolarHBondContact O-N 3.32Å; A115-L123 HydrophobicContact CB-CD1 4.26Å; A115-L123 VanDerWaalsContact O-CD1 3.28Å; A115-L123 WeakPolarHBondContact O-CD1 3.3Å
116L97.1Very high96.4Very high12 Ų1229 Ų296%0.06314%0.138CC..Hα-helixtrans-60.1-44.9179.3-170.1153.3000111.8Y112 L113 V118 G119 L123 D128 I129 L132 Y426Y112-L116 WeakPolarHBondContact O-CB 3.21Å; Y112-L116 PolarHBondContact O-N 3.31Å; L113-L116 PolarHBondContact O-N 3.22Å; L116-V118 VanDerWaalsContact C-N 3.27Å; L116-V118 PolarHBondContact O-N 3.23Å; L116-G119 PolarHBondContact O-N 3.36Å; L116-G119 VanDerWaalsContact O-N 3.16Å; L116-L123 HydrophobicContact CG-CB 4.49Å; L116-D128 HydrophobicContact CD1-CB 3.96Å; L116-I129 HydrophobicContact CD1-CG2 3.92Å; L116-L132 HydrophobicContact CB-CD1 4.47Å; L116-L132 HydrophobicContact CD1-CD1 3.69Å; L116-Y426 HydrophobicContact CD2-CD1 4.41Å; L116-Y426 HydrophobicContact CD2-CD2 4.19Å; L116-Y426 HydrophobicContact CD2-CE1 3.91Å; L116-Y426 HydrophobicContact CD2-CE2 3.66Å; L116-Y426 VanDerWaalsContact CD2-CZ 3.5Å
117K95.6Very high96.3Very high64 Ų6425.7 Ų25.728%0.27812%0.121SC..Hα-helixtrans-62.9-29.2-179.1-78-175.6176.7-178.40114L62 N63 L113 S114 A115 P424L62-K117 WeakPolarHBondContact O-CD 3.31Å; L62-K117 WeakPolarHBondContact O-CE 3.5Å; L62-K117 PolarHBondContact O-NZ 3.04Å; N63-K117 HydrophobicContact CB-CD 4.29Å; L113-K117 HydrophobicContact CD1-CG 4.47Å; L113-K117 HydrophobicContact CG-CD 4.46Å; L113-K117 WeakPolarHBondContact O-CG 3.44Å; L113-K117 PolarHBondContact O-N 2.85Å; S114-K117 PolarHBondContact O-N 2.68Å; A115-K117 PolarHBondContact O-N 3.08Å; K117-P424 WeakPolarHBondContact CE-O 3.26Å; K117-P424 PolarHBondContact NZ-O 3.46Å
118V95.4Very high96.3Very high0 Ų024 Ų240%011%0.107CC..Hα-helixtrans-99.4-7.9176.9-54.80000113.2I44 L47 L49 N63 V65 L79 S114 A115 L116 Q120I44-V118 HydrophobicContact CD1-CB 3.75Å; I44-V118 HydrophobicContact CD1-CG1 4.14Å; I44-V118 HydrophobicContact CD1-CG2 3.75Å; I44-V118 HydrophobicContact CG1-CB 4.22Å; L47-V118 HydrophobicContact CD1-CB 4.18Å; L49-V118 HydrophobicContact CD1-CG1 4.14Å; L49-V118 HydrophobicContact CD2-CG1 4.09Å; N63-V118 VanDerWaalsContact ND2-CG1 3.27Å; N63-V118 WeakPolarHBondContact ND2-CG1 3.44Å; V65-V118 HydrophobicContact CB-CG1 4.25Å; V65-V118 HydrophobicContact CG1-CG1 4.46Å; V65-V118 HydrophobicContact CG2-CG1 4.3Å; V65-V118 HydrophobicContact CG2-CG2 4.35Å; L79-V118 HydrophobicContact CD1-CG2 3.86Å; L79-V118 HydrophobicContact CD2-CG2 4.04Å; L79-V118 HydrophobicContact CG-CG2 4.48Å; S114-V118 PolarHBondContact O-N 3.01Å; A115-V118 WeakPolarHBondContact O-CG2 3.42Å; A115-V118 PolarHBondContact O-N 3.41Å; L116-V118 VanDerWaalsContact C-N 3.27Å; L116-V118 PolarHBondContact O-N 3.23Å; V118-Q120 VanDerWaalsContact C-N 3.29Å; V118-Q120 PolarHBondContact O-N 2.88Å
119G94.6Very high96.2Very high0 Ų025.2 Ų25.20%011%0.113CC..  trans-79.3-4.1-170.500000116.1Y36 A115 L116 F122 L123Y36-G119 VanDerWaalsContact CE1-O 3.3Å; Y36-G119 WeakPolarHBondContact CE1-O 3.45Å; Y36-G119 WeakPolarHBondContact OH-CA 3.49Å; Y36-G119 PolarHBondContact OH-O 3.25Å; A115-G119 WeakPolarHBondContact O-CA 3.37Å; A115-G119 PolarHBondContact O-N 3.32Å; L116-G119 PolarHBondContact O-N 3.36Å; L116-G119 VanDerWaalsContact O-N 3.16Å; G119-F122 PolarHBondContact O-N 3.39Å; G119-L123 PolarHBondContact O-N 2.83Å
120Q93.5Very high96.2Very high61 Ų6124.8 Ų24.829%0.28511%0.111SC..G310 helixtrans48.1-140.2175.7-54.1179.123.400112.2L47 V118 F122 L123 W124L47-Q120 HydrophobicContact CD1-CG 4.09Å; L47-Q120 HydrophobicContact CD2-CG 4.11Å; L47-Q120 HydrophobicContact CG-CG 4.49Å; L47-Q120 VanDerWaalsContact CG-NE2 3.32Å; V118-Q120 VanDerWaalsContact C-N 3.29Å; V118-Q120 PolarHBondContact O-N 2.88Å; Q120-F122 PolarHBondContact O-N 3.07Å; Q120-L123 PolarHBondContact O-N 3.22Å; Q120-W124 PolarHBondContact O-N 3.14Å
121T94.6Very high96.2Very high37 Ų3723.4 Ų23.423%0.22710%0.103CC..G310 helixtrans-58.4-33-178.9-161.80000112.9L123 W124 Q487 W501T121-L123 VanDerWaalsContact C-N 3.3Å; T121-L123 PolarHBondContact O-N 2.92Å; T121-W124 PolarHBondContact O-N 3.38Å; T121-Q487 HydrophobicContact CG2-CG 4.4Å; T121-Q487 PolarHBondContact O-NE2 3.46Å; T121-Q487 PolarHBondContact OG1-NE2 3.48Å; T121-Q487 PolarHBondContact OG1-OE1 3.31Å; T121-Q487 VanDerWaalsContact OG1-OE1 3.12Å; T121-W501 HydrophobicContact CG2-CB 4.26Å; T121-W501 HydrophobicContact CG2-CG 3.92Å
122F97.2Very high96.2Very high0 Ų022.6 Ų22.60%010%0.099CC..G310 helixtrans-78.1-7.7-175.5-65.5-68.7000113.9L35 Y36 V41 T42 G119 Q120 F125 R483 L484 Q487 W501L35-F122 HydrophobicContact CD1-CB 4.2Å; L35-F122 HydrophobicContact CD1-CD1 4.43Å; L35-F122 HydrophobicContact CD1-CG 4.17Å; L35-F122 HydrophobicContact CD2-CD1 3.93Å; L35-F122 HydrophobicContact CD2-CD2 3.89Å; L35-F122 HydrophobicContact CD2-CE1 3.82Å; L35-F122 HydrophobicContact CD2-CE2 3.77Å; L35-F122 HydrophobicContact CD2-CG 3.98Å; L35-F122 HydrophobicContact CD2-CZ 3.74Å; Y36-F122 VanDerWaalsContact OH-CB 3.28Å; Y36-F122 WeakPolarHBondContact OH-CB 3.5Å; V41-F122 HydrophobicContact CB-CE2 4.3Å; V41-F122 HydrophobicContact CB-CZ 4.44Å; V41-F122 HydrophobicContact CG1-CE2 4.12Å; V41-F122 HydrophobicContact CG1-CZ 4.07Å; T42-F122 HydrophobicContact CG2-CD2 4.3Å; T42-F122 HydrophobicContact CG2-CE2 3.81Å; T42-F122 WeakPolarHBondContact OG1-CD2 3.49Å; T42-F122 WeakPolarHBondContact OG1-CE2 3.43Å; G119-F122 PolarHBondContact O-N 3.39Å; Q120-F122 PolarHBondContact O-N 3.07Å; F122-F125 WeakPolarHBondContact O-CE2 3.49Å; F122-R483 HydrophobicContact CB-CB 4.24Å; F122-R483 HydrophobicContact CD1-CB 3.99Å; F122-R483 WeakPolarHBondContact O-CD 3.35Å; F122-R483 PolarHBondContact O-NH1 2.9Å; F122-L484 HydrophobicContact CE1-CD1 4.04Å; F122-L484 HydrophobicContact CZ-CD1 4.19Å; F122-Q487 HydrophobicContact CD1-CB 4.23Å; F122-Q487 HydrophobicContact CD1-CG 3.51Å; F122-Q487 HydrophobicContact CE1-CB 3.82Å; F122-Q487 HydrophobicContact CE1-CG 3.6Å; F122-Q487 HydrophobicContact CG-CG 4.49Å; F122-W501 HydrophobicContact CZ-CD2 4.22Å; F122-W501 AromaticContact CZ-CE3 3.94Å; F122-W501 HydrophobicContact CZ-CE3 3.94Å
123L95.5Very high96.2Very high3 Ų322.7 Ų22.72%0.01610%0.099CC..G310 helixtrans-120.216.5169.7-85.1165.8000112.8L28 A115 L116 G119 Q120 T121 F125 D128 R483L28-L123 HydrophobicContact CD1-CD1 3.96Å; L28-L123 HydrophobicContact CD1-CG 4.39Å; L28-L123 HydrophobicContact CD2-CD1 3.92Å; A115-L123 HydrophobicContact CB-CD1 4.26Å; A115-L123 VanDerWaalsContact O-CD1 3.28Å; A115-L123 WeakPolarHBondContact O-CD1 3.3Å; L116-L123 HydrophobicContact CG-CB 4.49Å; G119-L123 PolarHBondContact O-N 2.83Å; Q120-L123 PolarHBondContact O-N 3.22Å; T121-L123 VanDerWaalsContact C-N 3.3Å; T121-L123 PolarHBondContact O-N 2.92Å; L123-F125 PolarHBondContact O-N 3.33Å; L123-D128 HydrophobicContact CD2-CB 4.39Å; L123-R483 VanDerWaalsContact CD2-NH2 3.33Å
124W88.9Confident96.2Very high206 Ų20622.7 Ų22.778%0.7810%0.099SC*.  trans-88.541.6-179.1-168.165.3000113Q120 T121Q120-W124 PolarHBondContact O-N 3.14Å; T121-W124 PolarHBondContact O-N 3.38Å
125F94.6Very high96.2Very high10 Ų1022.7 Ų22.74%0.04410%0.099CC..  trans-110.3151.1-177.1-56.1-88.9000113F122 L123 W127 D128 I129 Q481 R483 W486 Q487 F490F122-F125 WeakPolarHBondContact O-CE2 3.49Å; L123-F125 PolarHBondContact O-N 3.33Å; F125-W127 VanDerWaalsContact C-N 3.28Å; F125-W127 HydrophobicContact CB-CD2 3.84Å; F125-W127 HydrophobicContact CB-CE3 4.42Å; F125-W127 HydrophobicContact CB-CG 4.38Å; F125-W127 HydrophobicContact CB-CH2 3.95Å; F125-W127 HydrophobicContact CB-CZ2 3.29Å; F125-W127 HydrophobicContact CB-CZ3 4.46Å; F125-W127 AromaticContact CD1-CH2 3.46Å; F125-W127 HydrophobicContact CD1-CH2 3.46Å; F125-W127 VanDerWaalsContact CD1-CH2 3.46Å; F125-W127 AromaticContact CD1-CZ2 3.2Å; F125-W127 HydrophobicContact CD1-CZ2 3.2Å; F125-W127 HydrophobicContact CD1-CZ3 4.5Å; F125-W127 HydrophobicContact CD2-CZ2 4.03Å; F125-W127 HydrophobicContact CE1-CH2 4.15Å; F125-W127 AromaticContact CE1-CZ2 3.9Å; F125-W127 HydrophobicContact CE1-CZ2 3.9Å; F125-W127 AromaticContact CG-CE2 3.68Å; F125-W127 AromaticContact CG-CH2 3.95Å; F125-W127 HydrophobicContact CG-CH2 3.95Å; F125-W127 AromaticContact CG-CZ2 3.25Å; F125-W127 HydrophobicContact CG-CZ2 3.25Å; F125-W127 AromaticContact CG-NE1 3.98Å; F125-W127 PolarHBondContact O-N 2.79Å; F125-D128 WeakPolarHBondContact CB-OD2 3.23Å; F125-D128 WeakPolarHBondContact CD2-OD2 3.36Å; F125-D128 WeakPolarHBondContact O-CB 3.43Å; F125-D128 PolarHBondContact O-N 2.77Å; F125-D128 VanDerWaalsContact O-N 3.12Å; F125-I129 PolarHBondContact O-N 3.15Å; F125-Q481 VanDerWaalsContact CE2-NE2 3.3Å; F125-R483 HydrophobicContact CE2-CG 4.28Å; F125-W486 HydrophobicContact CE1-CB 3.87Å; F125-W486 HydrophobicContact CE1-CD2 4.41Å; F125-W486 HydrophobicContact CE1-CE3 4.13Å; F125-W486 HydrophobicContact CE1-CG 4.37Å; F125-W486 HydrophobicContact CZ-CB 3.83Å; F125-Q487 HydrophobicContact CZ-CG 4.28Å; F125-F490 HydrophobicContact CD1-CE2 4.33Å; F125-F490 HydrophobicContact CE1-CD2 4.46Å; F125-F490 AromaticContact CE1-CE2 3.83Å; F125-F490 HydrophobicContact CE1-CE2 3.83Å
126Q94.6Very high96.2Very high50 Ų5024.5 Ų24.523%0.23411%0.107CC..Hα-helixtrans-67.1-25-173.6-70.9-168.1-59.600114.4I129 L130 S430 G432 L433Q126-I129 HydrophobicContact CG-CD1 4.44Å; Q126-I129 WeakPolarHBondContact O-CG1 3.46Å; Q126-L130 VanDerWaalsContact O-CB 3.31Å; Q126-L130 WeakPolarHBondContact O-CB 3.49Å; Q126-L130 PolarHBondContact O-N 3.39Å; Q126-S430 PolarHBondContact NE2-O 3.43Å; Q126-G432 VanDerWaalsContact NE2-N 3.12Å; Q126-L433 HydrophobicContact CB-CD2 4.19Å
127W95.9Very high96.3Very high6 Ų624.1 Ų24.12%0.02311%0.105CC..Hα-helixtrans-78.1-27.6175.150.275.5000112.7F125 L130 L131 N265 F266 F267 Q481 W486F125-W127 VanDerWaalsContact C-N 3.28Å; F125-W127 HydrophobicContact CB-CD2 3.84Å; F125-W127 HydrophobicContact CB-CE3 4.42Å; F125-W127 HydrophobicContact CB-CG 4.38Å; F125-W127 HydrophobicContact CB-CH2 3.95Å; F125-W127 HydrophobicContact CB-CZ2 3.29Å; F125-W127 HydrophobicContact CB-CZ3 4.46Å; F125-W127 AromaticContact CD1-CH2 3.46Å; F125-W127 HydrophobicContact CD1-CH2 3.46Å; F125-W127 VanDerWaalsContact CD1-CH2 3.46Å; F125-W127 AromaticContact CD1-CZ2 3.2Å; F125-W127 HydrophobicContact CD1-CZ2 3.2Å; F125-W127 HydrophobicContact CD1-CZ3 4.5Å; F125-W127 HydrophobicContact CD2-CZ2 4.03Å; F125-W127 HydrophobicContact CE1-CH2 4.15Å; F125-W127 AromaticContact CE1-CZ2 3.9Å; F125-W127 HydrophobicContact CE1-CZ2 3.9Å; F125-W127 AromaticContact CG-CE2 3.68Å; F125-W127 AromaticContact CG-CH2 3.95Å; F125-W127 HydrophobicContact CG-CH2 3.95Å; F125-W127 AromaticContact CG-CZ2 3.25Å; F125-W127 HydrophobicContact CG-CZ2 3.25Å; F125-W127 AromaticContact CG-NE1 3.98Å; F125-W127 PolarHBondContact O-N 2.79Å; W127-L130 PolarHBondContact O-N 2.91Å; W127-L131 WeakPolarHBondContact O-CB 3.26Å; W127-L131 PolarHBondContact O-N 2.94Å; W127-N265 VanDerWaalsContact CD2-ND2 3.31Å; W127-N265 VanDerWaalsContact CG-OD1 3.28Å; W127-N265 WeakPolarHBondContact CH2-ND2 3.32Å; W127-N265 WeakPolarHBondContact CZ2-ND2 3.43Å; W127-N265 PolarHBondContact NE1-ND2 3.01Å; W127-F266 HydrophobicContact CB-CE2 4.04Å; W127-F266 AromaticContact CD1-CE2 3.84Å; W127-F266 AromaticContact CD1-CZ 3.52Å; W127-F266 HydrophobicContact CG-CE2 4.31Å; W127-F266 HydrophobicContact CG-CZ 4.38Å; W127-F267 HydrophobicContact CB-CB 3.73Å; W127-F267 HydrophobicContact CB-CD2 3.73Å; W127-F267 HydrophobicContact CB-CG 4.14Å; W127-F267 HydrophobicContact CD2-CB 4.48Å; W127-F267 HydrophobicContact CE3-CB 4.23Å; W127-F267 HydrophobicContact CG-CB 4.31Å; W127-Q481 VanDerWaalsContact CE2-NE2 3.32Å; W127-Q481 HydrophobicContact CZ2-CG 4.39Å; W127-W486 AromaticContact CH2-CD2 3.97Å; W127-W486 HydrophobicContact CH2-CD2 3.97Å; W127-W486 AromaticContact CH2-CE3 3.67Å; W127-W486 HydrophobicContact CH2-CE3 3.67Å; W127-W486 AromaticContact CH2-CH2 3.59Å; W127-W486 HydrophobicContact CH2-CH2 3.59Å; W127-W486 AromaticContact CH2-CZ2 3.9Å; W127-W486 HydrophobicContact CH2-CZ2 3.9Å; W127-W486 AromaticContact CH2-CZ3 3.48Å; W127-W486 HydrophobicContact CH2-CZ3 3.48Å; W127-W486 VanDerWaalsContact CH2-CZ3 3.48Å; W127-W486 HydrophobicContact CZ2-CD2 4.42Å; W127-W486 HydrophobicContact CZ2-CE3 4.45Å; W127-W486 AromaticContact CZ3-CH2 3.85Å; W127-W486 HydrophobicContact CZ3-CH2 3.85Å; W127-W486 HydrophobicContact CZ3-CZ2 4.37Å; W127-W486 AromaticContact CZ3-CZ3 3.99Å; W127-W486 HydrophobicContact CZ3-CZ3 3.99Å
128D97.8Very high96.3Very high0 Ų021 Ų210%09%0.092CC..Hα-helixtrans-67.2-42.5175.3-60.6-46.6000109.2Y112 L116 L123 F125 L131 L132 R483Y112-D128 HydrophobicContact CE1-CB 4.14Å; Y112-D128 PolarHBondContact OH-OD1 3.09Å; L116-D128 HydrophobicContact CD1-CB 3.96Å; L123-D128 HydrophobicContact CD2-CB 4.39Å; F125-D128 WeakPolarHBondContact CB-OD2 3.23Å; F125-D128 WeakPolarHBondContact CD2-OD2 3.36Å; F125-D128 WeakPolarHBondContact O-CB 3.43Å; F125-D128 PolarHBondContact O-N 2.77Å; F125-D128 VanDerWaalsContact O-N 3.12Å; D128-L131 PolarHBondContact O-N 3.39Å; D128-L132 PolarHBondContact O-N 3.2Å; D128-R483 IonicContact OD1-CZ 3.24Å; D128-R483 IonicContact OD1-NH1 2.66Å; D128-R483 IonicContact OD1-NH2 3.13Å; D128-R483 PolarHBondContact OD1-NH2 3.49Å; D128-R483 IonicContact OD2-CZ 3.99Å; D128-R483 IonicContact OD2-NH1 2.76Å; D128-R483 PolarHBondContact OD2-NH1 3.44Å; D128-R483 IonicContact OD2-NH2 2.72Å
129I97.1Very high96.4Very high25 Ų2521.7 Ų21.713%0.12810%0.095CC..Hα-helixtrans-73-34.5174.766.9-175.7000113L116 F125 Q126 L131 L132 E133 Y426 N429L116-I129 HydrophobicContact CD1-CG2 3.92Å; F125-I129 PolarHBondContact O-N 3.15Å; Q126-I129 HydrophobicContact CG-CD1 4.44Å; Q126-I129 WeakPolarHBondContact O-CG1 3.46Å; I129-L131 VanDerWaalsContact C-N 3.28Å; I129-L131 PolarHBondContact O-N 3.31Å; I129-L132 PolarHBondContact O-N 2.97Å; I129-E133 PolarHBondContact O-N 3.4Å; I129-E133 VanDerWaalsContact O-N 3.08Å; I129-Y426 HydrophobicContact CB-CD1 4.21Å; I129-Y426 HydrophobicContact CG2-CD1 3.49Å; I129-Y426 VanDerWaalsContact CG2-CD1 3.49Å; I129-Y426 HydrophobicContact CG2-CE1 3.82Å; I129-Y426 HydrophobicContact CG2-CG 4.48Å; I129-N429 HydrophobicContact CD1-CB 3.79Å; I129-N429 HydrophobicContact CG1-CB 4.27Å
130L98.2Very high96.3Very high0 Ų022.7 Ų22.70%010%0.1CC..Hα-helixtrans-63.6-36.7173.7-178.264.6000111.4Q126 W127 L132 E133 S134 L167 L171 F267 L270 L274 Y431Q126-L130 VanDerWaalsContact O-CB 3.31Å; Q126-L130 WeakPolarHBondContact O-CB 3.49Å; Q126-L130 PolarHBondContact O-N 3.39Å; W127-L130 PolarHBondContact O-N 2.91Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-E133 PolarHBondContact O-N 3.17Å; L130-S134 VanDerWaalsContact O-CB 3.29Å; L130-S134 WeakPolarHBondContact O-CB 3.34Å; L130-S134 PolarHBondContact O-N 3.34Å; L130-S134 PolarHBondContact O-OG 3.24Å; L130-L167 HydrophobicContact CD1-CD1 3.85Å; L130-L167 HydrophobicContact CD1-CD2 4.11Å; L130-L167 HydrophobicContact CD1-CG 4.1Å; L130-L171 HydrophobicContact CD1-CD2 4.29Å; L130-L171 HydrophobicContact CD2-CD1 4.3Å; L130-L171 HydrophobicContact CD2-CD2 3.69Å; L130-F267 HydrophobicContact CD2-CD2 3.96Å; L130-F267 HydrophobicContact CD2-CE2 3.66Å; L130-L270 HydrophobicContact CB-CD2 4.09Å; L130-L270 HydrophobicContact CD2-CD2 3.82Å; L130-L270 HydrophobicContact CD2-CG 4.07Å; L130-L270 HydrophobicContact CG-CD2 3.68Å; L130-L270 HydrophobicContact CG-CG 4.24Å; L130-L274 HydrophobicContact CD1-CD1 4.11Å; L130-L274 HydrophobicContact CD2-CD1 4.36Å; L130-Y431 HydrophobicContact CB-CE1 4.02Å; L130-Y431 HydrophobicContact CD1-CE1 3.92Å; L130-Y431 WeakPolarHBondContact CD1-OH 3.48Å; L130-Y431 HydrophobicContact CG-CE1 4.5Å
131L98.5Very high96.3Very high0 Ų019.8 Ų19.80%09%0.087CC..Hα-helixtrans-62.9-38.2174.8179.955.4000111.2L17 I20 Y21 A24 Y112 W127 D128 I129 G135 F266 L270L17-L131 HydrophobicContact CD1-CD1 3.7Å; I20-L131 HydrophobicContact CG2-CD1 3.76Å; I20-L131 HydrophobicContact CG2-CD2 4.37Å; Y21-L131 HydrophobicContact CD1-CD1 4.16Å; Y21-L131 HydrophobicContact CD1-CD2 3.95Å; Y21-L131 HydrophobicContact CD1-CG 4.19Å; Y21-L131 HydrophobicContact CD2-CD1 4.15Å; Y21-L131 HydrophobicContact CE1-CD1 3.97Å; Y21-L131 HydrophobicContact CE1-CD2 4Å; Y21-L131 HydrophobicContact CE1-CG 3.82Å; Y21-L131 HydrophobicContact CE2-CD1 3.96Å; Y21-L131 HydrophobicContact CG-CD1 4.24Å; A24-L131 HydrophobicContact CB-CD2 3.64Å; Y112-L131 HydrophobicContact CD1-CD2 4.26Å; Y112-L131 HydrophobicContact CD2-CD2 4.36Å; Y112-L131 HydrophobicContact CE1-CB 4.44Å; Y112-L131 HydrophobicContact CE1-CD2 3.86Å; Y112-L131 HydrophobicContact CE1-CG 4.38Å; Y112-L131 HydrophobicContact CE2-CD2 3.99Å; Y112-L131 HydrophobicContact CG-CD2 4.48Å; W127-L131 WeakPolarHBondContact O-CB 3.26Å; W127-L131 PolarHBondContact O-N 2.94Å; D128-L131 PolarHBondContact O-N 3.39Å; I129-L131 VanDerWaalsContact C-N 3.28Å; I129-L131 PolarHBondContact O-N 3.31Å; L131-G135 WeakPolarHBondContact O-CA 3.34Å; L131-G135 PolarHBondContact O-N 2.96Å; L131-F266 HydrophobicContact CB-CE2 4.23Å; L131-F266 HydrophobicContact CD2-CE2 3.99Å; L131-F266 HydrophobicContact CD2-CZ 4.23Å; L131-L270 HydrophobicContact CB-CD2 4.08Å; L131-L270 HydrophobicContact CD1-CD2 4.46Å
132L98.5Very high96.1Very high0 Ų018.4 Ų18.40%08%0.079CC..Hα-helixtrans-67.2-44.1174.7-70.4177.5000112.9W109 Y112 L113 L116 D128 I129 L130 G135 F136 Y426W109-L132 HydrophobicContact CG-CD2 4.37Å; W109-L132 PolarHBondContact NE1-O 3.46Å; Y112-L132 HydrophobicContact CD1-CD2 3.76Å; Y112-L132 HydrophobicContact CD1-CG 3.98Å; Y112-L132 HydrophobicContact CG-CD2 4.43Å; L113-L132 HydrophobicContact CB-CD1 4.42Å; L113-L132 HydrophobicContact CB-CD2 4.04Å; L113-L132 HydrophobicContact CD1-CD1 3.87Å; L116-L132 HydrophobicContact CB-CD1 4.47Å; L116-L132 HydrophobicContact CD1-CD1 3.69Å; D128-L132 PolarHBondContact O-N 3.2Å; I129-L132 PolarHBondContact O-N 2.97Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L132-G135 PolarHBondContact O-N 2.86Å; L132-F136 WeakPolarHBondContact O-CB 3.39Å; L132-F136 PolarHBondContact O-N 2.9Å; L132-Y426 HydrophobicContact CD1-CD2 4.44Å; L132-Y426 HydrophobicContact CD1-CG 4.1Å
133E98.3Very high95.3Very high2 Ų219.6 Ų19.61%0.0099%0.087CC..Hα-helixtrans-62.9-47.2175.6-65.1-160.8-135.900111.6I129 L130 G135 F136 I137 L167 R170 Y426 I427 N429 Y431I129-E133 PolarHBondContact O-N 3.4Å; I129-E133 VanDerWaalsContact O-N 3.08Å; L130-E133 PolarHBondContact O-N 3.17Å; E133-G135 VanDerWaalsContact C-N 3.31Å; E133-G135 PolarHBondContact O-N 3.23Å; E133-F136 PolarHBondContact O-N 2.93Å; E133-I137 WeakPolarHBondContact O-CG1 3.19Å; E133-I137 PolarHBondContact O-N 3.33Å; E133-I137 VanDerWaalsContact O-N 3.11Å; E133-L167 HydrophobicContact CB-CD1 4.19Å; E133-L167 HydrophobicContact CB-CD2 3.89Å; E133-L167 WeakPolarHBondContact OE2-CD1 3.47Å; E133-R170 IonicContact OE1-NH1 2.75Å; E133-R170 IonicContact OE2-CZ 3.9Å; E133-R170 IonicContact OE2-NH1 3.86Å; E133-R170 PolarHBondContact OE2-NH1 3.36Å; E133-R170 IonicContact OE2-NH2 3.52Å; E133-R170 PolarHBondContact OE2-NH2 3.31Å; E133-Y426 WeakPolarHBondContact CG-O 3.27Å; E133-I427 VanDerWaalsContact CG-O 3.29Å; E133-I427 WeakPolarHBondContact CG-O 3.29Å; E133-N429 WeakPolarHBondContact CG-ND2 3.19Å; E133-N429 WeakPolarHBondContact OE1-CA 3.36Å; E133-N429 WeakPolarHBondContact OE1-CB 3.37Å; E133-N429 PolarHBondContact OE1-N 3.49Å; E133-N429 PolarHBondContact OE1-ND2 2.87Å; E133-Y431 PolarHBondContact OE1-OH 3.28Å
134S98.6Very high94.3Very high0 Ų024.1 Ų24.10%011%0.107CC..Hα-helixtrans-63.4-40.5179-54.50000111.2L130 I137 A138L130-S134 VanDerWaalsContact O-CB 3.29Å; L130-S134 WeakPolarHBondContact O-CB 3.34Å; L130-S134 PolarHBondContact O-N 3.34Å; L130-S134 PolarHBondContact O-OG 3.24Å; S134-I137 PolarHBondContact O-N 2.85Å; S134-A138 WeakPolarHBondContact O-CB 3.41Å; S134-A138 PolarHBondContact O-N 2.69Å
135G98.3Very high92.8Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-59.8-46.2174.400000113.1Y21 L131 L132 E133 I137 A138 I139Y21-G135 VanDerWaalsContact OH-CA 3.31Å; Y21-G135 WeakPolarHBondContact OH-CA 3.49Å; L131-G135 WeakPolarHBondContact O-CA 3.34Å; L131-G135 PolarHBondContact O-N 2.96Å; L132-G135 PolarHBondContact O-N 2.86Å; E133-G135 VanDerWaalsContact C-N 3.31Å; E133-G135 PolarHBondContact O-N 3.23Å; G135-I137 PolarHBondContact O-N 2.88Å; G135-A138 WeakPolarHBondContact O-CB 3.33Å; G135-A138 PolarHBondContact O-N 3.22Å; G135-I139 WeakPolarHBondContact O-CG1 3.5Å; G135-I139 PolarHBondContact O-N 3.44Å
136F98.2Very high90.7Very high38 Ų3818.8 Ų18.817%0.16710%0.101CC..Hα-helixtrans-62.8-44.3178-166.8-94.3000111.5W109 L132 E133 A138 I139 V390 I394 I427W109-F136 HydrophobicContact CD2-CD2 4.21Å; W109-F136 AromaticContact CE2-CD2 3.8Å; W109-F136 HydrophobicContact CH2-CD2 4.25Å; W109-F136 HydrophobicContact CH2-CE2 4.45Å; W109-F136 AromaticContact CZ2-CD2 3.82Å; W109-F136 HydrophobicContact CZ2-CD2 3.82Å; W109-F136 HydrophobicContact CZ2-CE2 4.42Å; L132-F136 WeakPolarHBondContact O-CB 3.39Å; L132-F136 PolarHBondContact O-N 2.9Å; E133-F136 PolarHBondContact O-N 2.93Å; F136-A138 VanDerWaalsContact C-N 3.28Å; F136-A138 PolarHBondContact O-N 3.03Å; F136-I139 HydrophobicContact CD2-CD1 4.19Å; F136-I139 VanDerWaalsContact O-CB 3.31Å; F136-I139 WeakPolarHBondContact O-CB 3.47Å; F136-I139 PolarHBondContact O-N 3.43Å; F136-V390 HydrophobicContact CE1-CG1 4.09Å; F136-I394 HydrophobicContact CD1-CD1 3.83Å; F136-I394 HydrophobicContact CE1-CD1 3.76Å; F136-I394 HydrophobicContact CE1-CG1 4.34Å; F136-I427 HydrophobicContact CD1-CD1 4.5Å; F136-I427 HydrophobicContact CD1-CG1 4.4Å; F136-I427 HydrophobicContact CD1-CG2 3.8Å; F136-I427 HydrophobicContact CD2-CD1 3.85Å; F136-I427 HydrophobicContact CD2-CG1 3.84Å; F136-I427 HydrophobicContact CE1-CD1 4.25Å; F136-I427 HydrophobicContact CE1-CG2 4.11Å; F136-I427 HydrophobicContact CE2-CD1 3.56Å; F136-I427 HydrophobicContact CE2-CG1 4.1Å; F136-I427 HydrophobicContact CG-CD1 4.31Å; F136-I427 HydrophobicContact CG-CG1 4Å; F136-I427 HydrophobicContact CG-CG2 4.13Å; F136-I427 HydrophobicContact CZ-CD1 3.79Å; F136-I427 HydrophobicContact CZ-CG1 4.49Å
137I97.9Very high88.7Confident4 Ų421.5 Ų21.52%0.02112%0.121CC..Hα-helixtrans-65.8-33.1176.6-60.8164.8000111.2E133 S134 G135 I139 L140 L141 G160 L163 L164 L167E133-I137 WeakPolarHBondContact O-CG1 3.19Å; E133-I137 PolarHBondContact O-N 3.33Å; E133-I137 VanDerWaalsContact O-N 3.11Å; S134-I137 PolarHBondContact O-N 2.85Å; G135-I137 PolarHBondContact O-N 2.88Å; I137-I139 PolarHBondContact O-N 3.42Å; I137-L140 WeakPolarHBondContact O-CB 3.48Å; I137-L140 PolarHBondContact O-N 3.36Å; I137-L141 HydrophobicContact CG2-CD1 4.22Å; I137-L141 PolarHBondContact O-N 2.96Å; I137-L141 VanDerWaalsContact O-N 3.17Å; I137-G160 WeakPolarHBondContact CG2-O 3.32Å; I137-L163 HydrophobicContact CD1-CB 4.07Å; I137-L163 HydrophobicContact CG1-CB 4.26Å; I137-L163 HydrophobicContact CG2-CB 3.99Å; I137-L164 HydrophobicContact CB-CD2 3.78Å; I137-L164 HydrophobicContact CB-CG 4.48Å; I137-L164 HydrophobicContact CD1-CD2 4.06Å; I137-L164 HydrophobicContact CG2-CD2 3.48Å; I137-L164 VanDerWaalsContact CG2-CD2 3.48Å; I137-L164 HydrophobicContact CG2-CG 3.64Å; I137-L167 HydrophobicContact CD1-CB 4.25Å; I137-L167 HydrophobicContact CD1-CD2 3.97Å
138A97.3Very high86.6Confident0 Ų026.5 Ų26.50%015%0.147CC..Hα-helixtrans-62.2-30.8175.300000113.2F13 L14 L17 F105 S134 G135 F136 L140 L141 S142F13-A138 HydrophobicContact CE1-CB 3.93Å; L14-A138 HydrophobicContact CD2-CB 3.79Å; L17-A138 HydrophobicContact CD2-CB 3.27Å; F105-A138 HydrophobicContact CD1-CB 4.06Å; F105-A138 HydrophobicContact CE1-CB 4.41Å; F105-A138 HydrophobicContact CG-CB 4.23Å; S134-A138 WeakPolarHBondContact O-CB 3.41Å; S134-A138 PolarHBondContact O-N 2.69Å; G135-A138 WeakPolarHBondContact O-CB 3.33Å; G135-A138 PolarHBondContact O-N 3.22Å; F136-A138 VanDerWaalsContact C-N 3.28Å; F136-A138 PolarHBondContact O-N 3.03Å; A138-L140 VanDerWaalsContact C-N 3.29Å; A138-L140 PolarHBondContact O-N 3.1Å; A138-L141 PolarHBondContact O-N 3.09Å; A138-S142 VanDerWaalsContact O-CB 3.26Å; A138-S142 WeakPolarHBondContact O-CB 3.44Å; A138-S142 PolarHBondContact O-N 2.9Å; A138-S142 PolarHBondContact O-OG 3.05Å
139I95.5Very high84.6Confident13 Ų1332.6 Ų32.67%0.06719%0.189CC..Hα-helixtrans-59.7-43.8172.4-58.3165.9000109.8F105 L106 W109 G135 F136 I137 L141 S142 F144F105-I139 HydrophobicContact CB-CG1 4Å; L106-I139 HydrophobicContact CB-CD1 4.05Å; L106-I139 HydrophobicContact CB-CG1 4.28Å; L106-I139 HydrophobicContact CB-CG2 4.46Å; L106-I139 HydrophobicContact CD1-CD1 3.81Å; W109-I139 HydrophobicContact CB-CD1 4.2Å; W109-I139 HydrophobicContact CG-CD1 4.38Å; G135-I139 WeakPolarHBondContact O-CG1 3.5Å; G135-I139 PolarHBondContact O-N 3.44Å; F136-I139 HydrophobicContact CD2-CD1 4.19Å; F136-I139 VanDerWaalsContact O-CB 3.31Å; F136-I139 WeakPolarHBondContact O-CB 3.47Å; F136-I139 PolarHBondContact O-N 3.43Å; I137-I139 PolarHBondContact O-N 3.42Å; I139-L141 VanDerWaalsContact C-N 3.31Å; I139-L141 PolarHBondContact O-N 3.13Å; I139-S142 PolarHBondContact O-N 3.3Å; I139-F144 HydrophobicContact CG2-CE2 4.39Å; I139-F144 HydrophobicContact CG2-CZ 3.77Å
140L93.5Very high82.9Confident21 Ų2134.7 Ų34.711%0.1120%0.201CC..Hα-helixtrans-68.8-28.4180-51-178.9000113.1I137 A138 L163 I387 V390 I394I137-L140 WeakPolarHBondContact O-CB 3.48Å; I137-L140 PolarHBondContact O-N 3.36Å; A138-L140 VanDerWaalsContact C-N 3.29Å; A138-L140 PolarHBondContact O-N 3.1Å; L140-L163 HydrophobicContact CD1-CD1 3.88Å; L140-I387 HydrophobicContact CB-CG2 4.42Å; L140-V390 HydrophobicContact CD1-CG1 4.05Å; L140-V390 HydrophobicContact CD2-CG1 3.98Å; L140-I394 HydrophobicContact CD1-CD1 3.94Å
141L92.9Very high81.3Confident1 Ų137.5 Ų37.51%0.00522%0.218CC..Hα-helixtrans-85.3-17.8178.8-74.5171.5000113.9K10 F13 L14 I137 A138 I139 R152 M161 L164K10-L141 HydrophobicContact CD-CB 4.32Å; K10-L141 HydrophobicContact CD-CD2 3.93Å; K10-L141 HydrophobicContact CG-CB 4.31Å; K10-L141 HydrophobicContact CG-CD2 4.12Å; F13-L141 HydrophobicContact CD1-CD1 4.04Å; F13-L141 HydrophobicContact CE1-CD1 4.04Å; L14-L141 HydrophobicContact CD2-CB 4.34Å; I137-L141 HydrophobicContact CG2-CD1 4.22Å; I137-L141 PolarHBondContact O-N 2.96Å; I137-L141 VanDerWaalsContact O-N 3.17Å; A138-L141 PolarHBondContact O-N 3.09Å; I139-L141 VanDerWaalsContact C-N 3.31Å; I139-L141 PolarHBondContact O-N 3.13Å; L141-R152 PolarHBondContact O-NH2 2.93Å; L141-M161 HydrophobicContact CD1-SD 4.1Å; L141-M161 HydrophobicContact CD2-CG 3.88Å; L141-M161 HydrophobicContact CD2-SD 4.02Å; L141-L164 HydrophobicContact CD1-CD1 3.41Å; L141-L164 VanDerWaalsContact CD1-CD1 3.41Å; L141-L164 HydrophobicContact CD1-CG 3.94Å
142S90.1Very high79.9Confident8 Ų840 Ų406%0.05623%0.228CC..SBendtrans-90.1151.4-173.5-63.70000111.5G102 F105 A138 I139G102-S142 VanDerWaalsContact N-CB 3.31Å; F105-S142 WeakPolarHBondContact CD2-OG 3.36Å; F105-S142 WeakPolarHBondContact CE2-OG 3.41Å; A138-S142 VanDerWaalsContact O-CB 3.26Å; A138-S142 WeakPolarHBondContact O-CB 3.44Å; A138-S142 PolarHBondContact O-N 2.9Å; A138-S142 PolarHBondContact O-OG 3.05Å; I139-S142 PolarHBondContact O-N 3.3Å
143S81.4Confident78.7Confident24 Ų2441 Ų4117%0.16823%0.234CC..BIsolated β-bridgetrans-77.3136.4175.1-175.60000110.4T101 G102 G145T101-S143 CarbonylContact C-O 3.58Å; T101-S143 WeakPolarHBondContact CA-O 3.45Å; T101-S143 WeakPolarHBondContact CB-O 3.31Å; G102-S143 PolarHBondContact N-O 3.45Å; S143-G145 VanDerWaalsContact C-N 3.26Å; S143-G145 PolarHBondContact OG-N 3.02Å
144F74.8Confident77.9Confident99 Ų9942.5 Ų42.543%0.43424%0.244SC..  trans-85-1.4166.4-73.9-96.5000112.8P103 I139 T146P103-F144 HydrophobicContact CG-CD1 4.03Å; P103-F144 HydrophobicContact CG-CE1 4.48Å; I139-F144 HydrophobicContact CG2-CE2 4.39Å; I139-F144 HydrophobicContact CG2-CZ 3.77Å; F144-T146 PolarHBondContact O-N 3.28Å
145G56.8Low77.1Confident15 Ų1542.6 Ų42.616%0.15524%0.244CC..THydrogen-bonded Turntrans-80.1-1-160.400000118.3S143 I148 L150S143-G145 VanDerWaalsContact C-N 3.26Å; S143-G145 PolarHBondContact OG-N 3.02Å; G145-I148 CarbonylContact C-O 3.56Å; G145-I148 WeakPolarHBondContact CA-O 3.48Å; G145-L150 WeakPolarHBondContact CA-O 3.34Å
146T51.5Low76.6Confident89 Ų8942.7 Ų42.755%0.54625%0.245SC..THydrogen-bonded Turntrans-90.4-20.8176.7570000113T101 F144T101-T146 HydrophobicContact CG2-CG2 3.85Å; T101-T146 WeakPolarHBondContact CG2-OG1 3.19Å; F144-T146 PolarHBondContact O-N 3.28Å
147V52Low76.2Confident107 Ų10741.5 Ų41.565%0.64824%0.24SC*.THydrogen-bonded Turntrans-88.3-39.2-178.3178.90000111.1P103P103-V147 HydrophobicContact CB-CG2 4.43Å; P103-V147 HydrophobicContact CG-CG2 3.95Å
148I51.9Low75.9Confident110 Ų11044.5 Ų44.556%0.56425%0.253SS*.SBendtrans-121.7128.7171.3-49.9169.4000101.9G145 L150G145-I148 CarbonylContact C-O 3.56Å; G145-I148 WeakPolarHBondContact CA-O 3.48Å; I148-L150 HydrophobicContact CB-CD1 4.1Å; I148-L150 HydrophobicContact CB-CG 4.11Å; I148-L150 HydrophobicContact CD1-CD1 4.5Å; I148-L150 HydrophobicContact CG2-CD1 4.03Å; I148-L150 HydrophobicContact CG2-CG 3.81Å; I148-L150 PolarHBondContact O-N 2.97Å
149S56.2Low75.8Confident128 Ų12844.5 Ų44.590%0.89525%0.253SS*.  trans-59.230.8-176.1-54.90000115.8
150L61.3Low75.8Confident70 Ų7043.9 Ų43.937%0.36625%0.25SC..PPolyproline II helixtrans-69.9131.3174.8-65.8173.5000109.6G145 I148 Y379G145-L150 WeakPolarHBondContact CA-O 3.34Å; I148-L150 HydrophobicContact CB-CD1 4.1Å; I148-L150 HydrophobicContact CB-CG 4.11Å; I148-L150 HydrophobicContact CD1-CD1 4.5Å; I148-L150 HydrophobicContact CG2-CD1 4.03Å; I148-L150 HydrophobicContact CG2-CG 3.81Å; I148-L150 PolarHBondContact O-N 2.97Å; L150-Y379 HydrophobicContact CB-CE2 4.4Å; L150-Y379 HydrophobicContact CD1-CE2 4.47Å; L150-Y379 HydrophobicContact CD2-CE2 4.14Å
151P63.7Low75.9Confident58 Ų5843.7 Ų43.738%0.37725%0.249SC..PPolyproline II helixtrans-63.1152.8172.525.6-31.6000110.9V153 R376 Y379P151-V153 PolarHBondContact O-N 3.48Å; P151-R376 VanDerWaalsContact CB-NH1 3.28Å; P151-Y379 HydrophobicContact CG-CD1 4.21Å; P151-Y379 HydrophobicContact CG-CE1 4.16Å; P151-Y379 WeakPolarHBondContact O-CE1 3.29Å; P151-Y379 VanDerWaalsContact O-CZ 3.24Å; P151-Y379 PolarHBondContact O-OH 3.44Å
152R69.8Low76.1Confident52 Ų5243.8 Ų43.820%0.19625%0.249CC..PPolyproline II helixtrans-61.1131.3172.6-174.4-179-164155.819.4111.2E11 L141 V154 R376E11-R152 IonicContact OE1-CZ 3.05Å; E11-R152 IonicContact OE1-NH1 2.66Å; E11-R152 PolarHBondContact OE1-NH1 3.14Å; E11-R152 IonicContact OE1-NH2 3.37Å; E11-R152 PolarHBondContact OE1-NH2 2.7Å; L141-R152 PolarHBondContact O-NH2 2.93Å; R152-V154 HydrophobicContact CB-CG2 4.37Å; R152-V154 HydrophobicContact CG-CG2 4.15Å; R152-V154 PolarHBondContact O-N 2.98Å; R152-R376 PolarHBondContact O-NH2 3.11Å
153V72.9Confident76.5Confident21 Ų2143.5 Ų43.513%0.12725%0.247CC..  trans-70.9114.2163-176.50000107.6P151 S156 Y379 E380P151-V153 PolarHBondContact O-N 3.48Å; V153-S156 VanDerWaalsContact CG1-OG 3.26Å; V153-S156 WeakPolarHBondContact CG1-OG 3.43Å; V153-Y379 HydrophobicContact CB-CE1 4.3Å; V153-Y379 HydrophobicContact CG2-CD1 3.98Å; V153-Y379 HydrophobicContact CG2-CE1 3.25Å; V153-E380 WeakPolarHBondContact CA-OE2 3.38Å; V153-E380 WeakPolarHBondContact CG1-OE2 3.19Å
154V80.8Confident77.3Confident35 Ų3542.3 Ų42.321%0.21224%0.239CC..  trans-100.8-26.5-177.8-179.70000110.9V4 R152 S156 D157 E380V4-V154 HydrophobicContact CG1-CB 4.05Å; V4-V154 HydrophobicContact CG1-CG1 4.01Å; V4-V154 HydrophobicContact CG1-CG2 3.62Å; R152-V154 HydrophobicContact CB-CG2 4.37Å; R152-V154 HydrophobicContact CG-CG2 4.15Å; R152-V154 PolarHBondContact O-N 2.98Å; V154-S156 VanDerWaalsContact C-N 3.27Å; V154-S156 PolarHBondContact O-N 3.36Å; V154-D157 WeakPolarHBondContact O-CB 3.48Å; V154-D157 PolarHBondContact O-N 2.72Å; V154-E380 PolarHBondContact N-OE1 3.06Å; V154-E380 PolarHBondContact N-OE2 3.06Å
155A82.1Confident78.4Confident1 Ų139.1 Ų39.11%0.00822%0.224CC..THydrogen-bonded Turntrans-61.8-35.3-179.500000112.5D157 S364 I367 A368 E380 V384A155-D157 PolarHBondContact O-N 3.13Å; A155-S364 WeakPolarHBondContact O-CB 3.47Å; A155-S364 PolarHBondContact O-OG 3.1Å; A155-I367 HydrophobicContact CB-CB 4.29Å; A155-I367 HydrophobicContact CB-CG2 3.94Å; A155-A368 HydrophobicContact CB-CB 3.87Å; A155-E380 HydrophobicContact CB-CB 4.32Å; A155-E380 VanDerWaalsContact CB-OE2 3.28Å; A155-E380 WeakPolarHBondContact CB-OE2 3.3Å; A155-E380 PolarHBondContact N-OE2 3.44Å; A155-V384 HydrophobicContact CB-CG2 3.51Å
156S88.3Confident80.4Confident2 Ų238.5 Ų38.51%0.01422%0.217CC..THydrogen-bonded Turntrans-78.5-11.6-177.660.90000115V153 V154 K158 I159 G160 I387V153-S156 VanDerWaalsContact CG1-OG 3.26Å; V153-S156 WeakPolarHBondContact CG1-OG 3.43Å; V154-S156 VanDerWaalsContact C-N 3.27Å; V154-S156 PolarHBondContact O-N 3.36Å; S156-K158 PolarHBondContact O-N 3.39Å; S156-K158 VanDerWaalsContact O-N 3.08Å; S156-I159 WeakPolarHBondContact O-CB 3.32Å; S156-I159 PolarHBondContact O-N 3.36Å; S156-G160 PolarHBondContact O-N 3.26Å; S156-I387 VanDerWaalsContact CB-CD1 3.44Å; S156-I387 WeakPolarHBondContact OG-CD1 3.26Å
157D90.3Very high82.6Confident14 Ų1434.3 Ų34.38%0.07519%0.191CC..Hα-helixtrans-55.6-33.3-177.7-76.1-39.6000112.3K10 V154 A155 I159 G160 M161K10-D157 HydrophobicContact CD-CB 4.45Å; K10-D157 WeakPolarHBondContact CD-OD1 3.37Å; K10-D157 IonicContact NZ-OD1 3.75Å; K10-D157 PolarHBondContact NZ-OD1 3.29Å; K10-D157 IonicContact NZ-OD2 3.72Å; K10-D157 PolarHBondContact NZ-OD2 3.16Å; V154-D157 WeakPolarHBondContact O-CB 3.48Å; V154-D157 PolarHBondContact O-N 2.72Å; A155-D157 PolarHBondContact O-N 3.13Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 2.99Å; D157-G160 PolarHBondContact O-N 2.91Å; D157-M161 WeakPolarHBondContact O-CB 3.34Å; D157-M161 VanDerWaalsContact O-CG 3.25Å; D157-M161 WeakPolarHBondContact O-CG 3.17Å; D157-M161 PolarHBondContact O-N 3.43Å
158K90.6Very high84.8Confident66 Ų6629.2 Ų29.229%0.28716%0.16SC..Hα-helixtrans-63.3-39.2179.3-62.6-167.5177.9-169.90112.5S156 M161 W162 H363 I367S156-K158 PolarHBondContact O-N 3.39Å; S156-K158 VanDerWaalsContact O-N 3.08Å; K158-M161 PolarHBondContact O-N 2.91Å; K158-W162 VanDerWaalsContact O-CB 3.24Å; K158-W162 WeakPolarHBondContact O-CB 3.35Å; K158-W162 PolarHBondContact O-N 3.13Å; K158-H363 PolarHBondContact NZ-CE1 3.37Å; K158-H363 PolarHBondContact NZ-ND1 3.19Å; K158-H363 VanDerWaalsContact NZ-ND1 3.11Å; K158-H363 PolarHBondContact NZ-NE2 2.96Å; K158-I367 HydrophobicContact CD-CD1 3.99Å
159I95.1Very high87Confident0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-63.8-50.9177.5-59.2169.8000109S156 D157 M161 W162 L163 F357 V361 V384 I387S156-I159 WeakPolarHBondContact O-CB 3.32Å; S156-I159 PolarHBondContact O-N 3.36Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 2.99Å; I159-M161 PolarHBondContact O-N 3.14Å; I159-W162 PolarHBondContact O-N 3.12Å; I159-L163 HydrophobicContact CG2-CD1 4.36Å; I159-L163 WeakPolarHBondContact O-CG 3.12Å; I159-L163 PolarHBondContact O-N 3.03Å; I159-F357 HydrophobicContact CG2-CE2 3.66Å; I159-F357 HydrophobicContact CG2-CZ 3.96Å; I159-V361 HydrophobicContact CD1-CG2 4.01Å; I159-V361 HydrophobicContact CG1-CG2 4.17Å; I159-V384 HydrophobicContact CD1-CG1 4.21Å; I159-I387 HydrophobicContact CB-CG2 4.17Å; I159-I387 HydrophobicContact CD1-CG2 4.49Å; I159-I387 HydrophobicContact CG2-CG2 4.03Å
160G95.2Very high89Confident0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-61.3-42.5178.300000113.2I137 S156 D157 W162 L163 L164I137-G160 WeakPolarHBondContact CG2-O 3.32Å; S156-G160 PolarHBondContact O-N 3.26Å; D157-G160 PolarHBondContact O-N 2.91Å; G160-W162 VanDerWaalsContact C-N 3.31Å; G160-W162 PolarHBondContact O-N 3.09Å; G160-L163 PolarHBondContact O-N 3.46Å; G160-L164 PolarHBondContact O-N 2.86Å
161M96Very high90.7Very high18 Ų1814.7 Ų14.79%0.0897%0.074CC..Hα-helixtrans-67.7-34.7178.6-71.4-60.2-74.100111.7P9 K10 L141 D157 K158 I159 L164 R165P9-M161 HydrophobicContact CB-CE 4.02Å; K10-M161 HydrophobicContact CB-CE 4.31Å; K10-M161 HydrophobicContact CB-CG 4.49Å; K10-M161 HydrophobicContact CB-SD 3.7Å; K10-M161 HydrophobicContact CG-SD 4.1Å; L141-M161 HydrophobicContact CD1-SD 4.1Å; L141-M161 HydrophobicContact CD2-CG 3.88Å; L141-M161 HydrophobicContact CD2-SD 4.02Å; D157-M161 WeakPolarHBondContact O-CB 3.34Å; D157-M161 VanDerWaalsContact O-CG 3.25Å; D157-M161 WeakPolarHBondContact O-CG 3.17Å; D157-M161 PolarHBondContact O-N 3.43Å; K158-M161 PolarHBondContact O-N 2.91Å; I159-M161 PolarHBondContact O-N 3.14Å; M161-L164 HydrophobicContact SD-CD1 4.15Å; M161-R165 PolarHBondContact O-N 2.9Å; M161-R165 VanDerWaalsContact O-N 3.11Å
162W97Very high92.4Very high3 Ų312.2 Ų12.21%0.0116%0.057CC..Hα-helixtrans-67.2-39.9172.8-174.198.9000111.7K158 I159 G160 L164 R165 W166 F237 G353 F356 F357 E360 L395K158-W162 VanDerWaalsContact O-CB 3.24Å; K158-W162 WeakPolarHBondContact O-CB 3.35Å; K158-W162 PolarHBondContact O-N 3.13Å; I159-W162 PolarHBondContact O-N 3.12Å; G160-W162 VanDerWaalsContact C-N 3.31Å; G160-W162 PolarHBondContact O-N 3.09Å; W162-L164 VanDerWaalsContact C-N 3.34Å; W162-L164 PolarHBondContact O-N 2.84Å; W162-R165 CarbonylContact O-C 3.52Å; W162-R165 WeakPolarHBondContact O-CB 3.44Å; W162-R165 PolarHBondContact O-N 3.25Å; W162-R165 VanDerWaalsContact O-N 3.11Å; W162-W166 HydrophobicContact CE3-CB 4.14Å; W162-W166 HydrophobicContact CH2-CB 4.14Å; W162-W166 HydrophobicContact CH2-CD2 4.15Å; W162-W166 HydrophobicContact CH2-CE3 4.06Å; W162-W166 HydrophobicContact CH2-CG 4.16Å; W162-W166 HydrophobicContact CZ2-CE3 4.36Å; W162-W166 HydrophobicContact CZ3-CB 3.85Å; W162-W166 HydrophobicContact CZ3-CG 4.09Å; W162-W166 WeakPolarHBondContact O-CB 3.3Å; W162-W166 PolarHBondContact O-N 2.77Å; W162-F237 HydrophobicContact CZ2-CE1 4.27Å; W162-G353 WeakPolarHBondContact CH2-O 3.43Å; W162-G353 WeakPolarHBondContact CZ2-O 3.35Å; W162-F356 HydrophobicContact CZ2-CB 4.35Å; W162-F357 HydrophobicContact CD2-CD2 4.22Å; W162-F357 HydrophobicContact CE3-CB 4.35Å; W162-F357 AromaticContact CE3-CD2 3.52Å; W162-F357 HydrophobicContact CE3-CD2 3.52Å; W162-F357 HydrophobicContact CE3-CE2 4.34Å; W162-F357 HydrophobicContact CE3-CG 4.42Å; W162-F357 HydrophobicContact CH2-CB 3.73Å; W162-F357 HydrophobicContact CH2-CD2 4.19Å; W162-F357 HydrophobicContact CH2-CG 4.4Å; W162-F357 HydrophobicContact CZ2-CB 3.95Å; W162-F357 HydrophobicContact CZ3-CB 3.93Å; W162-F357 AromaticContact CZ3-CD2 3.49Å; W162-F357 HydrophobicContact CZ3-CD2 3.49Å; W162-F357 VanDerWaalsContact CZ3-CD2 3.49Å; W162-F357 HydrophobicContact CZ3-CE2 4.43Å; W162-F357 HydrophobicContact CZ3-CG 4.13Å; W162-E360 HydrophobicContact CB-CG 4.19Å; W162-E360 HydrophobicContact CG-CG 4.05Å; W162-L395 HydrophobicContact CH2-CD1 3.71Å; W162-L395 HydrophobicContact CH2-CD2 3.82Å; W162-L395 HydrophobicContact CH2-CG 4.36Å; W162-L395 HydrophobicContact CZ3-CD1 3.98Å; W162-L395 HydrophobicContact CZ3-CD2 4.06Å; W162-L395 HydrophobicContact CZ3-CG 4.45Å
163L98Very high93.7Very high1 Ų19.8 Ų9.81%0.0055%0.048CC..Hα-helixtrans-62-40175.2-69.9168.8000112.1I137 L140 I159 G160 R165 W166 L167 F357 I394I137-L163 HydrophobicContact CD1-CB 4.07Å; I137-L163 HydrophobicContact CG1-CB 4.26Å; I137-L163 HydrophobicContact CG2-CB 3.99Å; L140-L163 HydrophobicContact CD1-CD1 3.88Å; I159-L163 HydrophobicContact CG2-CD1 4.36Å; I159-L163 WeakPolarHBondContact O-CG 3.12Å; I159-L163 PolarHBondContact O-N 3.03Å; G160-L163 PolarHBondContact O-N 3.46Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 2.9Å; L163-W166 PolarHBondContact O-N 3.14Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 PolarHBondContact O-N 3.34Å; L163-F357 HydrophobicContact CD2-CE2 4.23Å; L163-I394 HydrophobicContact CD1-CD1 4.24Å; L163-I394 HydrophobicContact CD2-CB 4.44Å; L163-I394 HydrophobicContact CD2-CG2 4.33Å
164L98.3Very high94.9Very high0 Ų09 Ų90%04%0.043CC..Hα-helixtrans-62.2-40.5172.5-69.4-178.3000112.1F13 I137 L141 G160 M161 W162 W166 L167 L168 L274F13-L164 HydrophobicContact CD1-CD1 3.51Å; F13-L164 HydrophobicContact CD2-CD1 3.87Å; F13-L164 HydrophobicContact CE1-CD1 3.53Å; F13-L164 HydrophobicContact CE1-CD2 3.9Å; F13-L164 HydrophobicContact CE1-CG 4.33Å; F13-L164 HydrophobicContact CE2-CD1 3.89Å; F13-L164 HydrophobicContact CE2-CD2 3.9Å; F13-L164 HydrophobicContact CG-CD1 3.67Å; F13-L164 HydrophobicContact CZ-CD1 3.72Å; F13-L164 HydrophobicContact CZ-CD2 3.44Å; F13-L164 VanDerWaalsContact CZ-CD2 3.44Å; F13-L164 HydrophobicContact CZ-CG 4.24Å; I137-L164 HydrophobicContact CB-CD2 3.78Å; I137-L164 HydrophobicContact CB-CG 4.48Å; I137-L164 HydrophobicContact CD1-CD2 4.06Å; I137-L164 HydrophobicContact CG2-CD2 3.48Å; I137-L164 VanDerWaalsContact CG2-CD2 3.48Å; I137-L164 HydrophobicContact CG2-CG 3.64Å; L141-L164 HydrophobicContact CD1-CD1 3.41Å; L141-L164 VanDerWaalsContact CD1-CD1 3.41Å; L141-L164 HydrophobicContact CD1-CG 3.94Å; G160-L164 PolarHBondContact O-N 2.86Å; M161-L164 HydrophobicContact SD-CD1 4.15Å; W162-L164 VanDerWaalsContact C-N 3.34Å; W162-L164 PolarHBondContact O-N 2.84Å; L164-W166 VanDerWaalsContact C-N 3.34Å; L164-L167 PolarHBondContact O-N 3.47Å; L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 PolarHBondContact O-N 2.78Å; L164-L274 HydrophobicContact CD2-CD2 3.87Å
165R98.1Very high95.6Very high32 Ų327.5 Ų7.512%0.1214%0.035CC..Hα-helixtrans-65.5-40.1176.8-174.7-173.7-63.5152.910.8111.6M161 W162 L163 L168 F169 F236 F237 S277 L278M161-R165 PolarHBondContact O-N 2.9Å; M161-R165 VanDerWaalsContact O-N 3.11Å; W162-R165 CarbonylContact O-C 3.52Å; W162-R165 WeakPolarHBondContact O-CB 3.44Å; W162-R165 PolarHBondContact O-N 3.25Å; W162-R165 VanDerWaalsContact O-N 3.11Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 2.9Å; R165-L168 PolarHBondContact O-N 2.88Å; R165-F169 WeakPolarHBondContact O-CB 3.49Å; R165-F169 PolarHBondContact O-N 2.9Å; R165-F236 VanDerWaalsContact CD-O 3.28Å; R165-F236 WeakPolarHBondContact CD-O 3.16Å; R165-F236 HydrophobicContact CG-CB 4.16Å; R165-F237 HydrophobicContact CG-CE1 4.31Å; R165-S277 WeakPolarHBondContact CA-OG 3.24Å; R165-S277 PolarHBondContact NE-O 2.96Å; R165-S277 VanDerWaalsContact NE-O 3.15Å; R165-S277 PolarHBondContact NH2-O 3.37Å; R165-L278 HydrophobicContact CG-CD2 3.95Å
166W98.2Very high96.3Very high2 Ų27.5 Ų7.51%0.0083%0.034CC..Hα-helixtrans-64.5-40.9173.9177.5-104.9000112W162 L163 L164 F169 R170 F237 L395 S398 L399 L402W162-W166 HydrophobicContact CE3-CB 4.14Å; W162-W166 HydrophobicContact CH2-CB 4.14Å; W162-W166 HydrophobicContact CH2-CD2 4.15Å; W162-W166 HydrophobicContact CH2-CE3 4.06Å; W162-W166 HydrophobicContact CH2-CG 4.16Å; W162-W166 HydrophobicContact CZ2-CE3 4.36Å; W162-W166 HydrophobicContact CZ3-CB 3.85Å; W162-W166 HydrophobicContact CZ3-CG 4.09Å; W162-W166 WeakPolarHBondContact O-CB 3.3Å; W162-W166 PolarHBondContact O-N 2.77Å; L163-W166 PolarHBondContact O-N 3.14Å; L164-W166 VanDerWaalsContact C-N 3.34Å; W166-F169 HydrophobicContact CE3-CD1 4.07Å; W166-F169 HydrophobicContact CH2-CD1 4.31Å; W166-F169 HydrophobicContact CH2-CE1 4.22Å; W166-F169 AromaticContact CZ3-CD1 3.9Å; W166-F169 HydrophobicContact CZ3-CD1 3.9Å; W166-F169 HydrophobicContact CZ3-CE1 4.07Å; W166-F169 WeakPolarHBondContact O-CB 3.48Å; W166-F169 PolarHBondContact O-N 3.46Å; W166-R170 HydrophobicContact CZ2-CG 4.3Å; W166-R170 PolarHBondContact O-N 3Å; W166-F237 HydrophobicContact CE3-CE1 4.07Å; W166-F237 AromaticContact CE3-CZ 3.59Å; W166-F237 HydrophobicContact CE3-CZ 3.59Å; W166-F237 HydrophobicContact CZ3-CZ 4.1Å; W166-L395 HydrophobicContact CD2-CD1 3.97Å; W166-L395 HydrophobicContact CG-CD1 4.3Å; W166-L395 HydrophobicContact CZ2-CD1 3.96Å; W166-S398 PolarHBondContact NE1-OG 3.43Å; W166-L399 HydrophobicContact CH2-CD2 4.25Å; W166-L399 HydrophobicContact CZ2-CD2 3.83Å; W166-L402 HydrophobicContact CH2-CD2 3.51Å; W166-L402 HydrophobicContact CZ2-CD2 3.7Å
167L98.5Very high96.6Very high0 Ų07.4 Ų7.40%03%0.033CC..Hα-helixtrans-62.1-46.4172.4174.559000111.6L130 E133 I137 L163 L164 F169 R170 L171 L274 Y431L130-L167 HydrophobicContact CD1-CD1 3.85Å; L130-L167 HydrophobicContact CD1-CD2 4.11Å; L130-L167 HydrophobicContact CD1-CG 4.1Å; E133-L167 HydrophobicContact CB-CD1 4.19Å; E133-L167 HydrophobicContact CB-CD2 3.89Å; E133-L167 WeakPolarHBondContact OE2-CD1 3.47Å; I137-L167 HydrophobicContact CD1-CB 4.25Å; I137-L167 HydrophobicContact CD1-CD2 3.97Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 PolarHBondContact O-N 3.34Å; L164-L167 PolarHBondContact O-N 3.47Å; L167-F169 VanDerWaalsContact C-N 3.32Å; L167-F169 PolarHBondContact O-N 2.89Å; L167-R170 PolarHBondContact O-N 3.5Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 PolarHBondContact O-N 3.12Å; L167-L274 HydrophobicContact CD2-CD1 4.43Å; L167-L274 HydrophobicContact CD2-CD2 4.05Å; L167-L274 HydrophobicContact CG-CD1 4.37Å; L167-Y431 HydrophobicContact CD1-CE2 3.9Å
168L98.6Very high96.9Very high0 Ų07.4 Ų7.40%03%0.034CC..Hα-helixtrans-59.7-43175.5-179.863000111.6L164 R165 L171 M172 F236 T271 L274 L278L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 PolarHBondContact O-N 2.78Å; R165-L168 PolarHBondContact O-N 2.88Å; L168-L171 PolarHBondContact O-N 3.23Å; L168-M172 HydrophobicContact CD1-CG 4Å; L168-M172 WeakPolarHBondContact O-CG 3.08Å; L168-M172 PolarHBondContact O-N 2.82Å; L168-F236 HydrophobicContact CD2-CD2 4.33Å; L168-F236 HydrophobicContact CD2-CE2 3.98Å; L168-F236 HydrophobicContact CD2-CZ 4.42Å; L168-F236 HydrophobicContact CG-CD2 4.28Å; L168-F236 HydrophobicContact CG-CE2 3.74Å; L168-F236 HydrophobicContact CG-CZ 4.45Å; L168-T271 HydrophobicContact CD1-CG2 4.06Å; L168-L274 HydrophobicContact CB-CB 4.21Å; L168-L274 HydrophobicContact CD1-CB 3.95Å; L168-L274 HydrophobicContact CG-CB 4.48Å; L168-L278 HydrophobicContact CD2-CD1 3.89Å; L168-L278 HydrophobicContact CD2-CD2 4.36Å; L168-L278 HydrophobicContact CD2-CG 4Å
169F98.3Very high97.2Very high0 Ų04.9 Ų4.90%02%0.023CC..Hα-helixtrans-57.6-54.8174.1168-102.8000111.1R165 W166 L167 L171 M172 F173 P233 L234 F236 F237 S349 L402R165-F169 WeakPolarHBondContact O-CB 3.49Å; R165-F169 PolarHBondContact O-N 2.9Å; W166-F169 HydrophobicContact CE3-CD1 4.07Å; W166-F169 HydrophobicContact CH2-CD1 4.31Å; W166-F169 HydrophobicContact CH2-CE1 4.22Å; W166-F169 AromaticContact CZ3-CD1 3.9Å; W166-F169 HydrophobicContact CZ3-CD1 3.9Å; W166-F169 HydrophobicContact CZ3-CE1 4.07Å; W166-F169 WeakPolarHBondContact O-CB 3.48Å; W166-F169 PolarHBondContact O-N 3.46Å; L167-F169 VanDerWaalsContact C-N 3.32Å; L167-F169 PolarHBondContact O-N 2.89Å; F169-L171 VanDerWaalsContact C-N 3.31Å; F169-L171 PolarHBondContact O-N 2.88Å; F169-M172 PolarHBondContact O-N 2.79Å; F169-F173 HydrophobicContact CD2-CB 4.17Å; F169-F173 HydrophobicContact CE2-CB 3.81Å; F169-F173 HydrophobicContact CE2-CD2 4.07Å; F169-F173 AromaticContact CE2-CG 3.88Å; F169-F173 HydrophobicContact CE2-CG 3.88Å; F169-F173 HydrophobicContact CZ-CB 4.01Å; F169-F173 HydrophobicContact CZ-CD1 4.01Å; F169-F173 HydrophobicContact CZ-CD2 4.29Å; F169-F173 AromaticContact CZ-CG 3.83Å; F169-F173 HydrophobicContact CZ-CG 3.83Å; F169-F173 WeakPolarHBondContact O-CB 3.42Å; F169-F173 PolarHBondContact O-N 2.66Å; F169-P233 HydrophobicContact CD2-CB 3.66Å; F169-P233 WeakPolarHBondContact CD2-O 3.44Å; F169-P233 HydrophobicContact CE2-CB 4.09Å; F169-L234 HydrophobicContact CE2-CD2 3.95Å; F169-L234 HydrophobicContact CZ-CD2 4.33Å; F169-F236 HydrophobicContact CB-CD2 4.11Å; F169-F237 HydrophobicContact CB-CE2 3.97Å; F169-F237 HydrophobicContact CB-CZ 3.75Å; F169-F237 HydrophobicContact CD1-CE2 4.16Å; F169-F237 HydrophobicContact CD1-CZ 4.18Å; F169-F237 AromaticContact CD2-CE2 3.81Å; F169-F237 HydrophobicContact CD2-CE2 3.81Å; F169-F237 HydrophobicContact CD2-CZ 4.42Å; F169-F237 HydrophobicContact CE2-CE2 4.39Å; F169-F237 AromaticContact CG-CE2 3.69Å; F169-F237 HydrophobicContact CG-CE2 3.69Å; F169-F237 AromaticContact CG-CZ 3.85Å; F169-F237 HydrophobicContact CG-CZ 3.85Å; F169-S349 WeakPolarHBondContact CZ-OG 3.33Å; F169-L402 HydrophobicContact CE1-CD1 4.18Å; F169-L402 HydrophobicContact CE1-CD2 4.18Å
170R97.7Very high97.2Very high4 Ų45 Ų52%0.0152%0.024CC..Hα-helixtrans-56.8-45178.4-75.5-170.3-66.1120.2-4.4111.7E133 W166 L167 S174 N429E133-R170 IonicContact OE1-NH1 2.75Å; E133-R170 IonicContact OE2-CZ 3.9Å; E133-R170 IonicContact OE2-NH1 3.86Å; E133-R170 PolarHBondContact OE2-NH1 3.36Å; E133-R170 IonicContact OE2-NH2 3.52Å; E133-R170 PolarHBondContact OE2-NH2 3.31Å; W166-R170 HydrophobicContact CZ2-CG 4.3Å; W166-R170 PolarHBondContact O-N 3Å; L167-R170 PolarHBondContact O-N 3.5Å; R170-S174 WeakPolarHBondContact O-CB 3.25Å; R170-S174 PolarHBondContact O-N 2.84Å; R170-S174 PolarHBondContact O-OG 3.17Å; R170-N429 PolarHBondContact NH1-O 3.2Å
171L97.9Very high97.1Very high0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-57.6-55.1179.3175.763.9000111.4L130 L167 L168 F169 S175 F267 T271 L274 Y431L130-L171 HydrophobicContact CD1-CD2 4.29Å; L130-L171 HydrophobicContact CD2-CD1 4.3Å; L130-L171 HydrophobicContact CD2-CD2 3.69Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 PolarHBondContact O-N 3.12Å; L168-L171 PolarHBondContact O-N 3.23Å; F169-L171 VanDerWaalsContact C-N 3.31Å; F169-L171 PolarHBondContact O-N 2.88Å; L171-S175 WeakPolarHBondContact O-CB 3.31Å; L171-S175 PolarHBondContact O-N 3.32Å; L171-S175 VanDerWaalsContact O-N 3.17Å; L171-S175 PolarHBondContact O-OG 3.39Å; L171-F267 HydrophobicContact CD1-CE2 4.05Å; L171-F267 HydrophobicContact CD1-CZ 4.08Å; L171-F267 HydrophobicContact CD2-CE2 4.32Å; L171-F267 HydrophobicContact CD2-CZ 4.34Å; L171-T271 HydrophobicContact CD2-CG2 4.06Å; L171-L274 HydrophobicContact CD2-CD1 4.18Å; L171-Y431 HydrophobicContact CB-CD2 4.48Å; L171-Y431 HydrophobicContact CD1-CD1 3.65Å; L171-Y431 HydrophobicContact CD1-CD2 4.38Å; L171-Y431 HydrophobicContact CD1-CE1 4.17Å; L171-Y431 HydrophobicContact CD1-CG 3.78Å
172M98Very high97Very high6 Ų66.3 Ų6.33%0.033%0.033CC..Hα-helixtrans-70.9-50.4-175-63.2-47.1-62.700111.4L168 F169 S175 G176 E229 P233 F236 L254 T271L168-M172 HydrophobicContact CD1-CG 4Å; L168-M172 WeakPolarHBondContact O-CG 3.08Å; L168-M172 PolarHBondContact O-N 2.82Å; F169-M172 PolarHBondContact O-N 2.79Å; M172-S175 PolarHBondContact O-N 2.89Å; M172-G176 PolarHBondContact O-N 2.56Å; M172-E229 CarbonylContact C-O 3.6Å; M172-E229 VanDerWaalsContact C-O 3.29Å; M172-E229 HydrophobicContact CE-CG 3.78Å; M172-E229 VanDerWaalsContact O-O 3.04Å; M172-P233 HydrophobicContact CB-CB 4.47Å; M172-P233 HydrophobicContact CB-CG 3.78Å; M172-F236 HydrophobicContact CG-CE2 4.44Å; M172-L254 HydrophobicContact CE-CD2 3.96Å; M172-T271 HydrophobicContact SD-CG2 3.96Å
173F97.6Very high96.9Very high0 Ų010.1 Ų10.10%05%0.053CC..Hα-helixtrans-61-51.5-177.1-173.7-102.4000112F169 S175 G176 V177 E229 I230 P233 V346 L402 L405F169-F173 HydrophobicContact CD2-CB 4.17Å; F169-F173 HydrophobicContact CE2-CB 3.81Å; F169-F173 HydrophobicContact CE2-CD2 4.07Å; F169-F173 AromaticContact CE2-CG 3.88Å; F169-F173 HydrophobicContact CE2-CG 3.88Å; F169-F173 HydrophobicContact CZ-CB 4.01Å; F169-F173 HydrophobicContact CZ-CD1 4.01Å; F169-F173 HydrophobicContact CZ-CD2 4.29Å; F169-F173 AromaticContact CZ-CG 3.83Å; F169-F173 HydrophobicContact CZ-CG 3.83Å; F169-F173 WeakPolarHBondContact O-CB 3.42Å; F169-F173 PolarHBondContact O-N 2.66Å; F173-S175 VanDerWaalsContact C-N 3.33Å; F173-S175 PolarHBondContact O-N 3.34Å; F173-G176 PolarHBondContact O-N 3.37Å; F173-V177 HydrophobicContact CD1-CG2 4.16Å; F173-V177 HydrophobicContact CD2-CG2 4.34Å; F173-V177 HydrophobicContact CE1-CG2 3.79Å; F173-V177 HydrophobicContact CE2-CG2 4Å; F173-V177 HydrophobicContact CG-CG2 4.42Å; F173-V177 HydrophobicContact CZ-CG2 3.7Å; F173-V177 WeakPolarHBondContact O-CB 3.4Å; F173-V177 VanDerWaalsContact O-CG2 3.31Å; F173-V177 WeakPolarHBondContact O-CG2 3.39Å; F173-V177 PolarHBondContact O-N 2.95Å; F173-E229 VanDerWaalsContact CA-O 3.28Å; F173-E229 WeakPolarHBondContact CA-O 3.33Å; F173-E229 PolarHBondContact N-O 2.84Å; F173-I230 VanDerWaalsContact CD2-O 3.3Å; F173-I230 WeakPolarHBondContact CD2-O 3.5Å; F173-I230 HydrophobicContact CE2-CG2 4.23Å; F173-P233 HydrophobicContact CB-CB 4.37Å; F173-V346 HydrophobicContact CE1-CG2 3.92Å; F173-L402 HydrophobicContact CD1-CD1 4.06Å; F173-L402 HydrophobicContact CE1-CD1 4.45Å; F173-L405 HydrophobicContact CD1-CD1 3.87Å; F173-L405 HydrophobicContact CE1-CD1 3.84Å
174S97.4Very high96.7Very high4 Ų410.5 Ų10.53%0.0286%0.056CC..Hα-helixtrans-62.3-42.1178.1-610000111.1R170 G176 V177 V178 Y431R170-S174 WeakPolarHBondContact O-CB 3.25Å; R170-S174 PolarHBondContact O-N 2.84Å; R170-S174 PolarHBondContact O-OG 3.17Å; S174-G176 VanDerWaalsContact C-N 3.32Å; S174-G176 PolarHBondContact O-N 3.14Å; S174-V177 PolarHBondContact O-N 3.06Å; S174-V178 WeakPolarHBondContact O-CG1 3.42Å; S174-V178 WeakPolarHBondContact O-CG2 3.47Å; S174-V178 PolarHBondContact O-N 3.1Å; S174-Y431 WeakPolarHBondContact CB-O 3.26Å
175S96Very high96.6Very high5 Ų515.7 Ų15.74%0.0359%0.09CC..Hα-helixtrans-64.2-33.3179.1-61.90000113.2L171 M172 F173 K179L171-S175 WeakPolarHBondContact O-CB 3.31Å; L171-S175 PolarHBondContact O-N 3.32Å; L171-S175 VanDerWaalsContact O-N 3.17Å; L171-S175 PolarHBondContact O-OG 3.39Å; M172-S175 PolarHBondContact O-N 2.89Å; F173-S175 VanDerWaalsContact C-N 3.33Å; F173-S175 PolarHBondContact O-N 3.34Å; S175-K179 WeakPolarHBondContact O-CG 3.3Å; S175-K179 PolarHBondContact O-NZ 3.15Å
176G96.2Very high96.4Very high0 Ų014.8 Ų14.80%09%0.088CC..Hα-helixtrans-74.1-49.717400000112.2M172 F173 S174 V178 K179 E229M172-G176 PolarHBondContact O-N 2.56Å; F173-G176 PolarHBondContact O-N 3.37Å; S174-G176 VanDerWaalsContact C-N 3.32Å; S174-G176 PolarHBondContact O-N 3.14Å; G176-V178 VanDerWaalsContact C-N 3.34Å; G176-V178 PolarHBondContact O-N 3.07Å; G176-K179 WeakPolarHBondContact O-CB 3.14Å; G176-K179 PolarHBondContact O-N 3.41Å; G176-E229 WeakPolarHBondContact CA-OE2 3.27Å
177V96.5Very high96.3Very high0 Ų015.4 Ų15.40%09%0.091CC..Hα-helixtrans-59-44.2-177.6169.10000111.6F173 S174 K179 L180 T181 I230 F338 V342 L405F173-V177 HydrophobicContact CD1-CG2 4.16Å; F173-V177 HydrophobicContact CD2-CG2 4.34Å; F173-V177 HydrophobicContact CE1-CG2 3.79Å; F173-V177 HydrophobicContact CE2-CG2 4Å; F173-V177 HydrophobicContact CG-CG2 4.42Å; F173-V177 HydrophobicContact CZ-CG2 3.7Å; F173-V177 WeakPolarHBondContact O-CB 3.4Å; F173-V177 VanDerWaalsContact O-CG2 3.31Å; F173-V177 WeakPolarHBondContact O-CG2 3.39Å; F173-V177 PolarHBondContact O-N 2.95Å; S174-V177 PolarHBondContact O-N 3.06Å; V177-K179 PolarHBondContact O-N 2.87Å; V177-L180 PolarHBondContact O-N 3.42Å; V177-L180 VanDerWaalsContact O-N 3.15Å; V177-T181 HydrophobicContact CG1-CG2 3.82Å; V177-T181 PolarHBondContact O-N 2.86Å; V177-T181 PolarHBondContact O-OG1 3.14Å; V177-I230 HydrophobicContact CG2-CG2 4.41Å; V177-F338 HydrophobicContact CG1-CZ 4.5Å; V177-V342 HydrophobicContact CG1-CG1 3.93Å; V177-V342 HydrophobicContact CG1-CG2 3.71Å; V177-V342 HydrophobicContact CG2-CG2 4.35Å; V177-L405 HydrophobicContact CB-CD1 4.39Å; V177-L405 HydrophobicContact CG1-CB 4.45Å; V177-L405 HydrophobicContact CG1-CD1 4.32Å; V177-L405 HydrophobicContact CG1-CD2 4.22Å
178V96Very high96.2Very high15 Ų1517.3 Ų17.39%0.09110%0.098CC..Hα-helixtrans-64.8-24.2-176.7-620000113.8S174 G176 L180 T181 S182 L405 R435S174-V178 WeakPolarHBondContact O-CG1 3.42Å; S174-V178 WeakPolarHBondContact O-CG2 3.47Å; S174-V178 PolarHBondContact O-N 3.1Å; G176-V178 VanDerWaalsContact C-N 3.34Å; G176-V178 PolarHBondContact O-N 3.07Å; V178-L180 VanDerWaalsContact C-N 3.31Å; V178-T181 WeakPolarHBondContact CA-OG1 3.4Å; V178-S182 VanDerWaalsContact O-CB 3.29Å; V178-S182 WeakPolarHBondContact O-CB 3.42Å; V178-S182 PolarHBondContact O-N 3.02Å; V178-L405 HydrophobicContact CG1-CD2 3.79Å; V178-R435 HydrophobicContact CB-CG 4.25Å; V178-R435 HydrophobicContact CG2-CB 4.35Å; V178-R435 HydrophobicContact CG2-CG 4.45Å; V178-R435 WeakPolarHBondContact O-CG 3.45Å
179K96Very high96Very high12 Ų1218.9 Ų18.95%0.05211%0.114CC..Hα-helixtrans-65.7-36.4177.3-68.8178.3-177.589.50111.4S175 G176 V177 S182 W187 F226 E229S175-K179 WeakPolarHBondContact O-CG 3.3Å; S175-K179 PolarHBondContact O-NZ 3.15Å; G176-K179 WeakPolarHBondContact O-CB 3.14Å; G176-K179 PolarHBondContact O-N 3.41Å; V177-K179 PolarHBondContact O-N 2.87Å; K179-S182 PolarHBondContact O-OG 3.38Å; K179-W187 HydrophobicContact CB-CD2 3.94Å; K179-W187 HydrophobicContact CB-CE3 4.48Å; K179-W187 HydrophobicContact CB-CG 3.91Å; K179-W187 HydrophobicContact CD-CD2 4.16Å; K179-W187 HydrophobicContact CD-CE3 4.12Å; K179-W187 HydrophobicContact CD-CH2 3.83Å; K179-W187 HydrophobicContact CD-CZ2 3.81Å; K179-W187 HydrophobicContact CD-CZ3 3.96Å; K179-W187 HydrophobicContact CG-CD2 4.21Å; K179-W187 HydrophobicContact CG-CZ2 4.08Å; K179-W187 WeakPolarHBondContact O-CB 3.24Å; K179-F226 HydrophobicContact CB-CE1 4.01Å; K179-F226 HydrophobicContact CD-CE1 4.09Å; K179-E229 VanDerWaalsContact NZ-CD 3.26Å; K179-E229 IonicContact NZ-OE1 2.73Å; K179-E229 PolarHBondContact NZ-OE1 3.4Å; K179-E229 VanDerWaalsContact NZ-OE1 3.1Å; K179-E229 IonicContact NZ-OE2 2.71Å; K179-E229 PolarHBondContact NZ-OE2 3.23Å
180L95.3Very high95.9Very high2 Ų218.9 Ų18.91%0.0111%0.114CC..Hα-helixtrans-85.5-39.2177.2-70.2172.8000111.6V177 V178 S182 D183 W188 F226 I230 F333 F338V177-L180 PolarHBondContact O-N 3.42Å; V177-L180 VanDerWaalsContact O-N 3.15Å; V178-L180 VanDerWaalsContact C-N 3.31Å; L180-S182 PolarHBondContact O-N 3.12Å; L180-D183 PolarHBondContact O-N 3.42Å; L180-W188 HydrophobicContact CB-CZ2 4.38Å; L180-W188 HydrophobicContact CD2-CD2 4.13Å; L180-W188 HydrophobicContact CD2-CG 4.36Å; L180-W188 HydrophobicContact CD2-CZ2 4.43Å; L180-W188 PolarHBondContact O-NE1 3.47Å; L180-F226 HydrophobicContact CD1-CE2 4.44Å; L180-F226 HydrophobicContact CD1-CZ 4.46Å; L180-F226 HydrophobicContact CD2-CE2 3.85Å; L180-F226 HydrophobicContact CD2-CZ 3.73Å; L180-F226 HydrophobicContact CG-CE1 4.23Å; L180-F226 HydrophobicContact CG-CE2 4.29Å; L180-F226 HydrophobicContact CG-CZ 3.95Å; L180-I230 HydrophobicContact CD1-CD1 3.92Å; L180-F333 HydrophobicContact CD1-CE2 4.36Å; L180-F333 HydrophobicContact CD1-CZ 4.06Å; L180-F338 HydrophobicContact CB-CD1 3.96Å; L180-F338 HydrophobicContact CB-CE1 3.36Å; L180-F338 HydrophobicContact CB-CE2 4.33Å; L180-F338 HydrophobicContact CB-CZ 3.59Å; L180-F338 HydrophobicContact CD1-CD2 4.04Å; L180-F338 HydrophobicContact CD1-CE1 4.11Å; L180-F338 HydrophobicContact CD1-CE2 3.48Å; L180-F338 VanDerWaalsContact CD1-CE2 3.48Å; L180-F338 HydrophobicContact CD1-CZ 3.53Å; L180-F338 HydrophobicContact CG-CE1 4.39Å; L180-F338 HydrophobicContact CG-CZ 4.18Å
181T94.5Very high95.7Very high43 Ų4324.2 Ų24.226%0.26414%0.137SC..Hα-helixtrans-73.8-3.5175.668.90000114V177 V178 F338V177-T181 HydrophobicContact CG1-CG2 3.82Å; V177-T181 PolarHBondContact O-N 2.86Å; V177-T181 PolarHBondContact O-OG1 3.14Å; V178-T181 WeakPolarHBondContact CA-OG1 3.4Å; T181-F338 HydrophobicContact CG2-CD1 4.41Å; T181-F338 HydrophobicContact CG2-CE1 3.78Å
182S93.5Very high95.7Very high3 Ų324.2 Ų24.22%0.02114%0.137CC..THydrogen-bonded Turntrans-76.7-1117180.40000113.9V178 K179 L180 C184 R435 R436V178-S182 VanDerWaalsContact O-CB 3.29Å; V178-S182 WeakPolarHBondContact O-CB 3.42Å; V178-S182 PolarHBondContact O-N 3.02Å; K179-S182 PolarHBondContact O-OG 3.38Å; L180-S182 PolarHBondContact O-N 3.12Å; S182-C184 PolarHBondContact O-N 2.9Å; S182-C184 WeakPolarHBondContact OG-CB 3.37Å; S182-C184 PolarHBondContact OG-N 3.49Å; S182-R435 WeakPolarHBondContact CB-O 3.38Å; S182-R435 PolarHBondContact OG-O 3.34Å; S182-R436 PolarHBondContact O-NE 3.28Å; S182-R436 PolarHBondContact O-NH2 3.42Å
183D93.3Very high95.6Very high83 Ų8325.1 Ų25.144%0.44414%0.142SC..THydrogen-bonded Turntrans55.229.4-169.2-67.3-55.6000114L180 P185 K335L180-D183 PolarHBondContact O-N 3.42Å; D183-P185 WeakPolarHBondContact O-CD 3.36Å; D183-K335 WeakPolarHBondContact OD1-CD 3.33Å; D183-K335 WeakPolarHBondContact OD1-CE 3.37Å; D183-K335 IonicContact OD1-NZ 3.63Å; D183-K335 PolarHBondContact OD1-NZ 3.31Å
184C94.5Very high95.5Very high10 Ų1027.5 Ų27.57%0.06815%0.153CC..  trans-73.8123.3-179.3-170.90000109.5S182 T186 W187 W188 R436 M437S182-C184 PolarHBondContact O-N 2.9Å; S182-C184 WeakPolarHBondContact OG-CB 3.37Å; S182-C184 PolarHBondContact OG-N 3.49Å; C184-T186 PolarHBondContact O-N 3.27Å; C184-T186 PolarHBondContact SG-OG1 3.4Å; C184-W187 HydrophobicContact CB-CB 4.28Å; C184-W187 HydrophobicContact CB-CG 4.17Å; C184-W187 PolarHBondContact O-N 3.46Å; C184-W187 VanDerWaalsContact O-N 3.09Å; C184-W188 PolarHBondContact O-N 3.49Å; C184-W188 VanDerWaalsContact O-N 3.15Å; C184-R436 HydrophobicContact CB-CG 4.36Å; C184-M437 PolarHBondContact SG-N 3.17Å
185P95.6Very high95.4Very high108 Ų10830.8 Ų30.870%0.70117%0.165SC*.Hα-helixtrans-59.1-31.2-177.9-26.635.5000113.7D183 G189D183-P185 WeakPolarHBondContact O-CD 3.36Å; P185-G189 WeakPolarHBondContact O-CA 3.33Å; P185-G189 PolarHBondContact O-N 2.93Å
186T95.5Very high95.4Very high14 Ų1431.6 Ų31.69%0.08617%0.168CC..Hα-helixtrans-72-32.9178.9590000112.7C184 L190 K191 A192 M437 V440C184-T186 PolarHBondContact O-N 3.27Å; C184-T186 PolarHBondContact SG-OG1 3.4Å; T186-L190 CarbonylContact O-C 3.29Å; T186-L190 PolarHBondContact O-N 3.02Å; T186-K191 PolarHBondContact O-N 3.36Å; T186-A192 PolarHBondContact O-N 2.94Å; T186-A192 VanDerWaalsContact O-N 3.09Å; T186-M437 HydrophobicContact CG2-CB 4.46Å; T186-M437 WeakPolarHBondContact OG1-CB 3.05Å; T186-V440 HydrophobicContact CG2-CG1 4.38Å; T186-V440 HydrophobicContact CG2-CG2 3.77Å
187W96Very high95.4Very high15 Ų1532.7 Ų32.76%0.05717%0.172CC..Hα-helixtrans-71.9-48.8175.5-71.4137.2000110.5K179 C184 G189 L190 A192 V222 F226 F434 R435 M437K179-W187 HydrophobicContact CB-CD2 3.94Å; K179-W187 HydrophobicContact CB-CE3 4.48Å; K179-W187 HydrophobicContact CB-CG 3.91Å; K179-W187 HydrophobicContact CD-CD2 4.16Å; K179-W187 HydrophobicContact CD-CE3 4.12Å; K179-W187 HydrophobicContact CD-CH2 3.83Å; K179-W187 HydrophobicContact CD-CZ2 3.81Å; K179-W187 HydrophobicContact CD-CZ3 3.96Å; K179-W187 HydrophobicContact CG-CD2 4.21Å; K179-W187 HydrophobicContact CG-CZ2 4.08Å; K179-W187 WeakPolarHBondContact O-CB 3.24Å; C184-W187 HydrophobicContact CB-CB 4.28Å; C184-W187 HydrophobicContact CB-CG 4.17Å; C184-W187 PolarHBondContact O-N 3.46Å; C184-W187 VanDerWaalsContact O-N 3.09Å; W187-G189 VanDerWaalsContact C-N 3.3Å; W187-G189 PolarHBondContact O-N 3.12Å; W187-L190 PolarHBondContact O-N 2.91Å; W187-L190 VanDerWaalsContact O-N 3.13Å; W187-A192 HydrophobicContact CD2-CB 3.69Å; W187-A192 HydrophobicContact CE3-CB 3.11Å; W187-A192 HydrophobicContact CH2-CB 3.63Å; W187-A192 HydrophobicContact CZ2-CB 4.17Å; W187-A192 HydrophobicContact CZ3-CB 3.08Å; W187-V222 HydrophobicContact CE3-CG1 4.1Å; W187-V222 HydrophobicContact CZ3-CG1 4.22Å; W187-F226 HydrophobicContact CB-CZ 4.19Å; W187-F226 HydrophobicContact CE3-CE1 4.16Å; W187-F226 AromaticContact CE3-CZ 3.96Å; W187-F226 HydrophobicContact CE3-CZ 3.96Å; W187-F434 HydrophobicContact CZ2-CB 4.19Å; W187-F434 WeakPolarHBondContact CZ2-O 3.04Å; W187-F434 PolarHBondContact NE1-O 3.07Å; W187-R435 PolarHBondContact NE1-O 3.33Å; W187-M437 HydrophobicContact CH2-CE 3.57Å; W187-M437 HydrophobicContact CZ2-CE 3.47Å; W187-M437 VanDerWaalsContact CZ2-CE 3.47Å; W187-M437 HydrophobicContact CZ3-CE 4.38Å
188W95.5Very high95.4Very high39 Ų3932.8 Ų32.815%0.14817%0.173CC..Hα-helixtrans-63.9-33.1176.2-83.195000113.4L180 C184 L190 V331 F333 K335 F338L180-W188 HydrophobicContact CB-CZ2 4.38Å; L180-W188 HydrophobicContact CD2-CD2 4.13Å; L180-W188 HydrophobicContact CD2-CG 4.36Å; L180-W188 HydrophobicContact CD2-CZ2 4.43Å; L180-W188 PolarHBondContact O-NE1 3.47Å; C184-W188 PolarHBondContact O-N 3.49Å; C184-W188 VanDerWaalsContact O-N 3.15Å; W188-L190 VanDerWaalsContact C-N 3.3Å; W188-L190 PolarHBondContact O-N 3.01Å; W188-V331 HydrophobicContact CE3-CB 4.23Å; W188-V331 HydrophobicContact CE3-CG1 3.75Å; W188-V331 HydrophobicContact CE3-CG2 4.48Å; W188-V331 HydrophobicContact CZ3-CB 4.49Å; W188-V331 HydrophobicContact CZ3-CG1 3.54Å; W188-V331 WeakPolarHBondContact O-CG2 3.41Å; W188-F333 AromaticContact CH2-CD2 3.87Å; W188-F333 HydrophobicContact CH2-CD2 3.87Å; W188-F333 AromaticContact CH2-CE2 3.61Å; W188-F333 HydrophobicContact CH2-CE2 3.61Å; W188-F333 AromaticContact CZ3-CD2 3.86Å; W188-F333 HydrophobicContact CZ3-CD2 3.86Å; W188-F333 AromaticContact CZ3-CE2 3.67Å; W188-F333 HydrophobicContact CZ3-CE2 3.67Å; W188-F333 WeakPolarHBondContact CZ3-O 3.04Å; W188-K335 HydrophobicContact CH2-CB 4.39Å; W188-K335 HydrophobicContact CH2-CG 3.87Å; W188-K335 HydrophobicContact CZ2-CB 4.36Å; W188-K335 HydrophobicContact CZ2-CG 3.68Å; W188-K335 HydrophobicContact CZ3-CG 4.47Å; W188-F338 HydrophobicContact CH2-CB 4.03Å; W188-F338 HydrophobicContact CH2-CG 4.45Å; W188-F338 HydrophobicContact CZ2-CB 4.49Å; W188-F338 HydrophobicContact CZ2-CD1 4.43Å
189G94.6Very high95.3Very high33 Ų3332.1 Ų32.134%0.3417%0.169SC..THydrogen-bonded Turntrans-82.40.2175.800000114.8P185 W187 K191P185-G189 WeakPolarHBondContact O-CA 3.33Å; P185-G189 PolarHBondContact O-N 2.93Å; W187-G189 VanDerWaalsContact C-N 3.3Å; W187-G189 PolarHBondContact O-N 3.12Å; G189-K191 WeakPolarHBondContact O-CG 3.48Å; G189-K191 PolarHBondContact O-N 3.42Å; G189-K191 VanDerWaalsContact O-N 3.11Å
190L95.4Very high95.3Very high0 Ų031.7 Ų31.70%017%0.167CC..THydrogen-bonded Turntrans56.817.1-170.8-52.1-177.7000114.8T186 W187 W188 N219 V222 A223 F226 L318 A329 V331T186-L190 CarbonylContact O-C 3.29Å; T186-L190 PolarHBondContact O-N 3.02Å; W187-L190 PolarHBondContact O-N 2.91Å; W187-L190 VanDerWaalsContact O-N 3.13Å; W188-L190 VanDerWaalsContact C-N 3.3Å; W188-L190 PolarHBondContact O-N 3.01Å; L190-N219 HydrophobicContact CB-CB 4.27Å; L190-N219 WeakPolarHBondContact O-CA 3.44Å; L190-N219 PolarHBondContact O-OD1 3.43Å; L190-V222 HydrophobicContact CB-CB 4.32Å; L190-V222 HydrophobicContact CB-CG1 4.35Å; L190-V222 HydrophobicContact CD2-CB 4.42Å; L190-V222 HydrophobicContact CD2-CG1 3.83Å; L190-V222 WeakPolarHBondContact O-CG2 3.3Å; L190-A223 HydrophobicContact CD1-CB 4.34Å; L190-F226 HydrophobicContact CD2-CD2 3.87Å; L190-F226 HydrophobicContact CD2-CE2 3.56Å; L190-L318 HydrophobicContact CD1-CD2 4.44Å; L190-A329 HydrophobicContact CD1-CB 3.82Å; L190-V331 HydrophobicContact CD2-CG2 3.88Å; L190-V331 HydrophobicContact CG-CG2 4.13Å
191K95.5Very high95.2Very high117 Ų11731.7 Ų31.751%0.50917%0.167SC..  trans-95.27.7-177-64-173.8-177.6-177.30114.1T186 G189 L193 H194T186-K191 PolarHBondContact O-N 3.36Å; G189-K191 WeakPolarHBondContact O-CG 3.48Å; G189-K191 PolarHBondContact O-N 3.42Å; G189-K191 VanDerWaalsContact O-N 3.11Å; K191-L193 VanDerWaalsContact C-N 3.34Å; K191-L193 PolarHBondContact O-N 2.98Å; K191-H194 VanDerWaalsContact O-CB 3.29Å; K191-H194 WeakPolarHBondContact O-CB 3.17Å; K191-H194 PolarHBondContact O-N 3.49Å; K191-H194 VanDerWaalsContact O-N 3.14Å
192A96.2Very high95.3Very high0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-58.3-43.8-174.900000113T186 W187 H194 W195 H196 V222 M437T186-A192 PolarHBondContact O-N 2.94Å; T186-A192 VanDerWaalsContact O-N 3.09Å; W187-A192 HydrophobicContact CD2-CB 3.69Å; W187-A192 HydrophobicContact CE3-CB 3.11Å; W187-A192 HydrophobicContact CH2-CB 3.63Å; W187-A192 HydrophobicContact CZ2-CB 4.17Å; W187-A192 HydrophobicContact CZ3-CB 3.08Å; A192-H194 PolarHBondContact O-N 3.15Å; A192-W195 PolarHBondContact O-N 2.96Å; A192-W195 VanDerWaalsContact O-N 3.14Å; A192-H196 WeakPolarHBondContact O-CB 3.49Å; A192-H196 PolarHBondContact O-N 3.02Å; A192-V222 HydrophobicContact CB-CG2 4.04Å; A192-M437 HydrophobicContact CB-CE 3.6Å; A192-M437 WeakPolarHBondContact O-CE 3.18Å
193L96.2Very high95.5Very high24 Ų2429.6 Ų29.613%0.12615%0.154CC..Hα-helixtrans-72.4-12.2179.8-71.1177.4000114.5K191 W195 H196 Y197 H218 C221 V222K191-L193 VanDerWaalsContact C-N 3.34Å; K191-L193 PolarHBondContact O-N 2.98Å; L193-W195 PolarHBondContact O-N 3.32Å; L193-H196 HydrophobicContact CD2-CB 3.83Å; L193-Y197 HydrophobicContact CB-CE2 4.03Å; L193-Y197 HydrophobicContact CD2-CE1 4.46Å; L193-Y197 HydrophobicContact CD2-CE2 4.45Å; L193-Y197 WeakPolarHBondContact O-CD2 3.37Å; L193-Y197 WeakPolarHBondContact O-CE2 3.5Å; L193-H218 HydrophobicContact CB-CB 4.02Å; L193-C221 HydrophobicContact CD1-CB 3.3Å; L193-V222 HydrophobicContact CB-CG2 3.93Å; L193-V222 HydrophobicContact CD1-CG2 3.85Å; L193-V222 HydrophobicContact CG-CG2 3.62Å
194H95.8Very high95.7Very high50 Ų5025.8 Ų25.823%0.23113%0.134CC..Hα-helixtrans-63.2-26.7169.7-66.3-125.7000111.1K191 A192 H211 G215 H218 N219K191-H194 VanDerWaalsContact O-CB 3.29Å; K191-H194 WeakPolarHBondContact O-CB 3.17Å; K191-H194 PolarHBondContact O-N 3.49Å; K191-H194 VanDerWaalsContact O-N 3.14Å; A192-H194 PolarHBondContact O-N 3.15Å; H194-H211 PolarHBondContact O-CE1 3.47Å; H194-H211 PolarHBondContact O-ND1 2.93Å; H194-G215 VanDerWaalsContact CE1-CA 3.47Å; H194-G215 WeakPolarHBondContact CE1-CA 3.26Å; H194-G215 PolarHBondContact NE2-O 3.48Å; H194-G215 VanDerWaalsContact NE2-O 3.12Å; H194-H218 VanDerWaalsContact CD2-CB 3.48Å; H194-H218 WeakPolarHBondContact CD2-CB 3.46Å; H194-H218 AromaticContact CD2-ND1 3.78Å; H194-H218 AromaticContact CG-ND1 3.82Å; H194-N219 PolarHBondContact NE2-OD1 3.41Å
195W95.3Very high95.8Very high74 Ų7426.8 Ų26.828%0.2814%0.14SC..Hα-helixtrans-109-36.5-177.4-55103000112.6A192 L193 Y197 Q198 S199 M437 V440 G441A192-W195 PolarHBondContact O-N 2.96Å; A192-W195 VanDerWaalsContact O-N 3.14Å; L193-W195 PolarHBondContact O-N 3.32Å; W195-Y197 VanDerWaalsContact C-N 3.33Å; W195-Y197 PolarHBondContact O-N 3.39Å; W195-Q198 VanDerWaalsContact O-CG 3.25Å; W195-Q198 WeakPolarHBondContact O-CG 3.33Å; W195-Q198 PolarHBondContact O-N 2.9Å; W195-S199 WeakPolarHBondContact O-CB 3.24Å; W195-S199 PolarHBondContact O-N 2.83Å; W195-S199 PolarHBondContact O-OG 2.9Å; W195-M437 HydrophobicContact CB-CG 4.26Å; W195-V440 HydrophobicContact CD2-CG1 4.29Å; W195-V440 HydrophobicContact CG-CG2 4.48Å; W195-V440 HydrophobicContact CZ2-CG1 4.29Å; W195-G441 VanDerWaalsContact CE3-N 3.26Å
196H96.1Very high95.9Very high22 Ų2224.7 Ų24.710%0.10213%0.125CC..Hα-helixtrans-55.9-42.2-167.5-172.857.5000114.2A192 L193 Q198 S199 Q200 Y264 M437A192-H196 WeakPolarHBondContact O-CB 3.49Å; A192-H196 PolarHBondContact O-N 3.02Å; L193-H196 HydrophobicContact CD2-CB 3.83Å; H196-Q198 PolarHBondContact O-N 3.28Å; H196-S199 PolarHBondContact O-N 2.78Å; H196-Q200 VanDerWaalsContact O-CB 3.32Å; H196-Q200 WeakPolarHBondContact O-CB 3.44Å; H196-Q200 WeakPolarHBondContact O-CG 3.27Å; H196-Q200 PolarHBondContact O-N 2.82Å; H196-Y264 PolarHBondContact CE1-OH 2.9Å; H196-Y264 PolarHBondContact NE2-OH 3.07Å; H196-Y264 VanDerWaalsContact NE2-OH 3.12Å; H196-M437 HydrophobicContact CB-CE 3.71Å; H196-M437 HydrophobicContact CB-SD 3.99Å
197Y96.5Very high96Very high22 Ų2224 Ų249%0.08612%0.121CC..Hα-helixtrans-58.8-35.9-175.6-66.3-59.1000112.9L193 W195 Q200 A207 A210 H211 H218 T261L193-Y197 HydrophobicContact CB-CE2 4.03Å; L193-Y197 HydrophobicContact CD2-CE1 4.46Å; L193-Y197 HydrophobicContact CD2-CE2 4.45Å; L193-Y197 WeakPolarHBondContact O-CD2 3.37Å; L193-Y197 WeakPolarHBondContact O-CE2 3.5Å; W195-Y197 VanDerWaalsContact C-N 3.33Å; W195-Y197 PolarHBondContact O-N 3.39Å; Y197-Q200 WeakPolarHBondContact O-CG 3.46Å; Y197-Q200 PolarHBondContact O-NE2 2.77Å; Y197-A207 HydrophobicContact CD1-CB 4.48Å; Y197-A210 HydrophobicContact CD1-CB 3.84Å; Y197-A210 HydrophobicContact CD2-CB 4.2Å; Y197-A210 HydrophobicContact CE1-CB 3.7Å; Y197-A210 HydrophobicContact CE2-CB 4.06Å; Y197-A210 HydrophobicContact CG-CB 4.09Å; Y197-H211 HydrophobicContact CD2-CB 4.45Å; Y197-H218 AromaticContact CE2-CD2 3.69Å; Y197-H218 AromaticContact CE2-NE2 3.74Å; Y197-T261 HydrophobicContact CD1-CG2 4.19Å; Y197-T261 HydrophobicContact CE1-CG2 3.85Å
198Q95.5Very high96Very high2 Ų223.7 Ų23.71%0.00912%0.12CC..Hα-helixtrans-92-29.8176.763.3169.133.700113.2W195 H196 H211 R443 F541 W551W195-Q198 VanDerWaalsContact O-CG 3.25Å; W195-Q198 WeakPolarHBondContact O-CG 3.33Å; W195-Q198 PolarHBondContact O-N 2.9Å; H196-Q198 PolarHBondContact O-N 3.28Å; Q198-H211 PolarHBondContact OE1-NE2 3.42Å; Q198-R443 WeakPolarHBondContact O-CD 3.19Å; Q198-F541 HydrophobicContact CB-CD2 3.52Å; Q198-F541 HydrophobicContact CB-CE2 3.58Å; Q198-F541 HydrophobicContact CB-CG 4.13Å; Q198-F541 HydrophobicContact CB-CZ 4.26Å; Q198-W551 HydrophobicContact CB-CH2 4.44Å; Q198-W551 HydrophobicContact CB-CZ3 4.17Å
199S95.5Very high96Very high1 Ų127.7 Ų27.71%0.00714%0.136CC..Hα-helixtrans-87-17.3-174.273.10000114.9W195 H196 T438 W489W195-S199 WeakPolarHBondContact O-CB 3.24Å; W195-S199 PolarHBondContact O-N 2.83Å; W195-S199 PolarHBondContact O-OG 2.9Å; H196-S199 PolarHBondContact O-N 2.78Å; S199-T438 WeakPolarHBondContact CB-O 3.45Å; S199-T438 PolarHBondContact OG-O 2.93Å; S199-W489 PolarHBondContact O-NE1 2.95Å
200Q94.7Very high96.1Very high3 Ų326.5 Ų26.51%0.01412%0.123CC..SBendtrans-57.9149.1176.359.4175.1-41.700113.2H196 Y197 I202 P203 A207 T261 Y264 R443H196-Q200 VanDerWaalsContact O-CB 3.32Å; H196-Q200 WeakPolarHBondContact O-CB 3.44Å; H196-Q200 WeakPolarHBondContact O-CG 3.27Å; H196-Q200 PolarHBondContact O-N 2.82Å; Y197-Q200 WeakPolarHBondContact O-CG 3.46Å; Y197-Q200 PolarHBondContact O-NE2 2.77Å; Q200-I202 PolarHBondContact O-N 3.12Å; Q200-P203 HydrophobicContact CG-CB 3.95Å; Q200-A207 VanDerWaalsContact NE2-CB 3.34Å; Q200-T261 PolarHBondContact NE2-O 3.31Å; Q200-T261 PolarHBondContact OE1-O 3.45Å; Q200-Y264 PolarHBondContact OE1-OH 3.35Å; Q200-R443 PolarHBondContact O-NH1 3Å
201C94.2Very high96.2Very high2 Ų228.2 Ų28.21%0.01413%0.131CC..SBendtrans-49.1-57.5-171.3-172.50000115.7R443 W486 W489C201-R443 PolarHBondContact O-NH1 3.04Å; C201-R443 VanDerWaalsContact O-NH1 3.14Å; C201-R443 PolarHBondContact O-NH2 3.46Å; C201-W486 HydrophobicContact CB-CD2 3.84Å; C201-W486 HydrophobicContact CB-CE3 3.78Å; C201-W486 HydrophobicContact CB-CH2 3.84Å; C201-W486 HydrophobicContact CB-CZ2 3.87Å; C201-W486 HydrophobicContact CB-CZ3 3.78Å; C201-W486 VanDerWaalsContact SG-CA 3.55Å; C201-W486 VanDerWaalsContact SG-CG 3.56Å; C201-W489 HydrophobicContact CB-CB 4.31Å; C201-W489 HydrophobicContact CB-CD2 4.05Å; C201-W489 HydrophobicContact CB-CG 3.94Å; C201-W489 WeakPolarHBondContact SG-CB 3.28Å
202I96.7Very high96.2Very high2 Ų225.3 Ų25.31%0.0112%0.119CC..SBendtrans-13289.6-178.8-53.6178.3000108.3Q200 N263 F465 P475 P482 D485Q200-I202 PolarHBondContact O-N 3.12Å; I202-N263 HydrophobicContact CB-CB 4.12Å; I202-N263 HydrophobicContact CG2-CB 4.11Å; I202-N263 PolarHBondContact O-N 3.24Å; I202-N263 PolarHBondContact O-ND2 2.72Å; I202-F465 HydrophobicContact CD1-CB 4.02Å; I202-F465 HydrophobicContact CG2-CB 4.36Å; I202-P475 HydrophobicContact CG2-CG 3.97Å; I202-P482 HydrophobicContact CD1-CB 4.21Å; I202-P482 HydrophobicContact CD1-CG 3.79Å; I202-D485 HydrophobicContact CD1-CB 4.24Å
203P97.4Very high96.2Very high1 Ų128.9 Ų28.91%0.00614%0.138CC..BIsolated β-bridgetrans-66.9155.9176.827.5-32.2000111.4Q200 A207 P474 F541 W551Q200-P203 HydrophobicContact CG-CB 3.95Å; P203-A207 HydrophobicContact CB-CB 3.82Å; P203-P474 HydrophobicContact CG-CB 4.29Å; P203-P474 WeakPolarHBondContact O-CB 3.35Å; P203-F541 HydrophobicContact CB-CZ 4.09Å; P203-F541 HydrophobicContact CG-CZ 4.24Å; P203-W551 HydrophobicContact CG-CH2 3.97Å; P203-W551 HydrophobicContact CG-CZ2 3.69Å
204T97.4Very high96.1Very high2 Ų230.8 Ų30.81%0.01215%0.151CC..  trans-93.217216867.80000110.1V206 A207 L260 T261 N263 V476T204-V206 PolarHBondContact O-N 3.17Å; T204-V206 PolarHBondContact OG1-N 3.15Å; T204-A207 WeakPolarHBondContact O-CB 3.38Å; T204-A207 PolarHBondContact O-N 3.32Å; T204-A207 VanDerWaalsContact O-N 3.12Å; T204-L260 WeakPolarHBondContact CB-O 3.31Å; T204-L260 PolarHBondContact OG1-O 3.27Å; T204-T261 PolarHBondContact N-O 2.9Å; T204-T261 VanDerWaalsContact OG1-CA 3.26Å; T204-T261 WeakPolarHBondContact OG1-CA 3.23Å; T204-T261 PolarHBondContact OG1-O 3.4Å; T204-N263 WeakPolarHBondContact CG2-ND2 3.43Å; T204-V476 HydrophobicContact CG2-CG2 4.35Å
205P96.5Very high96Very high31 Ų3129.8 Ų29.820%0.20116%0.155CC..Hα-helixtrans-57.2-34.3173.3-24.734.4000112.9A207 W208 Y209 T473 P474 W550P205-A207 PolarHBondContact O-N 3.47Å; P205-W208 WeakPolarHBondContact O-CB 3.49Å; P205-W208 PolarHBondContact O-N 3.2Å; P205-Y209 WeakPolarHBondContact O-CD2 3.17Å; P205-T473 HydrophobicContact CB-CG2 4.27Å; P205-T473 HydrophobicContact CG-CG2 3.85Å; P205-P474 WeakPolarHBondContact CD-O 3.47Å; P205-P474 WeakPolarHBondContact CG-O 3.41Å; P205-W550 HydrophobicContact CB-CH2 4.2Å; P205-W550 HydrophobicContact CB-CZ3 4.36Å
206V97.2Very high95.9Very high65 Ų6530.5 Ų30.539%0.39416%0.158SC..Hα-helixtrans-65.2-28.5-179.4-175.10000111.5T204 W208 Y209 A210 L260 T261T204-V206 PolarHBondContact O-N 3.17Å; T204-V206 PolarHBondContact OG1-N 3.15Å; V206-W208 VanDerWaalsContact C-N 3.27Å; V206-W208 PolarHBondContact O-N 3.22Å; V206-Y209 PolarHBondContact O-N 3.44Å; V206-A210 WeakPolarHBondContact O-CB 3.19Å; V206-A210 PolarHBondContact O-N 2.92Å; V206-L260 VanDerWaalsContact CB-O 3.32Å; V206-L260 WeakPolarHBondContact CB-O 3.3Å; V206-T261 HydrophobicContact CG1-CG2 4.32Å
207A97.5Very high95.9Very high0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-62.4-33.3176.100000113.3Y197 Q200 P203 T204 P205 A210 H211 T261 F541Y197-A207 HydrophobicContact CD1-CB 4.48Å; Q200-A207 VanDerWaalsContact NE2-CB 3.34Å; P203-A207 HydrophobicContact CB-CB 3.82Å; T204-A207 WeakPolarHBondContact O-CB 3.38Å; T204-A207 PolarHBondContact O-N 3.32Å; T204-A207 VanDerWaalsContact O-N 3.12Å; P205-A207 PolarHBondContact O-N 3.47Å; A207-A210 PolarHBondContact O-N 3.45Å; A207-H211 VanDerWaalsContact O-CB 3.28Å; A207-H211 WeakPolarHBondContact O-CB 3.3Å; A207-H211 PolarHBondContact O-N 3.34Å; A207-T261 WeakPolarHBondContact CB-O 3.47Å; A207-F541 HydrophobicContact CB-CE2 4.3Å; A207-F541 HydrophobicContact CB-CZ 4.2Å
208W96.5Very high95.8Very high8 Ų830.8 Ų30.83%0.0316%0.161CC..Hα-helixtrans-61.9-46.7174.1-176.7102000110.1P205 V206 A210 H211 H212 F541 T542 F545 W550P205-W208 WeakPolarHBondContact O-CB 3.49Å; P205-W208 PolarHBondContact O-N 3.2Å; V206-W208 VanDerWaalsContact C-N 3.27Å; V206-W208 PolarHBondContact O-N 3.22Å; W208-A210 PolarHBondContact O-N 2.91Å; W208-H211 WeakPolarHBondContact O-CB 3.47Å; W208-H211 PolarHBondContact O-N 2.9Å; W208-H212 AromaticContact CD2-CE1 3.8Å; W208-H212 AromaticContact CD2-ND1 3.75Å; W208-H212 AromaticContact CE2-CE1 3.37Å; W208-H212 AromaticContact CE2-ND1 3.74Å; W208-H212 AromaticContact CE3-ND1 3.9Å; W208-H212 AromaticContact CH2-ND1 3.95Å; W208-H212 AromaticContact CZ2-CE1 3.51Å; W208-H212 AromaticContact CZ2-ND1 3.85Å; W208-H212 AromaticContact CZ3-ND1 3.98Å; W208-H212 AromaticContact NE1-CE1 3.66Å; W208-H212 PolarHBondContact O-N 3.31Å; W208-H212 PolarHBondContact O-ND1 3.15Å; W208-F541 HydrophobicContact CB-CD1 4.24Å; W208-F541 HydrophobicContact CB-CD2 4.4Å; W208-F541 HydrophobicContact CB-CE1 4.15Å; W208-F541 HydrophobicContact CB-CE2 4.35Å; W208-F541 HydrophobicContact CB-CG 4.36Å; W208-F541 HydrophobicContact CB-CZ 4.23Å; W208-F541 AromaticContact CD1-CD1 3.49Å; W208-F541 VanDerWaalsContact CD1-CD1 3.49Å; W208-F541 AromaticContact CD1-CG 3.56Å; W208-F541 HydrophobicContact CG-CB 4.44Å; W208-F541 HydrophobicContact CG-CD1 4.22Å; W208-F541 HydrophobicContact CG-CG 4.2Å; W208-T542 VanDerWaalsContact CE2-O 3.31Å; W208-T542 WeakPolarHBondContact CZ2-O 3.43Å; W208-T542 PolarHBondContact NE1-O 3.46Å; W208-T542 PolarHBondContact NE1-OG1 3.23Å; W208-F545 HydrophobicContact CH2-CB 4.43Å; W208-F545 AromaticContact CH2-CD1 3.5Å; W208-F545 HydrophobicContact CH2-CD1 3.5Å; W208-F545 VanDerWaalsContact CH2-CD1 3.5Å; W208-F545 HydrophobicContact CH2-CD2 4.04Å; W208-F545 AromaticContact CH2-CE1 3.65Å; W208-F545 HydrophobicContact CH2-CE1 3.65Å; W208-F545 HydrophobicContact CH2-CE2 4.12Å; W208-F545 AromaticContact CH2-CG 3.72Å; W208-F545 HydrophobicContact CH2-CG 3.72Å; W208-F545 AromaticContact CH2-CZ 3.93Å; W208-F545 HydrophobicContact CH2-CZ 3.93Å; W208-F545 AromaticContact CZ3-CD1 3.51Å; W208-F545 HydrophobicContact CZ3-CD1 3.51Å; W208-F545 AromaticContact CZ3-CE1 3.32Å; W208-F545 HydrophobicContact CZ3-CE1 3.32Å; W208-F545 HydrophobicContact CZ3-CE2 4.49Å; W208-F545 HydrophobicContact CZ3-CG 4.22Å; W208-F545 AromaticContact CZ3-CZ 3.84Å; W208-F545 HydrophobicContact CZ3-CZ 3.84Å; W208-W550 HydrophobicContact CB-CE3 3.88Å; W208-W550 HydrophobicContact CB-CZ3 3.78Å; W208-W550 AromaticContact CD1-CE3 3.88Å; W208-W550 HydrophobicContact CD2-CE3 4.47Å; W208-W550 HydrophobicContact CD2-CZ3 4.37Å; W208-W550 AromaticContact CG-CE3 3.81Å; W208-W550 HydrophobicContact CG-CE3 3.81Å; W208-W550 AromaticContact CG-CZ3 3.94Å; W208-W550 HydrophobicContact CG-CZ3 3.94Å
209Y96Very high95.8Very high122 Ų12232 Ų3248%0.47817%0.167SC..Hα-helixtrans-65.4-41.4176.7-64.8-81.1000112.3P205 V206 H211 H212 F545 W550P205-Y209 WeakPolarHBondContact O-CD2 3.17Å; V206-Y209 PolarHBondContact O-N 3.44Å; Y209-H211 VanDerWaalsContact C-N 3.3Å; Y209-H211 PolarHBondContact O-N 2.86Å; Y209-H212 PolarHBondContact O-N 3.43Å; Y209-F545 AromaticContact CD1-CE1 3.85Å; Y209-F545 HydrophobicContact CD1-CE1 3.85Å; Y209-F545 HydrophobicContact CE1-CD1 4.12Å; Y209-F545 AromaticContact CE1-CE1 3.77Å; Y209-F545 HydrophobicContact CE1-CE1 3.77Å; Y209-W550 HydrophobicContact CE2-CH2 4.39Å
210A96.9Very high95.8Very high9 Ų934.5 Ų34.57%0.07418%0.18CC..Hα-helixtrans-65.4-33.7178.300000112.3Y197 V206 A207 W208 H212 L213 H218 T261Y197-A210 HydrophobicContact CD1-CB 3.84Å; Y197-A210 HydrophobicContact CD2-CB 4.2Å; Y197-A210 HydrophobicContact CE1-CB 3.7Å; Y197-A210 HydrophobicContact CE2-CB 4.06Å; Y197-A210 HydrophobicContact CG-CB 4.09Å; V206-A210 WeakPolarHBondContact O-CB 3.19Å; V206-A210 PolarHBondContact O-N 2.92Å; A207-A210 PolarHBondContact O-N 3.45Å; W208-A210 PolarHBondContact O-N 2.91Å; A210-H212 VanDerWaalsContact C-N 3.29Å; A210-H212 PolarHBondContact O-N 3.04Å; A210-L213 WeakPolarHBondContact O-CB 3.45Å; A210-L213 PolarHBondContact O-N 3.4Å; A210-H218 PolarHBondContact O-NE2 2.69Å; A210-T261 HydrophobicContact CB-CG2 4.11Å
211H96.3Very high95.8Very high35 Ų3536.9 Ų36.916%0.16220%0.197CC..Hα-helixtrans-62.9-34.8175.9-176.365.1000112.6H194 Y197 Q198 A207 W208 Y209 L213 H218 F541H194-H211 PolarHBondContact O-CE1 3.47Å; H194-H211 PolarHBondContact O-ND1 2.93Å; Y197-H211 HydrophobicContact CD2-CB 4.45Å; Q198-H211 PolarHBondContact OE1-NE2 3.42Å; A207-H211 VanDerWaalsContact O-CB 3.28Å; A207-H211 WeakPolarHBondContact O-CB 3.3Å; A207-H211 PolarHBondContact O-N 3.34Å; W208-H211 WeakPolarHBondContact O-CB 3.47Å; W208-H211 PolarHBondContact O-N 2.9Å; Y209-H211 VanDerWaalsContact C-N 3.3Å; Y209-H211 PolarHBondContact O-N 2.86Å; H211-L213 VanDerWaalsContact C-N 3.31Å; H211-L213 PolarHBondContact O-N 3.06Å; H211-H218 PolarHBondContact O-CE1 3.18Å; H211-F541 HydrophobicContact CB-CD2 3.67Å; H211-F541 HydrophobicContact CB-CE2 4.07Å; H211-F541 AromaticContact CD2-CD2 3.83Å; H211-F541 AromaticContact CG-CD2 3.75Å
212H95.9Very high95.9Very high56 Ų5636.9 Ų36.926%0.25920%0.196SC..THydrogen-bonded Turntrans-85.51.5-179.4-66.695.2000114.2W208 Y209 A210 T542W208-H212 AromaticContact CD2-CE1 3.8Å; W208-H212 AromaticContact CD2-ND1 3.75Å; W208-H212 AromaticContact CE2-CE1 3.37Å; W208-H212 AromaticContact CE2-ND1 3.74Å; W208-H212 AromaticContact CE3-ND1 3.9Å; W208-H212 AromaticContact CH2-ND1 3.95Å; W208-H212 AromaticContact CZ2-CE1 3.51Å; W208-H212 AromaticContact CZ2-ND1 3.85Å; W208-H212 AromaticContact CZ3-ND1 3.98Å; W208-H212 AromaticContact NE1-CE1 3.66Å; W208-H212 PolarHBondContact O-N 3.31Å; W208-H212 PolarHBondContact O-ND1 3.15Å; Y209-H212 PolarHBondContact O-N 3.43Å; A210-H212 VanDerWaalsContact C-N 3.29Å; A210-H212 PolarHBondContact O-N 3.04Å; H212-T542 PolarHBondContact CE1-O 3.44Å; H212-T542 PolarHBondContact NE2-O 2.96Å; H212-T542 VanDerWaalsContact NE2-O 3.12Å
213L95.4Very high95.8Very high75 Ų7536.9 Ų36.939%0.39320%0.197SC..SBendtrans-62.9148.7171.3-68.5171.7000110.7A210 H211 G215 I217 H218A210-L213 WeakPolarHBondContact O-CB 3.45Å; A210-L213 PolarHBondContact O-N 3.4Å; H211-L213 VanDerWaalsContact C-N 3.31Å; H211-L213 PolarHBondContact O-N 3.06Å; L213-G215 PolarHBondContact O-N 3.47Å; L213-I217 HydrophobicContact CD1-CG2 4.41Å; L213-H218 PolarHBondContact O-CE1 3.5Å; L213-H218 PolarHBondContact O-NE2 2.71Å
214P94.8Very high95.6Very high64 Ų6438 Ų3842%0.41621%0.209SC..  trans-51.6136.6176.3-28.332.8000112.9W216 I217 H218P214-W216 HydrophobicContact CB-CG 4.41Å; P214-W216 VanDerWaalsContact CB-NE1 3.35Å; P214-W216 PolarHBondContact O-N 3.19Å; P214-I217 HydrophobicContact CB-CD1 4.43Å; P214-I217 HydrophobicContact CB-CG1 4.31Å; P214-I217 HydrophobicContact CG-CD1 4.19Å; P214-I217 WeakPolarHBondContact O-CA 3.18Å; P214-I217 VanDerWaalsContact O-CB 3.29Å; P214-I217 WeakPolarHBondContact O-CB 3.37Å; P214-I217 PolarHBondContact O-N 2.65Å; P214-H218 PolarHBondContact O-N 2.99Å
215G93.3Very high95.6Very high29 Ų2938.8 Ų38.830%0.29922%0.215SC..Hα-helixtrans-59.4-24.2-17400000115.3H194 L213 I217 H218 N219H194-G215 VanDerWaalsContact CE1-CA 3.47Å; H194-G215 WeakPolarHBondContact CE1-CA 3.26Å; H194-G215 PolarHBondContact NE2-O 3.48Å; H194-G215 VanDerWaalsContact NE2-O 3.12Å; L213-G215 PolarHBondContact O-N 3.47Å; G215-I217 VanDerWaalsContact C-N 3.32Å; G215-H218 PolarHBondContact O-N 3.25Å; G215-N219 VanDerWaalsContact O-CG 3.28Å; G215-N219 PolarHBondContact O-N 3.29Å; G215-N219 VanDerWaalsContact O-N 3.11Å; G215-N219 PolarHBondContact O-OD1 2.89Å
216W93.5Very high95.5Very high90 Ų9037.9 Ų37.934%0.34121%0.208SC..Hα-helixtrans-67.3-33.617368.2-96.4000112P214 N219 L220 V327P214-W216 HydrophobicContact CB-CG 4.41Å; P214-W216 VanDerWaalsContact CB-NE1 3.35Å; P214-W216 PolarHBondContact O-N 3.19Å; W216-N219 PolarHBondContact O-N 3.31Å; W216-L220 HydrophobicContact CE3-CD1 3.63Å; W216-L220 HydrophobicContact CE3-CG 4.31Å; W216-L220 HydrophobicContact CZ3-CD1 3.54Å; W216-L220 WeakPolarHBondContact O-CG 3.39Å; W216-L220 PolarHBondContact O-N 3.04Å; W216-V327 HydrophobicContact CE3-CB 4.18Å; W216-V327 HydrophobicContact CE3-CG2 4.39Å; W216-V327 HydrophobicContact CZ3-CG2 4.32Å
217I95.3Very high95.4Very high44 Ų4435.6 Ų35.623%0.22619%0.194CC..Hα-helixtrans-64.7-43.4173.4-59-174.9000109.8L213 P214 G215 N219 L220 C221L213-I217 HydrophobicContact CD1-CG2 4.41Å; P214-I217 HydrophobicContact CB-CD1 4.43Å; P214-I217 HydrophobicContact CB-CG1 4.31Å; P214-I217 HydrophobicContact CG-CD1 4.19Å; P214-I217 WeakPolarHBondContact O-CA 3.18Å; P214-I217 VanDerWaalsContact O-CB 3.29Å; P214-I217 WeakPolarHBondContact O-CB 3.37Å; P214-I217 PolarHBondContact O-N 2.65Å; G215-I217 VanDerWaalsContact C-N 3.32Å; I217-N219 VanDerWaalsContact C-N 3.31Å; I217-N219 PolarHBondContact O-N 2.82Å; I217-L220 WeakPolarHBondContact O-CB 3.43Å; I217-L220 PolarHBondContact O-N 2.97Å; I217-C221 PolarHBondContact O-N 3Å; I217-C221 PolarHBondContact O-SG 3.35Å
218H96.2Very high95.3Very high6 Ų636.8 Ų36.83%0.02820%0.2CC..Hα-helixtrans-59.1-42.7175.7-61.5154.6000112L193 H194 Y197 A210 H211 L213 P214 G215 L220 C221 V222L193-H218 HydrophobicContact CB-CB 4.02Å; H194-H218 VanDerWaalsContact CD2-CB 3.48Å; H194-H218 WeakPolarHBondContact CD2-CB 3.46Å; H194-H218 AromaticContact CD2-ND1 3.78Å; H194-H218 AromaticContact CG-ND1 3.82Å; Y197-H218 AromaticContact CE2-CD2 3.69Å; Y197-H218 AromaticContact CE2-NE2 3.74Å; A210-H218 PolarHBondContact O-NE2 2.69Å; H211-H218 PolarHBondContact O-CE1 3.18Å; L213-H218 PolarHBondContact O-CE1 3.5Å; L213-H218 PolarHBondContact O-NE2 2.71Å; P214-H218 PolarHBondContact O-N 2.99Å; G215-H218 PolarHBondContact O-N 3.25Å; H218-L220 VanDerWaalsContact C-N 3.34Å; H218-L220 PolarHBondContact O-N 2.9Å; H218-C221 PolarHBondContact O-N 2.96Å; H218-V222 WeakPolarHBondContact O-CG2 3.39Å; H218-V222 PolarHBondContact O-N 3.03Å
219N95.4Very high95.4Very high26 Ų2637.3 Ų37.314%0.13920%0.202CC..Hα-helixtrans-61.4-44.1177-62.4-6.3000111.3L190 H194 G215 W216 I217 V222 A223 A329L190-N219 HydrophobicContact CB-CB 4.27Å; L190-N219 WeakPolarHBondContact O-CA 3.44Å; L190-N219 PolarHBondContact O-OD1 3.43Å; H194-N219 PolarHBondContact NE2-OD1 3.41Å; G215-N219 VanDerWaalsContact O-CG 3.28Å; G215-N219 PolarHBondContact O-N 3.29Å; G215-N219 VanDerWaalsContact O-N 3.11Å; G215-N219 PolarHBondContact O-OD1 2.89Å; W216-N219 PolarHBondContact O-N 3.31Å; I217-N219 VanDerWaalsContact C-N 3.31Å; I217-N219 PolarHBondContact O-N 2.82Å; N219-V222 PolarHBondContact O-N 3.19Å; N219-A223 WeakPolarHBondContact O-CB 3.28Å; N219-A223 PolarHBondContact O-N 2.96Å; N219-A329 HydrophobicContact CB-CB 4.32Å
220L93.9Very high95.3Very high54 Ų5431.9 Ų31.928%0.28318%0.182SC..Hα-helixtrans-62.5-39.9174.6-69.6-175.4000112.4W216 I217 H218 A223 G224 F320 V327 A329W216-L220 HydrophobicContact CE3-CD1 3.63Å; W216-L220 HydrophobicContact CE3-CG 4.31Å; W216-L220 HydrophobicContact CZ3-CD1 3.54Å; W216-L220 WeakPolarHBondContact O-CG 3.39Å; W216-L220 PolarHBondContact O-N 3.04Å; I217-L220 WeakPolarHBondContact O-CB 3.43Å; I217-L220 PolarHBondContact O-N 2.97Å; H218-L220 VanDerWaalsContact C-N 3.34Å; H218-L220 PolarHBondContact O-N 2.9Å; L220-A223 WeakPolarHBondContact O-CB 3.25Å; L220-A223 PolarHBondContact O-N 3.39Å; L220-G224 PolarHBondContact O-N 2.97Å; L220-F320 HydrophobicContact CD2-CD1 4.03Å; L220-F320 HydrophobicContact CD2-CE1 3.57Å; L220-V327 HydrophobicContact CD1-CB 4.15Å; L220-V327 HydrophobicContact CD1-CG2 4.5Å; L220-V327 HydrophobicContact CD2-CB 4.27Å; L220-V327 HydrophobicContact CD2-CG1 3.88Å; L220-V327 HydrophobicContact CG-CB 4.49Å; L220-A329 HydrophobicContact CD2-CB 4.26Å
221C95.5Very high95.3Very high54 Ų5432.4 Ų32.437%0.36518%0.184SC..Hα-helixtrans-66.1-38.6177.1-70.40000112L193 I217 H218 G224 A225L193-C221 HydrophobicContact CD1-CB 3.3Å; I217-C221 PolarHBondContact O-N 3Å; I217-C221 PolarHBondContact O-SG 3.35Å; H218-C221 PolarHBondContact O-N 2.96Å; C221-G224 PolarHBondContact O-N 3.46Å; C221-A225 WeakPolarHBondContact O-CB 3.44Å; C221-A225 PolarHBondContact O-N 3.15Å
222V96.1Very high95.2Very high1 Ų130.7 Ų30.71%0.00618%0.177CC..Hα-helixtrans-65.7-45.4173.7178.90000110.7W187 L190 A192 L193 H218 N219 G224 A225 F226W187-V222 HydrophobicContact CE3-CG1 4.1Å; W187-V222 HydrophobicContact CZ3-CG1 4.22Å; L190-V222 HydrophobicContact CB-CB 4.32Å; L190-V222 HydrophobicContact CB-CG1 4.35Å; L190-V222 HydrophobicContact CD2-CB 4.42Å; L190-V222 HydrophobicContact CD2-CG1 3.83Å; L190-V222 WeakPolarHBondContact O-CG2 3.3Å; A192-V222 HydrophobicContact CB-CG2 4.04Å; L193-V222 HydrophobicContact CB-CG2 3.93Å; L193-V222 HydrophobicContact CD1-CG2 3.85Å; L193-V222 HydrophobicContact CG-CG2 3.62Å; H218-V222 WeakPolarHBondContact O-CG2 3.39Å; H218-V222 PolarHBondContact O-N 3.03Å; N219-V222 PolarHBondContact O-N 3.19Å; V222-G224 PolarHBondContact O-N 3.21Å; V222-A225 PolarHBondContact O-N 2.88Å; V222-F226 HydrophobicContact CG1-CD2 4.25Å; V222-F226 HydrophobicContact CG1-CE2 3.81Å; V222-F226 HydrophobicContact CG1-CZ 3.96Å; V222-F226 PolarHBondContact O-N 3.27Å
223A95Very high95.3Very high2 Ų228 Ų282%0.01716%0.164CC..Hα-helixtrans-56.2-48.8173.500000111.8L190 N219 L220 A225 F226 I227 L318 F320L190-A223 HydrophobicContact CD1-CB 4.34Å; N219-A223 WeakPolarHBondContact O-CB 3.28Å; N219-A223 PolarHBondContact O-N 2.96Å; L220-A223 WeakPolarHBondContact O-CB 3.25Å; L220-A223 PolarHBondContact O-N 3.39Å; A223-A225 PolarHBondContact O-N 3.43Å; A223-F226 PolarHBondContact O-N 3.26Å; A223-I227 WeakPolarHBondContact O-CG1 3.13Å; A223-I227 PolarHBondContact O-N 3.32Å; A223-L318 HydrophobicContact CB-CD1 3.77Å; A223-F320 HydrophobicContact CB-CZ 4.4Å
224G94Very high95.2Very high25 Ų2527.4 Ų27.426%0.25816%0.161SC..Hα-helixtrans-60.7-42.1176.500000112.7L220 C221 V222 F226 I227 I228L220-G224 PolarHBondContact O-N 2.97Å; C221-G224 PolarHBondContact O-N 3.46Å; V222-G224 PolarHBondContact O-N 3.21Å; G224-F226 PolarHBondContact O-N 3.05Å; G224-I227 PolarHBondContact O-N 3.31Å; G224-I228 VanDerWaalsContact O-CG1 3.28Å; G224-I228 WeakPolarHBondContact O-CG1 3.31Å; G224-I228 PolarHBondContact O-N 3.47Å
225A95.6Very high95.2Very high19 Ų1924.9 Ų24.916%0.15714%0.144CC..Hα-helixtrans-59.8-44.517400000111.2C221 V222 A223 I227 I228 E229C221-A225 WeakPolarHBondContact O-CB 3.44Å; C221-A225 PolarHBondContact O-N 3.15Å; V222-A225 PolarHBondContact O-N 2.88Å; A223-A225 PolarHBondContact O-N 3.43Å; A225-I227 PolarHBondContact O-N 3.43Å; A225-I228 PolarHBondContact O-N 3.32Å; A225-E229 VanDerWaalsContact O-CB 3.25Å; A225-E229 WeakPolarHBondContact O-CB 3.42Å; A225-E229 VanDerWaalsContact O-CG 3.23Å; A225-E229 WeakPolarHBondContact O-CG 3.45Å; A225-E229 PolarHBondContact O-N 3.38Å
226F95.3Very high95.4Very high12 Ų1223.5 Ų23.55%0.05313%0.129CC..Hα-helixtrans-61-42.2175-70.8-27.4000112.9K179 L180 W187 L190 V222 A223 G224 I228 E229 I230 P231K179-F226 HydrophobicContact CB-CE1 4.01Å; K179-F226 HydrophobicContact CD-CE1 4.09Å; L180-F226 HydrophobicContact CD1-CE2 4.44Å; L180-F226 HydrophobicContact CD1-CZ 4.46Å; L180-F226 HydrophobicContact CD2-CE2 3.85Å; L180-F226 HydrophobicContact CD2-CZ 3.73Å; L180-F226 HydrophobicContact CG-CE1 4.23Å; L180-F226 HydrophobicContact CG-CE2 4.29Å; L180-F226 HydrophobicContact CG-CZ 3.95Å; W187-F226 HydrophobicContact CB-CZ 4.19Å; W187-F226 HydrophobicContact CE3-CE1 4.16Å; W187-F226 AromaticContact CE3-CZ 3.96Å; W187-F226 HydrophobicContact CE3-CZ 3.96Å; L190-F226 HydrophobicContact CD2-CD2 3.87Å; L190-F226 HydrophobicContact CD2-CE2 3.56Å; V222-F226 HydrophobicContact CG1-CD2 4.25Å; V222-F226 HydrophobicContact CG1-CE2 3.81Å; V222-F226 HydrophobicContact CG1-CZ 3.96Å; V222-F226 PolarHBondContact O-N 3.27Å; A223-F226 PolarHBondContact O-N 3.26Å; G224-F226 PolarHBondContact O-N 3.05Å; F226-I228 VanDerWaalsContact C-N 3.33Å; F226-I228 PolarHBondContact O-N 3.22Å; F226-E229 PolarHBondContact O-N 3.13Å; F226-I230 HydrophobicContact CB-CD1 4.33Å; F226-I230 HydrophobicContact CD1-CD1 4.17Å; F226-I230 HydrophobicContact CG-CD1 4.44Å; F226-I230 WeakPolarHBondContact O-CB 3.41Å; F226-I230 PolarHBondContact O-N 2.86Å; F226-P231 VanDerWaalsContact O-CD 3.29Å; F226-P231 WeakPolarHBondContact O-CD 3.27Å
227I94.9Very high95.4Very high17 Ų1720.4 Ų20.49%0.08712%0.119CC..Hα-helixtrans-60.8-44.6176.1-64.7170.5000110.7A223 G224 A225 P231 L232 F311 L318A223-I227 WeakPolarHBondContact O-CG1 3.13Å; A223-I227 PolarHBondContact O-N 3.32Å; G224-I227 PolarHBondContact O-N 3.31Å; A225-I227 PolarHBondContact O-N 3.43Å; I227-P231 HydrophobicContact CG2-CG 4.39Å; I227-P231 VanDerWaalsContact O-CD 3.22Å; I227-P231 WeakPolarHBondContact O-CD 3.2Å; I227-P231 WeakPolarHBondContact O-CG 3.47Å; I227-L232 WeakPolarHBondContact O-CB 3.14Å; I227-L232 PolarHBondContact O-N 3.14Å; I227-L232 VanDerWaalsContact O-N 3.09Å; I227-F311 HydrophobicContact CG2-CD1 3.96Å; I227-F311 HydrophobicContact CG2-CE1 3.73Å; I227-F311 HydrophobicContact CG2-CZ 4.16Å; I227-L318 HydrophobicContact CD1-CD1 4.22Å; I227-L318 HydrophobicContact CG1-CD1 4.34Å
228I96.3Very high95.3Very high24 Ų2419.5 Ų19.512%0.12312%0.115CC..Hα-helixtrans-70.8-32.9-178.7-66.3171.3000111.8G224 A225 F226 L232 P233 Q251 L254G224-I228 VanDerWaalsContact O-CG1 3.28Å; G224-I228 WeakPolarHBondContact O-CG1 3.31Å; G224-I228 PolarHBondContact O-N 3.47Å; A225-I228 PolarHBondContact O-N 3.32Å; F226-I228 VanDerWaalsContact C-N 3.33Å; F226-I228 PolarHBondContact O-N 3.22Å; I228-L232 HydrophobicContact CB-CD2 4.43Å; I228-L232 HydrophobicContact CG1-CD2 4.28Å; I228-L232 HydrophobicContact CG2-CD2 4.34Å; I228-P233 VanDerWaalsContact O-CD 3.31Å; I228-P233 WeakPolarHBondContact O-CD 3.16Å; I228-Q251 VanDerWaalsContact CG2-NE2 3.29Å; I228-Q251 PolarHBondContact O-NE2 2.86Å; I228-L254 HydrophobicContact CB-CD2 4.24Å; I228-L254 HydrophobicContact CD1-CB 4.39Å; I228-L254 HydrophobicContact CG2-CB 4.14Å; I228-L254 HydrophobicContact CG2-CD2 3.6Å; I228-L254 HydrophobicContact CG2-CG 4.49Å
229E96.9Very high95Very high19 Ų1923 Ų239%0.08914%0.139CC..Hα-helixtrans-93.6-22.4-174.9-68.6-177.9158.700114.4M172 F173 G176 K179 A225 F226 P233 L254M172-E229 CarbonylContact C-O 3.6Å; M172-E229 VanDerWaalsContact C-O 3.29Å; M172-E229 HydrophobicContact CE-CG 3.78Å; M172-E229 VanDerWaalsContact O-O 3.04Å; F173-E229 VanDerWaalsContact CA-O 3.28Å; F173-E229 WeakPolarHBondContact CA-O 3.33Å; F173-E229 PolarHBondContact N-O 2.84Å; G176-E229 WeakPolarHBondContact CA-OE2 3.27Å; K179-E229 VanDerWaalsContact NZ-CD 3.26Å; K179-E229 IonicContact NZ-OE1 2.73Å; K179-E229 PolarHBondContact NZ-OE1 3.4Å; K179-E229 VanDerWaalsContact NZ-OE1 3.1Å; K179-E229 IonicContact NZ-OE2 2.71Å; K179-E229 PolarHBondContact NZ-OE2 3.23Å; A225-E229 VanDerWaalsContact O-CB 3.25Å; A225-E229 WeakPolarHBondContact O-CB 3.42Å; A225-E229 VanDerWaalsContact O-CG 3.23Å; A225-E229 WeakPolarHBondContact O-CG 3.45Å; A225-E229 PolarHBondContact O-N 3.38Å; F226-E229 PolarHBondContact O-N 3.13Å; E229-P233 WeakPolarHBondContact O-CG 3.08Å; E229-L254 HydrophobicContact CG-CD2 3.95Å
230I95.8Very high94.9Very high8 Ų824.9 Ų24.94%0.04115%0.145CC..THydrogen-bonded Turntrans-111.9-68.9-171.5-58.1172.9000112.6F173 V177 L180 F226 P233 F338 F341F173-I230 VanDerWaalsContact CD2-O 3.3Å; F173-I230 WeakPolarHBondContact CD2-O 3.5Å; F173-I230 HydrophobicContact CE2-CG2 4.23Å; V177-I230 HydrophobicContact CG2-CG2 4.41Å; L180-I230 HydrophobicContact CD1-CD1 3.92Å; F226-I230 HydrophobicContact CB-CD1 4.33Å; F226-I230 HydrophobicContact CD1-CD1 4.17Å; F226-I230 HydrophobicContact CG-CD1 4.44Å; F226-I230 WeakPolarHBondContact O-CB 3.41Å; F226-I230 PolarHBondContact O-N 2.86Å; I230-P233 WeakPolarHBondContact O-CD 3.19Å; I230-F338 HydrophobicContact CD1-CE2 4.49Å; I230-F338 HydrophobicContact CD1-CZ 4.49Å; I230-F341 HydrophobicContact CG2-CE1 3.56Å; I230-F341 HydrophobicContact CG2-CZ 3.9Å
231P95.1Very high94.7Very high20 Ų2027 Ų2713%0.1315%0.149CC..THydrogen-bonded Turntrans-80.3-34.3-17931.9-37.3000112.9F226 I227 L234 V310 S314F226-P231 VanDerWaalsContact O-CD 3.29Å; F226-P231 WeakPolarHBondContact O-CD 3.27Å; I227-P231 HydrophobicContact CG2-CG 4.39Å; I227-P231 VanDerWaalsContact O-CD 3.22Å; I227-P231 WeakPolarHBondContact O-CD 3.2Å; I227-P231 WeakPolarHBondContact O-CG 3.47Å; P231-L234 VanDerWaalsContact O-CB 3.28Å; P231-L234 WeakPolarHBondContact O-CB 3.31Å; P231-L234 PolarHBondContact O-N 2.55Å; P231-L234 VanDerWaalsContact O-N 3.1Å; P231-V310 HydrophobicContact CB-CG1 3.96Å; P231-V310 HydrophobicContact CG-CG1 4.1Å; P231-S314 WeakPolarHBondContact CG-OG 3.37Å
232L95.7Very high94.6Very high0 Ų025.4 Ų25.40%014%0.138CC..G310 helixtrans-62.8-35.3-177.9-172.566.2000113.9I227 I228 L234 L235 S250I227-L232 WeakPolarHBondContact O-CB 3.14Å; I227-L232 PolarHBondContact O-N 3.14Å; I227-L232 VanDerWaalsContact O-N 3.09Å; I228-L232 HydrophobicContact CB-CD2 4.43Å; I228-L232 HydrophobicContact CG1-CD2 4.28Å; I228-L232 HydrophobicContact CG2-CD2 4.34Å; L232-L234 PolarHBondContact O-N 2.94Å; L232-L235 HydrophobicContact CD1-CD1 3.98Å; L232-L235 WeakPolarHBondContact O-CB 3.37Å; L232-L235 PolarHBondContact O-N 2.84Å; L232-S250 VanDerWaalsContact CD2-CB 3.45Å
233P97Very high94.6Very high0 Ų025.3 Ų25.30%014%0.138CC..G310 helixtrans-59.1-25.8172.8-29.740000114.7F169 M172 F173 I228 E229 I230 L235 F236F169-P233 HydrophobicContact CD2-CB 3.66Å; F169-P233 WeakPolarHBondContact CD2-O 3.44Å; F169-P233 HydrophobicContact CE2-CB 4.09Å; M172-P233 HydrophobicContact CB-CB 4.47Å; M172-P233 HydrophobicContact CB-CG 3.78Å; F173-P233 HydrophobicContact CB-CB 4.37Å; I228-P233 VanDerWaalsContact O-CD 3.31Å; I228-P233 WeakPolarHBondContact O-CD 3.16Å; E229-P233 WeakPolarHBondContact O-CG 3.08Å; I230-P233 WeakPolarHBondContact O-CD 3.19Å; P233-L235 PolarHBondContact O-N 3.24Å; P233-F236 HydrophobicContact CB-CD2 4.05Å; P233-F236 HydrophobicContact CB-CE1 4.42Å; P233-F236 HydrophobicContact CB-CE2 3.69Å; P233-F236 HydrophobicContact CB-CZ 3.91Å; P233-F236 HydrophobicContact CG-CE2 4.13Å; P233-F236 HydrophobicContact CG-CZ 3.95Å; P233-F236 VanDerWaalsContact O-CB 3.22Å; P233-F236 WeakPolarHBondContact O-CB 3.43Å; P233-F236 WeakPolarHBondContact O-CG 3.27Å; P233-F236 PolarHBondContact O-N 3.12Å
234L94.3Very high94.6Very high62 Ų6225.7 Ų25.733%0.32514%0.139SC..G310 helixtrans-63.4-29.2173.7-58.5170.9000111.5F169 P231 L232 F236F169-L234 HydrophobicContact CE2-CD2 3.95Å; F169-L234 HydrophobicContact CZ-CD2 4.33Å; P231-L234 VanDerWaalsContact O-CB 3.28Å; P231-L234 WeakPolarHBondContact O-CB 3.31Å; P231-L234 PolarHBondContact O-N 2.55Å; P231-L234 VanDerWaalsContact O-N 3.1Å; L232-L234 PolarHBondContact O-N 2.94Å; L234-F236 PolarHBondContact O-N 3.16Å
235L94.8Very high94.7Very high10 Ų1026.1 Ų26.15%0.05214%0.135CC..G310 helixtrans-75-9.1175.9-59.7-169.7000113.5L232 P233 F237 V238 L306 I307 V310L232-L235 HydrophobicContact CD1-CD1 3.98Å; L232-L235 WeakPolarHBondContact O-CB 3.37Å; L232-L235 PolarHBondContact O-N 2.84Å; P233-L235 PolarHBondContact O-N 3.24Å; L235-F237 PolarHBondContact O-N 3.39Å; L235-V238 HydrophobicContact CD2-CG2 4.09Å; L235-V238 WeakPolarHBondContact O-CB 3.44Å; L235-V238 PolarHBondContact O-N 3.4Å; L235-L306 HydrophobicContact CD2-CB 4.21Å; L235-I307 HydrophobicContact CD1-CG1 4.32Å; L235-V310 HydrophobicContact CD1-CB 4.37Å; L235-V310 HydrophobicContact CD1-CG2 3.93Å; L235-V310 HydrophobicContact CD2-CG2 3.99Å; L235-V310 HydrophobicContact CG-CG2 4Å
236F96.7Very high94.7Very high0 Ų026.9 Ų26.90%014%0.138CC..G310 helixtrans-60.4-31.8-178.5-67.7-4.4000112.3R165 L168 F169 M172 P233 L234 V238 Q251 L278R165-F236 VanDerWaalsContact CD-O 3.28Å; R165-F236 WeakPolarHBondContact CD-O 3.16Å; R165-F236 HydrophobicContact CG-CB 4.16Å; L168-F236 HydrophobicContact CD2-CD2 4.33Å; L168-F236 HydrophobicContact CD2-CE2 3.98Å; L168-F236 HydrophobicContact CD2-CZ 4.42Å; L168-F236 HydrophobicContact CG-CD2 4.28Å; L168-F236 HydrophobicContact CG-CE2 3.74Å; L168-F236 HydrophobicContact CG-CZ 4.45Å; F169-F236 HydrophobicContact CB-CD2 4.11Å; M172-F236 HydrophobicContact CG-CE2 4.44Å; P233-F236 HydrophobicContact CB-CD2 4.05Å; P233-F236 HydrophobicContact CB-CE1 4.42Å; P233-F236 HydrophobicContact CB-CE2 3.69Å; P233-F236 HydrophobicContact CB-CZ 3.91Å; P233-F236 HydrophobicContact CG-CE2 4.13Å; P233-F236 HydrophobicContact CG-CZ 3.95Å; P233-F236 VanDerWaalsContact O-CB 3.22Å; P233-F236 WeakPolarHBondContact O-CB 3.43Å; P233-F236 WeakPolarHBondContact O-CG 3.27Å; P233-F236 PolarHBondContact O-N 3.12Å; L234-F236 PolarHBondContact O-N 3.16Å; F236-V238 VanDerWaalsContact C-N 3.34Å; F236-Q251 HydrophobicContact CE1-CG 4.11Å; F236-Q251 HydrophobicContact CZ-CG 3.76Å; F236-L278 HydrophobicContact CB-CD2 3.66Å; F236-L278 HydrophobicContact CD1-CD1 4.09Å; F236-L278 HydrophobicContact CD1-CD2 3.92Å; F236-L278 HydrophobicContact CD2-CD2 4.28Å; F236-L278 HydrophobicContact CE1-CD1 4.1Å; F236-L278 HydrophobicContact CG-CD2 3.69Å
237F94.4Very high94.8Very high26 Ų2626.3 Ų26.311%0.11414%0.135CC..G310 helixtrans-84.8-6.6-179.5-54.7-75.3000113.7W162 R165 W166 F169 L235 F356W162-F237 HydrophobicContact CZ2-CE1 4.27Å; R165-F237 HydrophobicContact CG-CE1 4.31Å; W166-F237 HydrophobicContact CE3-CE1 4.07Å; W166-F237 AromaticContact CE3-CZ 3.59Å; W166-F237 HydrophobicContact CE3-CZ 3.59Å; W166-F237 HydrophobicContact CZ3-CZ 4.1Å; F169-F237 HydrophobicContact CB-CE2 3.97Å; F169-F237 HydrophobicContact CB-CZ 3.75Å; F169-F237 HydrophobicContact CD1-CE2 4.16Å; F169-F237 HydrophobicContact CD1-CZ 4.18Å; F169-F237 AromaticContact CD2-CE2 3.81Å; F169-F237 HydrophobicContact CD2-CE2 3.81Å; F169-F237 HydrophobicContact CD2-CZ 4.42Å; F169-F237 HydrophobicContact CE2-CE2 4.39Å; F169-F237 AromaticContact CG-CE2 3.69Å; F169-F237 HydrophobicContact CG-CE2 3.69Å; F169-F237 AromaticContact CG-CZ 3.85Å; F169-F237 HydrophobicContact CG-CZ 3.85Å; L235-F237 PolarHBondContact O-N 3.39Å; F237-F356 HydrophobicContact CB-CD2 3.78Å; F237-F356 HydrophobicContact CB-CE2 3.73Å; F237-F356 HydrophobicContact CD1-CD2 4.41Å; F237-F356 HydrophobicContact CG-CD2 4.2Å; F237-F356 HydrophobicContact CG-CE2 4.5Å
238V92.5Very high95Very high24 Ų2426.6 Ų26.615%0.14514%0.136CC..  trans-73.7123.8179.3177.30000109.6L235 F236 F240 A243 R244 L306L235-V238 HydrophobicContact CD2-CG2 4.09Å; L235-V238 WeakPolarHBondContact O-CB 3.44Å; L235-V238 PolarHBondContact O-N 3.4Å; F236-V238 VanDerWaalsContact C-N 3.34Å; V238-F240 HydrophobicContact CG1-CB 4.1Å; V238-F240 HydrophobicContact CG1-CD2 3.25Å; V238-F240 HydrophobicContact CG1-CE2 3.81Å; V238-F240 HydrophobicContact CG1-CG 3.81Å; V238-F240 PolarHBondContact O-N 2.99Å; V238-A243 HydrophobicContact CB-CB 4.33Å; V238-A243 HydrophobicContact CG1-CB 3.97Å; V238-R244 VanDerWaalsContact O-CG 3.31Å; V238-R244 WeakPolarHBondContact O-CG 3.29Å; V238-L306 HydrophobicContact CG1-CD1 3.81Å; V238-L306 HydrophobicContact CG2-CD1 4.12Å
239P90.3Very high95Very high81 Ų8132.3 Ų32.353%0.52616%0.157SC..  trans-77.1-6.8-171.430.3-36000113.9
240F92Very high95.1Very high64 Ų6432.4 Ų32.428%0.28116%0.159SC..  trans-73.7137.3-174.4-48.4-43000112.5V238 T242 A243 R244 A302 S303 L306V238-F240 HydrophobicContact CG1-CB 4.1Å; V238-F240 HydrophobicContact CG1-CD2 3.25Å; V238-F240 HydrophobicContact CG1-CE2 3.81Å; V238-F240 HydrophobicContact CG1-CG 3.81Å; V238-F240 PolarHBondContact O-N 2.99Å; F240-T242 PolarHBondContact O-N 2.99Å; F240-A243 HydrophobicContact CB-CB 4.47Å; F240-A243 PolarHBondContact O-N 3.13Å; F240-R244 WeakPolarHBondContact O-CG 3.01Å; F240-R244 PolarHBondContact O-N 3.24Å; F240-R244 VanDerWaalsContact O-N 3.09Å; F240-A302 HydrophobicContact CD2-CB 4.16Å; F240-A302 HydrophobicContact CE2-CB 3.68Å; F240-A302 HydrophobicContact CZ-CB 4.07Å; F240-S303 WeakPolarHBondContact CB-OG 3.46Å; F240-L306 HydrophobicContact CD2-CD1 4.11Å; F240-L306 HydrophobicContact CE2-CD1 3.95Å
241R91.3Very high95.2Very high98 Ų9832 Ų3237%0.3716%0.157SC..Hα-helixtrans-58.6-49.1-172.4179.7176.5175.1114.1-9.5113.1R244 L245 D282 D283R241-R244 PolarHBondContact O-N 3.26Å; R241-L245 HydrophobicContact CG-CD1 3.85Å; R241-L245 HydrophobicContact CG-CG 4.28Å; R241-L245 WeakPolarHBondContact O-CG 3.21Å; R241-L245 PolarHBondContact O-N 2.77Å; R241-D282 PolarHBondContact NH1-O 2.85Å; R241-D283 IonicContact CZ-OD1 3.74Å; R241-D283 IonicContact NE-OD1 3.63Å; R241-D283 IonicContact NH1-OD1 3.42Å; R241-D283 PolarHBondContact NH1-OD1 2.99Å; R241-D283 IonicContact NH2-OD1 3.84Å
242T93.1Very high95.4Very high21 Ų2132.2 Ų32.213%0.12916%0.158CC..Hα-helixtrans-65-44.2-175.8-52.50000111.3F240 R244 L245 V246 F300 W304 I307F240-T242 PolarHBondContact O-N 2.99Å; T242-R244 PolarHBondContact O-N 2.98Å; T242-L245 PolarHBondContact O-N 3.16Å; T242-V246 HydrophobicContact CG2-CG2 4.39Å; T242-V246 WeakPolarHBondContact O-CG2 3.4Å; T242-V246 PolarHBondContact O-N 2.81Å; T242-F300 WeakPolarHBondContact OG1-CD2 3.35Å; T242-W304 HydrophobicContact CG2-CZ2 4.37Å; T242-I307 HydrophobicContact CG2-CD1 3.91Å
243A94.9Very high95.5Very high0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-56.7-49.3175.400000111.8V238 F240 L245 V246 S247V238-A243 HydrophobicContact CB-CB 4.33Å; V238-A243 HydrophobicContact CG1-CB 3.97Å; F240-A243 HydrophobicContact CB-CB 4.47Å; F240-A243 PolarHBondContact O-N 3.13Å; A243-L245 PolarHBondContact O-N 2.86Å; A243-V246 PolarHBondContact O-N 3.23Å; A243-S247 WeakPolarHBondContact O-CB 3.28Å; A243-S247 PolarHBondContact O-N 3.12Å; A243-S247 PolarHBondContact O-OG 3.39Å
244R95.5Very high95.6Very high9 Ų938.6 Ų38.63%0.03419%0.192CC..Hα-helixtrans-58.1-44.1176.6-68.6-177.7-49.7101.13.7113V238 F240 R241 T242 F248 L278 D283V238-R244 VanDerWaalsContact O-CG 3.31Å; V238-R244 WeakPolarHBondContact O-CG 3.29Å; F240-R244 WeakPolarHBondContact O-CG 3.01Å; F240-R244 PolarHBondContact O-N 3.24Å; F240-R244 VanDerWaalsContact O-N 3.09Å; R241-R244 PolarHBondContact O-N 3.26Å; T242-R244 PolarHBondContact O-N 2.98Å; R244-F248 WeakPolarHBondContact O-CB 3.35Å; R244-F248 PolarHBondContact O-N 3.35Å; R244-L278 WeakPolarHBondContact CD-O 3.36Å; R244-L278 PolarHBondContact NH1-O 3.49Å; R244-D283 IonicContact CZ-OD2 2.68Å; R244-D283 IonicContact NH1-OD2 2.78Å; R244-D283 PolarHBondContact NH1-OD2 3.05Å; R244-D283 IonicContact NH2-OD1 3.54Å; R244-D283 PolarHBondContact NH2-OD1 3.22Å; R244-D283 VanDerWaalsContact NH2-OD1 3.14Å; R244-D283 IonicContact NH2-OD2 2.81Å; R244-D283 PolarHBondContact NH2-OD2 3.48Å
245L95.5Very high95.8Very high35 Ų3535.8 Ų35.818%0.18318%0.177CC..Hα-helixtrans-68.2-42.2-179.5-69.8178000111.8R241 T242 A243 F248 Y249 L279 D283R241-L245 HydrophobicContact CG-CD1 3.85Å; R241-L245 HydrophobicContact CG-CG 4.28Å; R241-L245 WeakPolarHBondContact O-CG 3.21Å; R241-L245 PolarHBondContact O-N 2.77Å; T242-L245 PolarHBondContact O-N 3.16Å; A243-L245 PolarHBondContact O-N 2.86Å; L245-F248 PolarHBondContact O-N 3.29Å; L245-Y249 HydrophobicContact CB-CD2 4.35Å; L245-Y249 HydrophobicContact CB-CE2 4.3Å; L245-Y249 HydrophobicContact CD2-CE2 4.27Å; L245-Y249 WeakPolarHBondContact O-CD2 3.32Å; L245-Y249 PolarHBondContact O-N 3.26Å; L245-L279 HydrophobicContact CD2-CD2 3.7Å; L245-D283 HydrophobicContact CD2-CB 4.31Å
246V96.4Very high95.9Very high35 Ų3539.3 Ų39.321%0.21220%0.195CC..Hα-helixtrans-62.4-45.5175.4169.20000110.6T242 A243 F248 S250 I307 F311T242-V246 HydrophobicContact CG2-CG2 4.39Å; T242-V246 WeakPolarHBondContact O-CG2 3.4Å; T242-V246 PolarHBondContact O-N 2.81Å; A243-V246 PolarHBondContact O-N 3.23Å; V246-F248 PolarHBondContact O-N 3.38Å; V246-S250 VanDerWaalsContact O-CB 3.25Å; V246-S250 WeakPolarHBondContact O-CB 3.39Å; V246-S250 PolarHBondContact O-N 3.2Å; V246-S250 PolarHBondContact O-OG 3.16Å; V246-I307 HydrophobicContact CB-CD1 4.06Å; V246-I307 HydrophobicContact CB-CG1 4.5Å; V246-I307 HydrophobicContact CG1-CD1 4.41Å; V246-I307 HydrophobicContact CG1-CG1 4.43Å; V246-I307 HydrophobicContact CG1-CG2 4.43Å; V246-I307 HydrophobicContact CG2-CD1 3.75Å; V246-F311 HydrophobicContact CG1-CE2 4.4Å
247S97.6Very high96Very high0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-56.9-49.4172.7-67.20000111.6A243 Q251A243-S247 WeakPolarHBondContact O-CB 3.28Å; A243-S247 PolarHBondContact O-N 3.12Å; A243-S247 PolarHBondContact O-OG 3.39Å; S247-Q251 VanDerWaalsContact O-CG 3.28Å; S247-Q251 WeakPolarHBondContact O-CG 3.48Å; S247-Q251 PolarHBondContact O-N 3.45Å; S247-Q251 VanDerWaalsContact O-N 3.1Å
248F98.2Very high96.1Very high22 Ų2242.5 Ų42.510%0.09622%0.217CC..Hα-helixtrans-57.4-55.5178.8173.7-95.5000112.6R244 L245 V246 S250 Q251 V252 C275 L278 L279R244-F248 WeakPolarHBondContact O-CB 3.35Å; R244-F248 PolarHBondContact O-N 3.35Å; L245-F248 PolarHBondContact O-N 3.29Å; V246-F248 PolarHBondContact O-N 3.38Å; F248-S250 VanDerWaalsContact C-N 3.34Å; F248-S250 PolarHBondContact O-N 3.32Å; F248-Q251 PolarHBondContact O-N 3.13Å; F248-V252 HydrophobicContact CD1-CG2 4.45Å; F248-V252 HydrophobicContact CD2-CG2 4.44Å; F248-V252 HydrophobicContact CE1-CG2 4.05Å; F248-V252 HydrophobicContact CE2-CG2 4.04Å; F248-V252 HydrophobicContact CZ-CG2 3.82Å; F248-V252 WeakPolarHBondContact O-CG2 3.28Å; F248-V252 PolarHBondContact O-N 2.9Å; F248-C275 HydrophobicContact CD2-CB 3.73Å; F248-C275 WeakPolarHBondContact CD2-O 3.42Å; F248-C275 HydrophobicContact CE2-CB 3.8Å; F248-L278 HydrophobicContact CB-CB 4.36Å; F248-L278 HydrophobicContact CB-CD1 4.34Å; F248-L279 HydrophobicContact CB-CD2 4.02Å; F248-L279 HydrophobicContact CD1-CD1 4.42Å; F248-L279 HydrophobicContact CD1-CD2 4.13Å; F248-L279 HydrophobicContact CD2-CD1 3.89Å; F248-L279 HydrophobicContact CD2-CD2 3.95Å; F248-L279 HydrophobicContact CD2-CG 3.73Å; F248-L279 HydrophobicContact CE1-CD1 4.17Å; F248-L279 HydrophobicContact CE2-CD1 3.6Å; F248-L279 HydrophobicContact CE2-CD2 4.49Å; F248-L279 HydrophobicContact CE2-CG 3.97Å; F248-L279 HydrophobicContact CG-CD1 4.3Å; F248-L279 HydrophobicContact CG-CD2 3.75Å; F248-L279 HydrophobicContact CG-CG 4.08Å; F248-L279 HydrophobicContact CZ-CD1 3.76Å
249Y98Very high96.4Very high145 Ų14542.8 Ų42.857%0.56922%0.218SC*.Hα-helixtrans-68.1-33.8-175.4-72.7-61.9000112.5L245 V252 L253L245-Y249 HydrophobicContact CB-CD2 4.35Å; L245-Y249 HydrophobicContact CB-CE2 4.3Å; L245-Y249 HydrophobicContact CD2-CE2 4.27Å; L245-Y249 WeakPolarHBondContact O-CD2 3.32Å; L245-Y249 PolarHBondContact O-N 3.26Å; Y249-V252 PolarHBondContact O-N 3.41Å; Y249-L253 VanDerWaalsContact O-CB 3.24Å; Y249-L253 WeakPolarHBondContact O-CB 3.43Å; Y249-L253 PolarHBondContact O-N 3.5Å
250S98Very high96.7Very high20 Ų2044 Ų4414%0.1422%0.219CC..Hα-helixtrans-66.2-42.1176.1-54.90000111.7L232 V246 F248 L253 L254L232-S250 VanDerWaalsContact CD2-CB 3.45Å; V246-S250 VanDerWaalsContact O-CB 3.25Å; V246-S250 WeakPolarHBondContact O-CB 3.39Å; V246-S250 PolarHBondContact O-N 3.2Å; V246-S250 PolarHBondContact O-OG 3.16Å; F248-S250 VanDerWaalsContact C-N 3.34Å; F248-S250 PolarHBondContact O-N 3.32Å; S250-L253 PolarHBondContact O-N 2.83Å; S250-L254 PolarHBondContact O-N 3.47Å
251Q98.4Very high97Very high0 Ų041.8 Ų41.80%021%0.211CC..Hα-helixtrans-64.2-46.6175-66-54.2-34.500111.1I228 F236 S247 F248 L253 L254 Q255 C275I228-Q251 VanDerWaalsContact CG2-NE2 3.29Å; I228-Q251 PolarHBondContact O-NE2 2.86Å; F236-Q251 HydrophobicContact CE1-CG 4.11Å; F236-Q251 HydrophobicContact CZ-CG 3.76Å; S247-Q251 VanDerWaalsContact O-CG 3.28Å; S247-Q251 WeakPolarHBondContact O-CG 3.48Å; S247-Q251 PolarHBondContact O-N 3.45Å; S247-Q251 VanDerWaalsContact O-N 3.1Å; F248-Q251 PolarHBondContact O-N 3.13Å; Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 3.18Å; Q251-L254 PolarHBondContact O-N 2.9Å; Q251-Q255 VanDerWaalsContact O-CG 3.3Å; Q251-Q255 WeakPolarHBondContact O-CG 3.33Å; Q251-Q255 PolarHBondContact O-N 3.32Å; Q251-C275 WeakPolarHBondContact CB-SG 3.28Å
252V98.5Very high97.2Very high25 Ų2537.1 Ų37.115%0.15219%0.194CC..Hα-helixtrans-60.1-43.9177.4171.80000111.3F248 Y249 L254 Q255 L256 C275F248-V252 HydrophobicContact CD1-CG2 4.45Å; F248-V252 HydrophobicContact CD2-CG2 4.44Å; F248-V252 HydrophobicContact CE1-CG2 4.05Å; F248-V252 HydrophobicContact CE2-CG2 4.04Å; F248-V252 HydrophobicContact CZ-CG2 3.82Å; F248-V252 WeakPolarHBondContact O-CG2 3.28Å; F248-V252 PolarHBondContact O-N 2.9Å; Y249-V252 PolarHBondContact O-N 3.41Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.34Å; V252-Q255 PolarHBondContact O-N 2.93Å; V252-L256 HydrophobicContact CG1-CD1 3.76Å; V252-L256 HydrophobicContact CG1-CG 4.13Å; V252-L256 WeakPolarHBondContact O-CB 3.42Å; V252-L256 VanDerWaalsContact O-CG 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.49Å; V252-L256 PolarHBondContact O-N 3.44Å; V252-C275 HydrophobicContact CG2-CB 4.39Å
253L98.3Very high97.4Very high110 Ų11036.3 Ų36.358%0.57619%0.189SC*.Hα-helixtrans-59.1-44.9176.8177.864.1000111.7Y249 S250 Q251 L256 S257Y249-L253 VanDerWaalsContact O-CB 3.24Å; Y249-L253 WeakPolarHBondContact O-CB 3.43Å; Y249-L253 PolarHBondContact O-N 3.5Å; S250-L253 PolarHBondContact O-N 2.83Å; Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 3.18Å; L253-L256 PolarHBondContact O-N 3.12Å; L253-S257 WeakPolarHBondContact O-CB 3.27Å; L253-S257 PolarHBondContact O-N 3.35Å; L253-S257 PolarHBondContact O-OG 3.22Å
254L98.2Very high97.5Very high23 Ų2336.7 Ų36.712%0.1219%0.19CC..Hα-helixtrans-61.7-47.9176.5179.361.6000110.9M172 I228 E229 S250 Q251 V252 L256 S257 I258M172-L254 HydrophobicContact CE-CD2 3.96Å; I228-L254 HydrophobicContact CB-CD2 4.24Å; I228-L254 HydrophobicContact CD1-CB 4.39Å; I228-L254 HydrophobicContact CG2-CB 4.14Å; I228-L254 HydrophobicContact CG2-CD2 3.6Å; I228-L254 HydrophobicContact CG2-CG 4.49Å; E229-L254 HydrophobicContact CG-CD2 3.95Å; S250-L254 PolarHBondContact O-N 3.47Å; Q251-L254 PolarHBondContact O-N 2.9Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.34Å; L254-L256 PolarHBondContact O-N 2.89Å; L254-S257 WeakPolarHBondContact O-CB 3.47Å; L254-S257 PolarHBondContact O-N 2.96Å; L254-I258 HydrophobicContact CD1-CD1 4.15Å; L254-I258 HydrophobicContact CD1-CG1 4.46Å; L254-I258 HydrophobicContact CG-CD1 4.02Å; L254-I258 VanDerWaalsContact O-CG1 3.28Å; L254-I258 WeakPolarHBondContact O-CG1 3.29Å; L254-I258 PolarHBondContact O-N 3.47Å
255Q98.4Very high97.4Very high4 Ų436.3 Ų36.32%0.01919%0.189CC..Hα-helixtrans-63.2-41.1179.3-61.6-41.4-46.600112.6Q251 V252 I258 I259 N268 T271 I272Q251-Q255 VanDerWaalsContact O-CG 3.3Å; Q251-Q255 WeakPolarHBondContact O-CG 3.33Å; Q251-Q255 PolarHBondContact O-N 3.32Å; V252-Q255 PolarHBondContact O-N 2.93Å; Q255-I258 PolarHBondContact O-N 2.96Å; Q255-I259 VanDerWaalsContact O-CG1 3.27Å; Q255-I259 WeakPolarHBondContact O-CG1 3.29Å; Q255-I259 PolarHBondContact O-N 2.74Å; Q255-N268 HydrophobicContact CB-CB 4.33Å; Q255-N268 PolarHBondContact OE1-ND2 3.25Å; Q255-T271 HydrophobicContact CG-CG2 3.85Å; Q255-I272 HydrophobicContact CB-CD1 3.82Å; Q255-I272 HydrophobicContact CB-CG1 3.61Å; Q255-I272 HydrophobicContact CG-CG1 3.94Å
256L98.2Very high97.5Very high83 Ų8334.6 Ų34.644%0.43518%0.18SC..Hα-helixtrans-65.6-39.9176.4-70.5176.4000111.8V252 L253 L254 I258 I259 L260 I272V252-L256 HydrophobicContact CG1-CD1 3.76Å; V252-L256 HydrophobicContact CG1-CG 4.13Å; V252-L256 WeakPolarHBondContact O-CB 3.42Å; V252-L256 VanDerWaalsContact O-CG 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.49Å; V252-L256 PolarHBondContact O-N 3.44Å; L253-L256 PolarHBondContact O-N 3.12Å; L254-L256 PolarHBondContact O-N 2.89Å; L256-I258 VanDerWaalsContact C-N 3.31Å; L256-I258 PolarHBondContact O-N 3.45Å; L256-I259 HydrophobicContact CD2-CD1 4.46Å; L256-I259 PolarHBondContact O-N 3.19Å; L256-L260 WeakPolarHBondContact O-CB 3.3Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.32Å; L256-L260 PolarHBondContact O-N 3.34Å; L256-I272 HydrophobicContact CD2-CD1 4.25Å
257S97.8Very high97.5Very high54 Ų5433.7 Ų33.738%0.37817%0.173SC..Hα-helixtrans-60.7-43.2174.8-56.40000111.3L253 L254 L260 T261L253-S257 WeakPolarHBondContact O-CB 3.27Å; L253-S257 PolarHBondContact O-N 3.35Å; L253-S257 PolarHBondContact O-OG 3.22Å; L254-S257 WeakPolarHBondContact O-CB 3.47Å; L254-S257 PolarHBondContact O-N 2.96Å; S257-L260 PolarHBondContact O-N 3.07Å; S257-T261 PolarHBondContact O-N 3.26Å; S257-T261 PolarHBondContact O-OG1 2.88Å; S257-T261 VanDerWaalsContact O-OG1 3.13Å
258I97.3Very high97.6Very high39 Ų3933.8 Ų33.820%0.217%0.173CC..Hα-helixtrans-63.4-49.2176.6-65.3165.3000110.4L254 Q255 L256 L260 T261 G262 Y264 N268L254-I258 HydrophobicContact CD1-CD1 4.15Å; L254-I258 HydrophobicContact CD1-CG1 4.46Å; L254-I258 HydrophobicContact CG-CD1 4.02Å; L254-I258 VanDerWaalsContact O-CG1 3.28Å; L254-I258 WeakPolarHBondContact O-CG1 3.29Å; L254-I258 PolarHBondContact O-N 3.47Å; Q255-I258 PolarHBondContact O-N 2.96Å; L256-I258 VanDerWaalsContact C-N 3.31Å; L256-I258 PolarHBondContact O-N 3.45Å; I258-L260 VanDerWaalsContact C-N 3.28Å; I258-L260 PolarHBondContact O-N 3.33Å; I258-T261 PolarHBondContact O-N 3.24Å; I258-T261 VanDerWaalsContact O-N 3.12Å; I258-T261 PolarHBondContact O-OG1 2.92Å; I258-G262 PolarHBondContact O-N 2.71Å; I258-Y264 HydrophobicContact CG2-CD2 3.35Å; I258-Y264 HydrophobicContact CG2-CE2 3.28Å; I258-Y264 HydrophobicContact CG2-CG 4.35Å; I258-N268 VanDerWaalsContact CG2-ND2 3.29Å; I258-N268 WeakPolarHBondContact CG2-ND2 3.36Å
259I97.8Very high97.6Very high31 Ų3135.4 Ų35.416%0.15918%0.183CC..Hα-helixtrans-56-42.9176.9-70.8166.4000111.6Q255 L256 T261 N268 L269 I272 I478Q255-I259 VanDerWaalsContact O-CG1 3.27Å; Q255-I259 WeakPolarHBondContact O-CG1 3.29Å; Q255-I259 PolarHBondContact O-N 2.74Å; L256-I259 HydrophobicContact CD2-CD1 4.46Å; L256-I259 PolarHBondContact O-N 3.19Å; I259-T261 VanDerWaalsContact C-N 3.27Å; I259-T261 PolarHBondContact O-N 3.23Å; I259-N268 HydrophobicContact CD1-CB 3.61Å; I259-N268 HydrophobicContact CG1-CB 3.42Å; I259-N268 VanDerWaalsContact CG1-CB 3.42Å; I259-L269 HydrophobicContact CD1-CD2 4.1Å; I259-I272 HydrophobicContact CD1-CD1 4.04Å; I259-I478 HydrophobicContact CB-CD1 4.32Å; I259-I478 HydrophobicContact CD1-CD1 4.05Å; I259-I478 HydrophobicContact CG1-CD1 3.8Å; I259-I478 HydrophobicContact CG2-CD1 3.63Å
260L97.4Very high97.6Very high105 Ų10528.5 Ų28.555%0.5516%0.156SC..Hα-helixtrans-62.4-37.2-179.1-77.7170.5000111.6T204 V206 L256 S257 I258T204-L260 WeakPolarHBondContact CB-O 3.31Å; T204-L260 PolarHBondContact OG1-O 3.27Å; V206-L260 VanDerWaalsContact CB-O 3.32Å; V206-L260 WeakPolarHBondContact CB-O 3.3Å; L256-L260 WeakPolarHBondContact O-CB 3.3Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.32Å; L256-L260 PolarHBondContact O-N 3.34Å; S257-L260 PolarHBondContact O-N 3.07Å; I258-L260 VanDerWaalsContact C-N 3.28Å; I258-L260 PolarHBondContact O-N 3.33Å
261T97.6Very high97.6Very high18 Ų1827.5 Ų27.511%0.1115%0.149CC..Hα-helixtrans-96.1-19.3-175.560.30000114.7Y197 Q200 T204 V206 A207 A210 S257 I258 I259Y197-T261 HydrophobicContact CD1-CG2 4.19Å; Y197-T261 HydrophobicContact CE1-CG2 3.85Å; Q200-T261 PolarHBondContact NE2-O 3.31Å; Q200-T261 PolarHBondContact OE1-O 3.45Å; T204-T261 PolarHBondContact N-O 2.9Å; T204-T261 VanDerWaalsContact OG1-CA 3.26Å; T204-T261 WeakPolarHBondContact OG1-CA 3.23Å; T204-T261 PolarHBondContact OG1-O 3.4Å; V206-T261 HydrophobicContact CG1-CG2 4.32Å; A207-T261 WeakPolarHBondContact CB-O 3.47Å; A210-T261 HydrophobicContact CB-CG2 4.11Å; S257-T261 PolarHBondContact O-N 3.26Å; S257-T261 PolarHBondContact O-OG1 2.88Å; S257-T261 VanDerWaalsContact O-OG1 3.13Å; I258-T261 PolarHBondContact O-N 3.24Å; I258-T261 VanDerWaalsContact O-N 3.12Å; I258-T261 PolarHBondContact O-OG1 2.92Å; I259-T261 VanDerWaalsContact C-N 3.27Å; I259-T261 PolarHBondContact O-N 3.23Å
262G97Very high97.6Very high1 Ų128.9 Ų28.91%0.0116%0.156CC..BIsolated β-bridgetrans-153.7146.1-169.400000114I258 Y264I258-G262 PolarHBondContact O-N 2.71Å; G262-Y264 PolarHBondContact O-N 3.16Å
263N97Very high97.6Very high3 Ų327.7 Ų27.72%0.01615%0.149CC..  trans-94.995.3179.3-61.6-84.8000111.1I202 T204 P475 V477 I478 W486I202-N263 HydrophobicContact CB-CB 4.12Å; I202-N263 HydrophobicContact CG2-CB 4.11Å; I202-N263 PolarHBondContact O-N 3.24Å; I202-N263 PolarHBondContact O-ND2 2.72Å; T204-N263 WeakPolarHBondContact CG2-ND2 3.43Å; N263-P475 PolarHBondContact ND2-O 3.33Å; N263-V477 HydrophobicContact CB-CG2 3.56Å; N263-V477 WeakPolarHBondContact OD1-CG2 2.98Å; N263-V477 PolarHBondContact OD1-N 2.86Å; N263-I478 PolarHBondContact OD1-N 3.33Å; N263-W486 WeakPolarHBondContact O-CZ2 3.33Å
264Y95.9Very high97.7Very high8 Ų822.5 Ų22.53%0.03112%0.121CC..  trans-106.953.3172.3-52.1-92.9000110.5H196 Q200 I258 G262 F266 F267 N268 F434 W486H196-Y264 PolarHBondContact CE1-OH 2.9Å; H196-Y264 PolarHBondContact NE2-OH 3.07Å; H196-Y264 VanDerWaalsContact NE2-OH 3.12Å; Q200-Y264 PolarHBondContact OE1-OH 3.35Å; I258-Y264 HydrophobicContact CG2-CD2 3.35Å; I258-Y264 HydrophobicContact CG2-CE2 3.28Å; I258-Y264 HydrophobicContact CG2-CG 4.35Å; G262-Y264 PolarHBondContact O-N 3.16Å; Y264-F266 PolarHBondContact O-N 2.86Å; Y264-F267 VanDerWaalsContact O-CB 3.29Å; Y264-F267 WeakPolarHBondContact O-CB 3.46Å; Y264-F267 PolarHBondContact O-N 3.47Å; Y264-N268 WeakPolarHBondContact CB-OD1 3.49Å; Y264-F434 HydrophobicContact CD1-CE2 4.41Å; Y264-F434 HydrophobicContact CD1-CZ 4.03Å; Y264-F434 HydrophobicContact CE1-CE1 4.23Å; Y264-F434 AromaticContact CE1-CE2 3.83Å; Y264-F434 HydrophobicContact CE1-CE2 3.83Å; Y264-F434 AromaticContact CE1-CZ 3.33Å; Y264-F434 HydrophobicContact CE1-CZ 3.33Å; Y264-W486 AromaticContact CD1-CH2 3.7Å; Y264-W486 HydrophobicContact CD1-CH2 3.7Å; Y264-W486 HydrophobicContact CD1-CZ2 4.03Å; Y264-W486 HydrophobicContact CE1-CH2 4.03Å
265N94.2Very high97.7Very high1 Ų121.4 Ų21.41%0.00512%0.116CC..THydrogen-bonded Turntrans46.8-119.5169.349.866000113.5W127 F267 I478 P479 Q481W127-N265 VanDerWaalsContact CD2-ND2 3.31Å; W127-N265 VanDerWaalsContact CG-OD1 3.28Å; W127-N265 WeakPolarHBondContact CH2-ND2 3.32Å; W127-N265 WeakPolarHBondContact CZ2-ND2 3.43Å; W127-N265 PolarHBondContact NE1-ND2 3.01Å; N265-F267 PolarHBondContact OD1-N 3.29Å; N265-F267 VanDerWaalsContact OD1-N 3.07Å; N265-I478 WeakPolarHBondContact O-CG1 3.39Å; N265-P479 CarbonylContact C-O 3.5Å; N265-P479 WeakPolarHBondContact O-CA 3.44Å; N265-Q481 HydrophobicContact CB-CB 3.56Å; N265-Q481 HydrophobicContact CB-CG 3.86Å
266F96.7Very high97.7Very high0 Ų023.4 Ų23.40%012%0.123CC..THydrogen-bonded Turntrans-1042.6176.154.8-96.9000112.6I20 A24 W127 L131 Y264 L269 L270I20-F266 HydrophobicContact CG2-CB 4.05Å; I20-F266 HydrophobicContact CG2-CD2 3.65Å; I20-F266 HydrophobicContact CG2-CE2 4.4Å; I20-F266 HydrophobicContact CG2-CG 4.03Å; A24-F266 HydrophobicContact CB-CD1 4.02Å; A24-F266 HydrophobicContact CB-CE1 3.56Å; A24-F266 HydrophobicContact CB-CE2 4.44Å; A24-F266 HydrophobicContact CB-CZ 3.78Å; W127-F266 HydrophobicContact CB-CE2 4.04Å; W127-F266 AromaticContact CD1-CE2 3.84Å; W127-F266 AromaticContact CD1-CZ 3.52Å; W127-F266 HydrophobicContact CG-CE2 4.31Å; W127-F266 HydrophobicContact CG-CZ 4.38Å; L131-F266 HydrophobicContact CB-CE2 4.23Å; L131-F266 HydrophobicContact CD2-CE2 3.99Å; L131-F266 HydrophobicContact CD2-CZ 4.23Å; Y264-F266 PolarHBondContact O-N 2.86Å; F266-L269 PolarHBondContact O-N 3.49Å; F266-L270 WeakPolarHBondContact O-CB 3.4Å; F266-L270 PolarHBondContact O-N 3.43Å
267F97.7Very high97.6Very high16 Ų1619.4 Ų19.47%0.0710%0.103CC..Hα-helixtrans-56.8-56.2-177.3177.8-111.4000112.4W127 L130 L171 Y264 N265 L269 L270 T271 L433W127-F267 HydrophobicContact CB-CB 3.73Å; W127-F267 HydrophobicContact CB-CD2 3.73Å; W127-F267 HydrophobicContact CB-CG 4.14Å; W127-F267 HydrophobicContact CD2-CB 4.48Å; W127-F267 HydrophobicContact CE3-CB 4.23Å; W127-F267 HydrophobicContact CG-CB 4.31Å; L130-F267 HydrophobicContact CD2-CD2 3.96Å; L130-F267 HydrophobicContact CD2-CE2 3.66Å; L171-F267 HydrophobicContact CD1-CE2 4.05Å; L171-F267 HydrophobicContact CD1-CZ 4.08Å; L171-F267 HydrophobicContact CD2-CE2 4.32Å; L171-F267 HydrophobicContact CD2-CZ 4.34Å; Y264-F267 VanDerWaalsContact O-CB 3.29Å; Y264-F267 WeakPolarHBondContact O-CB 3.46Å; Y264-F267 PolarHBondContact O-N 3.47Å; N265-F267 PolarHBondContact OD1-N 3.29Å; N265-F267 VanDerWaalsContact OD1-N 3.07Å; F267-L269 VanDerWaalsContact C-N 3.29Å; F267-L269 PolarHBondContact O-N 3.26Å; F267-L270 WeakPolarHBondContact O-CB 3.34Å; F267-L270 PolarHBondContact O-N 3.46Å; F267-L270 VanDerWaalsContact O-N 3.1Å; F267-T271 PolarHBondContact O-N 2.95Å; F267-T271 PolarHBondContact O-OG1 3.25Å; F267-L433 HydrophobicContact CD1-CD1 4.32Å; F267-L433 HydrophobicContact CE1-CD1 3.44Å; F267-L433 VanDerWaalsContact CE1-CD1 3.44Å; F267-L433 HydrophobicContact CE2-CD1 3.73Å; F267-L433 HydrophobicContact CZ-CD1 3.09Å
268N98Very high97.6Very high1 Ų116.9 Ų16.91%0.0059%0.085CC..Hα-helixtrans-64.5-35.7-177.9-60.2109.2000111.9Q255 I258 I259 Y264 L270 T271 I272Q255-N268 HydrophobicContact CB-CB 4.33Å; Q255-N268 PolarHBondContact OE1-ND2 3.25Å; I258-N268 VanDerWaalsContact CG2-ND2 3.29Å; I258-N268 WeakPolarHBondContact CG2-ND2 3.36Å; I259-N268 HydrophobicContact CD1-CB 3.61Å; I259-N268 HydrophobicContact CG1-CB 3.42Å; I259-N268 VanDerWaalsContact CG1-CB 3.42Å; Y264-N268 WeakPolarHBondContact CB-OD1 3.49Å; N268-L270 VanDerWaalsContact C-N 3.32Å; N268-T271 PolarHBondContact O-N 2.89Å; N268-I272 VanDerWaalsContact O-CG1 3.29Å; N268-I272 WeakPolarHBondContact O-CG1 3.26Å; N268-I272 PolarHBondContact O-N 3.46Å
269L98.3Very high97.6Very high56 Ų5615.7 Ų15.729%0.2938%0.079SC..Hα-helixtrans-64-39.8174.9-62.2178.4000111.2I20 I259 F266 F267 I272 A273 I478 P479I20-L269 HydrophobicContact CD1-CB 4.47Å; I20-L269 HydrophobicContact CG1-CB 4.39Å; I259-L269 HydrophobicContact CD1-CD2 4.1Å; F266-L269 PolarHBondContact O-N 3.49Å; F267-L269 VanDerWaalsContact C-N 3.29Å; F267-L269 PolarHBondContact O-N 3.26Å; L269-I272 PolarHBondContact O-N 3.35Å; L269-A273 PolarHBondContact O-N 3.07Å; L269-I478 HydrophobicContact CD1-CD1 4.27Å; L269-I478 HydrophobicContact CD1-CG1 4.27Å; L269-I478 HydrophobicContact CD2-CD1 4.35Å; L269-I478 HydrophobicContact CG-CD1 4.14Å; L269-P479 HydrophobicContact CD1-CB 3.92Å
270L98.7Very high97.3Very high0 Ų018.7 Ų18.70%09%0.091CC..Hα-helixtrans-66.3-41.7174.7-177.455.7000111.7L17 I20 L130 L131 F266 F267 N268 I272 A273 L274L17-L270 HydrophobicContact CD1-CD1 3.74Å; I20-L270 VanDerWaalsContact CD1-CA 3.47Å; I20-L270 HydrophobicContact CD1-CB 3.88Å; I20-L270 HydrophobicContact CD1-CD1 3.89Å; I20-L270 HydrophobicContact CD1-CG 4.49Å; I20-L270 HydrophobicContact CG2-CB 4.5Å; L130-L270 HydrophobicContact CB-CD2 4.09Å; L130-L270 HydrophobicContact CD2-CD2 3.82Å; L130-L270 HydrophobicContact CD2-CG 4.07Å; L130-L270 HydrophobicContact CG-CD2 3.68Å; L130-L270 HydrophobicContact CG-CG 4.24Å; L131-L270 HydrophobicContact CB-CD2 4.08Å; L131-L270 HydrophobicContact CD1-CD2 4.46Å; F266-L270 WeakPolarHBondContact O-CB 3.4Å; F266-L270 PolarHBondContact O-N 3.43Å; F267-L270 WeakPolarHBondContact O-CB 3.34Å; F267-L270 PolarHBondContact O-N 3.46Å; F267-L270 VanDerWaalsContact O-N 3.1Å; N268-L270 VanDerWaalsContact C-N 3.32Å; L270-I272 VanDerWaalsContact C-N 3.35Å; L270-I272 PolarHBondContact O-N 3.44Å; L270-A273 WeakPolarHBondContact O-CB 3.34Å; L270-A273 PolarHBondContact O-N 3.4Å; L270-A273 VanDerWaalsContact O-N 3.14Å; L270-L274 WeakPolarHBondContact O-CG 3.4Å; L270-L274 PolarHBondContact O-N 3.28Å
271T98.6Very high97Very high0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-62.9-40.5173.7-51.70000111.9L168 L171 M172 Q255 F267 N268 A273 L274 C275L168-T271 HydrophobicContact CD1-CG2 4.06Å; L171-T271 HydrophobicContact CD2-CG2 4.06Å; M172-T271 HydrophobicContact SD-CG2 3.96Å; Q255-T271 HydrophobicContact CG-CG2 3.85Å; F267-T271 PolarHBondContact O-N 2.95Å; F267-T271 PolarHBondContact O-OG1 3.25Å; N268-T271 PolarHBondContact O-N 2.89Å; T271-A273 VanDerWaalsContact C-N 3.33Å; T271-A273 PolarHBondContact O-N 3.42Å; T271-L274 WeakPolarHBondContact O-CB 3.24Å; T271-L274 PolarHBondContact O-N 2.88Å; T271-C275 PolarHBondContact O-N 3.11Å; T271-C275 PolarHBondContact O-SG 3.29Å
272I98.7Very high96.5Very high29 Ų2919.6 Ų19.615%0.14910%0.095CC..Hα-helixtrans-62.1-41.1172.4-69.1165.8000110.8Q255 L256 I259 N268 L269 L270 L274 C275Q255-I272 HydrophobicContact CB-CD1 3.82Å; Q255-I272 HydrophobicContact CB-CG1 3.61Å; Q255-I272 HydrophobicContact CG-CG1 3.94Å; L256-I272 HydrophobicContact CD2-CD1 4.25Å; I259-I272 HydrophobicContact CD1-CD1 4.04Å; N268-I272 VanDerWaalsContact O-CG1 3.29Å; N268-I272 WeakPolarHBondContact O-CG1 3.26Å; N268-I272 PolarHBondContact O-N 3.46Å; L269-I272 PolarHBondContact O-N 3.35Å; L270-I272 VanDerWaalsContact C-N 3.35Å; L270-I272 PolarHBondContact O-N 3.44Å; I272-L274 VanDerWaalsContact C-N 3.33Å; I272-L274 PolarHBondContact O-N 3.31Å; I272-C275 VanDerWaalsContact O-CB 3.3Å; I272-C275 WeakPolarHBondContact O-CB 3.43Å; I272-C275 PolarHBondContact O-N 3.26Å; I272-C275 VanDerWaalsContact O-N 3.12Å
273A98.7Very high96.2Very high0 Ų020.9 Ų20.90%010%0.102CC..Hα-helixtrans-60-44.4175.600000111.2F13 C16 I20 L269 L270 T271 C275 Y276F13-A273 HydrophobicContact CD2-CB 4.12Å; F13-A273 WeakPolarHBondContact CD2-O 3.36Å; F13-A273 HydrophobicContact CE2-CB 4.5Å; C16-A273 HydrophobicContact CB-CB 3.6Å; I20-A273 HydrophobicContact CD1-CB 4.09Å; L269-A273 PolarHBondContact O-N 3.07Å; L270-A273 WeakPolarHBondContact O-CB 3.34Å; L270-A273 PolarHBondContact O-N 3.4Å; L270-A273 VanDerWaalsContact O-N 3.14Å; T271-A273 VanDerWaalsContact C-N 3.33Å; T271-A273 PolarHBondContact O-N 3.42Å; A273-C275 PolarHBondContact O-N 3.19Å; A273-Y276 WeakPolarHBondContact O-CB 3.12Å; A273-Y276 WeakPolarHBondContact O-CD2 3.28Å; A273-Y276 PolarHBondContact O-N 3.34Å
274L98.7Very high95.8Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-61.1-31.5175.6-68.4174.2000112.6F13 L130 L164 L167 L168 L171 L270 T271 I272 Y276 S277F13-L274 HydrophobicContact CE2-CD2 3.96Å; L130-L274 HydrophobicContact CD1-CD1 4.11Å; L130-L274 HydrophobicContact CD2-CD1 4.36Å; L164-L274 HydrophobicContact CD2-CD2 3.87Å; L167-L274 HydrophobicContact CD2-CD1 4.43Å; L167-L274 HydrophobicContact CD2-CD2 4.05Å; L167-L274 HydrophobicContact CG-CD1 4.37Å; L168-L274 HydrophobicContact CB-CB 4.21Å; L168-L274 HydrophobicContact CD1-CB 3.95Å; L168-L274 HydrophobicContact CG-CB 4.48Å; L171-L274 HydrophobicContact CD2-CD1 4.18Å; L270-L274 WeakPolarHBondContact O-CG 3.4Å; L270-L274 PolarHBondContact O-N 3.28Å; T271-L274 WeakPolarHBondContact O-CB 3.24Å; T271-L274 PolarHBondContact O-N 2.88Å; I272-L274 VanDerWaalsContact C-N 3.33Å; I272-L274 PolarHBondContact O-N 3.31Å; L274-Y276 PolarHBondContact O-N 3.39Å; L274-S277 VanDerWaalsContact O-CB 3.22Å; L274-S277 WeakPolarHBondContact O-CB 3.47Å; L274-S277 PolarHBondContact O-N 3Å; L274-S277 PolarHBondContact O-OG 3.48Å
275C98.7Very high95.2Very high0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-60.7-24.6177.5-66.10000113.1F248 Q251 V252 T271 I272 A273 S277 L278F248-C275 HydrophobicContact CD2-CB 3.73Å; F248-C275 WeakPolarHBondContact CD2-O 3.42Å; F248-C275 HydrophobicContact CE2-CB 3.8Å; Q251-C275 WeakPolarHBondContact CB-SG 3.28Å; V252-C275 HydrophobicContact CG2-CB 4.39Å; T271-C275 PolarHBondContact O-N 3.11Å; T271-C275 PolarHBondContact O-SG 3.29Å; I272-C275 VanDerWaalsContact O-CB 3.3Å; I272-C275 WeakPolarHBondContact O-CB 3.43Å; I272-C275 PolarHBondContact O-N 3.26Å; I272-C275 VanDerWaalsContact O-N 3.12Å; A273-C275 PolarHBondContact O-N 3.19Å; C275-S277 PolarHBondContact O-N 2.89Å; C275-S277 VanDerWaalsContact O-N 3.08Å; C275-L278 WeakPolarHBondContact O-CB 3.47Å; C275-L278 PolarHBondContact O-N 2.93Å
276Y98.1Very high94.1Very high46 Ų4633.2 Ų33.218%0.1817%0.172CC..G310 helixtrans-58.6-21.7172.8-76.2-70.7000113.3P9 R12 A273 L274 L278 L279 F284P9-Y276 VanDerWaalsContact CB-O 3.22Å; P9-Y276 WeakPolarHBondContact CB-O 3.4Å; R12-Y276 HydrophobicContact CB-CD1 3.74Å; R12-Y276 HydrophobicContact CB-CD2 4.04Å; R12-Y276 HydrophobicContact CB-CE1 3.59Å; R12-Y276 HydrophobicContact CB-CE2 3.91Å; R12-Y276 HydrophobicContact CB-CG 3.97Å; R12-Y276 HydrophobicContact CG-CD1 4.35Å; R12-Y276 HydrophobicContact CG-CE1 3.92Å; A273-Y276 WeakPolarHBondContact O-CB 3.12Å; A273-Y276 WeakPolarHBondContact O-CD2 3.28Å; A273-Y276 PolarHBondContact O-N 3.34Å; L274-Y276 PolarHBondContact O-N 3.39Å; Y276-L278 PolarHBondContact O-N 3Å; Y276-L279 HydrophobicContact CD1-CD1 4.08Å; Y276-L279 HydrophobicContact CE1-CD1 4.45Å; Y276-L279 PolarHBondContact O-N 3.17Å; Y276-L279 VanDerWaalsContact O-N 3.13Å; Y276-F284 AromaticContact CD1-CZ 3.97Å; Y276-F284 HydrophobicContact CD1-CZ 3.97Å; Y276-F284 HydrophobicContact CE1-CE1 4.23Å; Y276-F284 AromaticContact CE1-CZ 3.93Å; Y276-F284 HydrophobicContact CE1-CZ 3.93Å
277S97.7Very high92.9Very high0 Ų044 Ų440%021%0.213CC..G310 helixtrans-63.8-16.7173.170.50000114.4R165 L274 C275R165-S277 WeakPolarHBondContact CA-OG 3.24Å; R165-S277 PolarHBondContact NE-O 2.96Å; R165-S277 VanDerWaalsContact NE-O 3.15Å; R165-S277 PolarHBondContact NH2-O 3.37Å; L274-S277 VanDerWaalsContact O-CB 3.22Å; L274-S277 WeakPolarHBondContact O-CB 3.47Å; L274-S277 PolarHBondContact O-N 3Å; L274-S277 PolarHBondContact O-OG 3.48Å; C275-S277 PolarHBondContact O-N 2.89Å; C275-S277 VanDerWaalsContact O-N 3.08Å
278L97.6Very high91.6Very high0 Ų049.9 Ų49.90%024%0.235CC..G310 helixtrans-85.5-19176.5-57.9176.8000112.5R165 L168 F236 R244 F248 C275 Y276R165-L278 HydrophobicContact CG-CD2 3.95Å; L168-L278 HydrophobicContact CD2-CD1 3.89Å; L168-L278 HydrophobicContact CD2-CD2 4.36Å; L168-L278 HydrophobicContact CD2-CG 4Å; F236-L278 HydrophobicContact CB-CD2 3.66Å; F236-L278 HydrophobicContact CD1-CD1 4.09Å; F236-L278 HydrophobicContact CD1-CD2 3.92Å; F236-L278 HydrophobicContact CD2-CD2 4.28Å; F236-L278 HydrophobicContact CE1-CD1 4.1Å; F236-L278 HydrophobicContact CG-CD2 3.69Å; R244-L278 WeakPolarHBondContact CD-O 3.36Å; R244-L278 PolarHBondContact NH1-O 3.49Å; F248-L278 HydrophobicContact CB-CB 4.36Å; F248-L278 HydrophobicContact CB-CD1 4.34Å; C275-L278 WeakPolarHBondContact O-CB 3.47Å; C275-L278 PolarHBondContact O-N 2.93Å; Y276-L278 PolarHBondContact O-N 3Å
279L96.5Very high89.9Confident15 Ų1560.8 Ų60.88%0.07928%0.276CS..  trans-91.7158.7-176-60.1-176.7000112.5P9 L245 F248 Y276 D283 F284P9-L279 HydrophobicContact CB-CB 4.18Å; P9-L279 HydrophobicContact CG-CB 4.23Å; P9-L279 WeakPolarHBondContact CG-O 3.44Å; L245-L279 HydrophobicContact CD2-CD2 3.7Å; F248-L279 HydrophobicContact CB-CD2 4.02Å; F248-L279 HydrophobicContact CD1-CD1 4.42Å; F248-L279 HydrophobicContact CD1-CD2 4.13Å; F248-L279 HydrophobicContact CD2-CD1 3.89Å; F248-L279 HydrophobicContact CD2-CD2 3.95Å; F248-L279 HydrophobicContact CD2-CG 3.73Å; F248-L279 HydrophobicContact CE1-CD1 4.17Å; F248-L279 HydrophobicContact CE2-CD1 3.6Å; F248-L279 HydrophobicContact CE2-CD2 4.49Å; F248-L279 HydrophobicContact CE2-CG 3.97Å; F248-L279 HydrophobicContact CG-CD1 4.3Å; F248-L279 HydrophobicContact CG-CD2 3.75Å; F248-L279 HydrophobicContact CG-CG 4.08Å; F248-L279 HydrophobicContact CZ-CD1 3.76Å; Y276-L279 HydrophobicContact CD1-CD1 4.08Å; Y276-L279 HydrophobicContact CE1-CD1 4.45Å; Y276-L279 PolarHBondContact O-N 3.17Å; Y276-L279 VanDerWaalsContact O-N 3.13Å; L279-D283 HydrophobicContact CD2-CB 4.37Å; L279-F284 HydrophobicContact CB-CE2 4.02Å; L279-F284 HydrophobicContact CB-CZ 4.45Å; L279-F284 HydrophobicContact CD1-CE2 4Å; L279-F284 HydrophobicContact CD1-CZ 3.66Å
280K92.3Very high88.4Confident93 Ų9363.2 Ų63.240%0.40428%0.281SS..  trans-120.9160.1172.8-70.8179.3-179.9177.90109.1D282 D283K280-D282 PolarHBondContact O-N 2.88Å; K280-D282 VanDerWaalsContact O-N 3.14Å; K280-D283 PolarHBondContact N-OD2 3.16Å; K280-D283 VanDerWaalsContact O-CB 3.3Å; K280-D283 WeakPolarHBondContact O-CB 3.21Å; K280-D283 PolarHBondContact O-N 3.33Å
281D90.1Very high86.9Confident69 Ų6971.9 Ų71.937%0.36932%0.319SS..G310 helixtrans-53.5-39.1-179-62.7-30.2000112.6S7 V8 P9 D283 F284S7-D281 WeakPolarHBondContact CA-OD1 3.21Å; S7-D281 PolarHBondContact OG-OD1 2.89Å; V8-D281 PolarHBondContact N-OD1 2.69Å; P9-D281 WeakPolarHBondContact CD-OD1 3.36Å; D281-D283 PolarHBondContact O-N 2.99Å; D281-D283 VanDerWaalsContact O-N 3.14Å; D281-F284 PolarHBondContact O-N 3.21Å
282D87.8Confident85.8Confident73 Ų7378.9 Ų78.939%0.3935%0.345SS..G310 helixtrans-61.1-17.6176.4-77.7-24.7000115R241 K280 F284 R288R241-D282 PolarHBondContact NH1-O 2.85Å; K280-D282 PolarHBondContact O-N 2.88Å; K280-D282 VanDerWaalsContact O-N 3.14Å; D282-F284 VanDerWaalsContact C-N 3.27Å; D282-R288 IonicContact OD1-NH1 2.75Å; D282-R288 PolarHBondContact OD1-NH1 3.47Å; D282-R288 IonicContact OD2-CZ 3.26Å; D282-R288 IonicContact OD2-NH1 3.34Å; D282-R288 PolarHBondContact OD2-NH1 3.29Å; D282-R288 IonicContact OD2-NH2 3.47Å
283D90.8Very high85Confident29 Ų2981.3 Ų81.316%0.15536%0.362CS..G310 helixtrans-78.2-17.1177.5-56.4-36.6000111.4R241 R244 L245 L279 K280 D281R241-D283 IonicContact CZ-OD1 3.74Å; R241-D283 IonicContact NE-OD1 3.63Å; R241-D283 IonicContact NH1-OD1 3.42Å; R241-D283 PolarHBondContact NH1-OD1 2.99Å; R241-D283 IonicContact NH2-OD1 3.84Å; R244-D283 IonicContact CZ-OD2 2.68Å; R244-D283 IonicContact NH1-OD2 2.78Å; R244-D283 PolarHBondContact NH1-OD2 3.05Å; R244-D283 IonicContact NH2-OD1 3.54Å; R244-D283 PolarHBondContact NH2-OD1 3.22Å; R244-D283 VanDerWaalsContact NH2-OD1 3.14Å; R244-D283 IonicContact NH2-OD2 2.81Å; R244-D283 PolarHBondContact NH2-OD2 3.48Å; L245-D283 HydrophobicContact CD2-CB 4.31Å; L279-D283 HydrophobicContact CD2-CB 4.37Å; K280-D283 PolarHBondContact N-OD2 3.16Å; K280-D283 VanDerWaalsContact O-CB 3.3Å; K280-D283 WeakPolarHBondContact O-CB 3.21Å; K280-D283 PolarHBondContact O-N 3.33Å; D281-D283 PolarHBondContact O-N 2.99Å; D281-D283 VanDerWaalsContact O-N 3.14Å
284F88.6Confident84.3Confident70 Ų7087.3 Ų87.331%0.30740%0.398SS..SBendtrans-96.4-1.5178.9-64.3-91.2000114.2V8 P9 R12 Y276 L279 D281 D282 P286V8-F284 HydrophobicContact CB-CD2 3.96Å; V8-F284 HydrophobicContact CB-CE2 4.33Å; V8-F284 HydrophobicContact CB-CG 4.2Å; V8-F284 HydrophobicContact CG1-CB 4.14Å; V8-F284 HydrophobicContact CG1-CD1 3.73Å; V8-F284 HydrophobicContact CG1-CD2 3.74Å; V8-F284 HydrophobicContact CG1-CE1 4.01Å; V8-F284 HydrophobicContact CG1-CE2 4.04Å; V8-F284 HydrophobicContact CG1-CG 3.58Å; V8-F284 HydrophobicContact CG1-CZ 4.16Å; P9-F284 HydrophobicContact CB-CE2 4.08Å; P9-F284 HydrophobicContact CB-CZ 4.48Å; P9-F284 HydrophobicContact CG-CE2 3.79Å; R12-F284 HydrophobicContact CG-CE1 4.47Å; Y276-F284 AromaticContact CD1-CZ 3.97Å; Y276-F284 HydrophobicContact CD1-CZ 3.97Å; Y276-F284 HydrophobicContact CE1-CE1 4.23Å; Y276-F284 AromaticContact CE1-CZ 3.93Å; Y276-F284 HydrophobicContact CE1-CZ 3.93Å; L279-F284 HydrophobicContact CB-CE2 4.02Å; L279-F284 HydrophobicContact CB-CZ 4.45Å; L279-F284 HydrophobicContact CD1-CE2 4Å; L279-F284 HydrophobicContact CD1-CZ 3.66Å; D281-F284 PolarHBondContact O-N 3.21Å; D282-F284 VanDerWaalsContact C-N 3.27Å; F284-P286 WeakPolarHBondContact O-CD 3.38Å
285N83.7Confident83.6Confident76 Ų7691.6 Ų91.641%0.40643%0.428SS..  trans-94.6102-179.6-173.7-2.5000111.3R287 R288N285-R287 VanDerWaalsContact C-N 3.26Å; N285-R287 PolarHBondContact O-N 2.75Å; N285-R287 PolarHBondContact OD1-N 3.22Å; N285-R287 VanDerWaalsContact OD1-N 3.12Å; N285-R288 HydrophobicContact CB-CB 4.44Å; N285-R288 PolarHBondContact O-N 3.09Å
286P70.8Confident82.9Confident124 Ų12492.3 Ų92.381%0.80544%0.435SS*.THydrogen-bonded Turntrans-69.2-23.3-178.728.6-35.6000113F284 R288F284-P286 WeakPolarHBondContact O-CD 3.38Å; P286-R288 VanDerWaalsContact C-N 3.29Å; P286-R288 PolarHBondContact O-N 3.07Å
287R71.5Confident82.5Confident227 Ų22794.2 Ų94.286%0.85745%0.448SS*.THydrogen-bonded Turntrans-82-5.7-176.1-64.5-177.3-179.1177.5-0.4113.3N285 R289N285-R287 VanDerWaalsContact C-N 3.26Å; N285-R287 PolarHBondContact O-N 2.75Å; N285-R287 PolarHBondContact OD1-N 3.22Å; N285-R287 VanDerWaalsContact OD1-N 3.12Å; R287-R289 PolarHBondContact O-N 2.88Å
288R68.6Low82.2Confident139 Ų139100.3 Ų100.353%0.52548%0.479SS..  trans-76.699.7-177.3-167.2-180-173.7-175.310.9110.3D282 N285 P286 R290D282-R288 IonicContact OD1-NH1 2.75Å; D282-R288 PolarHBondContact OD1-NH1 3.47Å; D282-R288 IonicContact OD2-CZ 3.26Å; D282-R288 IonicContact OD2-NH1 3.34Å; D282-R288 PolarHBondContact OD2-NH1 3.29Å; D282-R288 IonicContact OD2-NH2 3.47Å; N285-R288 HydrophobicContact CB-CB 4.44Å; N285-R288 PolarHBondContact O-N 3.09Å; P286-R288 VanDerWaalsContact C-N 3.29Å; P286-R288 PolarHBondContact O-N 3.07Å; R288-R290 PolarHBondContact O-N 3.49Å
289R63.4Low81.7Confident230 Ų230101.9 Ų101.987%0.86849%0.49SS*.  trans-63.1127.3164-67.8-174.2-180176.60.4108.9R287 K291R287-R289 PolarHBondContact O-N 2.88Å; R289-K291 PolarHBondContact O-N 3.11Å
290R66.8Low81.5Confident108 Ų108104 Ų10441%0.40850%0.499SS..  trans-63.2103.7173.3-172.3178.5-169.4155.66.3108.1R288 W292 G296 F300R288-R290 PolarHBondContact O-N 3.49Å; R290-W292 PolarHBondContact O-N 2.9Å; R290-G296 PolarHBondContact NH2-O 3.41Å; R290-F300 VanDerWaalsContact NH2-CB 3.26Å
291K67.7Low81.5Confident182 Ų182102.3 Ų102.379%0.79150%0.503SS*.  trans-73.3115.5166.9-68-170.4178.2-173.40107R289 T293R289-K291 PolarHBondContact O-N 3.11Å; K291-T293 PolarHBondContact O-N 3.41Å
292W73.9Confident81.6Confident147 Ų147100.4 Ų100.456%0.55750%0.496SS*.  trans-73.481.8175.8-66.1101.3000109.3R290 L297 F300R290-W292 PolarHBondContact O-N 2.9Å; W292-L297 HydrophobicContact CD2-CD2 4.32Å; W292-L297 HydrophobicContact CE3-CD2 3.33Å; W292-L297 HydrophobicContact CE3-CG 3.73Å; W292-L297 HydrophobicContact CZ3-CD2 3.55Å; W292-L297 HydrophobicContact CZ3-CG 4.32Å; W292-F300 HydrophobicContact CZ3-CD1 4.32Å; W292-F300 HydrophobicContact CZ3-CG 4.49Å
293T82.7Confident81.9Confident80 Ų8097 Ų9749%0.49148%0.478SS..  trans-79.2156.316559.90000109.2K291 S295 G296 L297K291-T293 PolarHBondContact O-N 3.41Å; T293-S295 VanDerWaalsContact C-N 3.27Å; T293-S295 PolarHBondContact O-N 3.03Å; T293-G296 CarbonylContact O-C 3.2Å; T293-G296 WeakPolarHBondContact O-CA 3.29Å; T293-G296 PolarHBondContact O-N 3.37Å; T293-G296 PolarHBondContact OG1-N 3.44Å; T293-G296 VanDerWaalsContact OG1-N 3.11Å; T293-L297 PolarHBondContact O-N 2.84Å
294V84.7Confident82Confident126 Ų126100.6 Ų100.676%0.76449%0.489SS*.Hα-helixtrans-54.8-43.7176.4178.80000111.3G296 L297 L298V294-G296 VanDerWaalsContact C-N 3.31Å; V294-G296 PolarHBondContact O-N 3.47Å; V294-L297 PolarHBondContact O-N 3.16Å; V294-L298 PolarHBondContact O-N 3.29Å
295S83.7Confident82.4Confident90 Ų90103.8 Ų103.863%0.62950%0.504SS*.Hα-helixtrans-62.5-36173.1177.60000112.9T293 L298 S299T293-S295 VanDerWaalsContact C-N 3.27Å; T293-S295 PolarHBondContact O-N 3.03Å; S295-L298 PolarHBondContact O-N 3.26Å; S295-S299 WeakPolarHBondContact O-CB 3.48Å; S295-S299 PolarHBondContact O-N 3.21Å; S295-S299 PolarHBondContact O-OG 3.22Å
296G84.7Confident82.8Confident14 Ų14102.7 Ų102.714%0.14450%0.498CS..Hα-helixtrans-68.3-32.9175.400000113.9R290 T293 V294 S299 F300R290-G296 PolarHBondContact NH2-O 3.41Å; T293-G296 CarbonylContact O-C 3.2Å; T293-G296 WeakPolarHBondContact O-CA 3.29Å; T293-G296 PolarHBondContact O-N 3.37Å; T293-G296 PolarHBondContact OG1-N 3.44Å; T293-G296 VanDerWaalsContact OG1-N 3.11Å; V294-G296 VanDerWaalsContact C-N 3.31Å; V294-G296 PolarHBondContact O-N 3.47Å; G296-S299 PolarHBondContact O-OG 3.18Å; G296-F300 WeakPolarHBondContact O-CB 3.12Å; G296-F300 PolarHBondContact O-N 3.02Å
297L88.5Confident83.9Confident87 Ų8797.2 Ų97.246%0.45546%0.461SS..Hα-helixtrans-71.7-47.5171.7-79.8159.4000111W292 T293 V294 S299 F300 A301W292-L297 HydrophobicContact CD2-CD2 4.32Å; W292-L297 HydrophobicContact CE3-CD2 3.33Å; W292-L297 HydrophobicContact CE3-CG 3.73Å; W292-L297 HydrophobicContact CZ3-CD2 3.55Å; W292-L297 HydrophobicContact CZ3-CG 4.32Å; T293-L297 PolarHBondContact O-N 2.84Å; V294-L297 PolarHBondContact O-N 3.16Å; L297-S299 PolarHBondContact O-N 3.14Å; L297-F300 VanDerWaalsContact O-CB 3.27Å; L297-F300 WeakPolarHBondContact O-CB 3.49Å; L297-F300 PolarHBondContact O-N 3.14Å; L297-F300 VanDerWaalsContact O-N 3.12Å; L297-A301 PolarHBondContact O-N 2.83Å
298L90.6Very high85Confident127 Ų12791.5 Ų91.567%0.66545%0.446SS*.Hα-helixtrans-62.4-45.2-180-174.364.7000111.9V294 S295 F300 A301 A302V294-L298 PolarHBondContact O-N 3.29Å; S295-L298 PolarHBondContact O-N 3.26Å; L298-F300 VanDerWaalsContact C-N 3.25Å; L298-F300 PolarHBondContact O-N 3.42Å; L298-A301 PolarHBondContact O-N 3.46Å; L298-A302 VanDerWaalsContact O-CB 3.25Å; L298-A302 WeakPolarHBondContact O-CB 3.44Å; L298-A302 PolarHBondContact O-N 3.12Å
299S89Confident86.1Confident33 Ų3386.5 Ų86.523%0.23143%0.433CS..Hα-helixtrans-65.2-28.5175.657.70000113.1S295 G296 L297 S303S295-S299 WeakPolarHBondContact O-CB 3.48Å; S295-S299 PolarHBondContact O-N 3.21Å; S295-S299 PolarHBondContact O-OG 3.22Å; G296-S299 PolarHBondContact O-OG 3.18Å; L297-S299 PolarHBondContact O-N 3.14Å; S299-S303 WeakPolarHBondContact O-CB 3.46Å; S299-S303 PolarHBondContact O-N 2.73Å; S299-S303 PolarHBondContact O-OG 2.94Å
300F90.7Very high87.4Confident61 Ų6176.6 Ų76.627%0.26840%0.398SS..Hα-helixtrans-69-51.8172.8-172.9-114.7000111.7T242 R290 W292 G296 L297 L298 A302 S303 W304T242-F300 WeakPolarHBondContact OG1-CD2 3.35Å; R290-F300 VanDerWaalsContact NH2-CB 3.26Å; W292-F300 HydrophobicContact CZ3-CD1 4.32Å; W292-F300 HydrophobicContact CZ3-CG 4.49Å; G296-F300 WeakPolarHBondContact O-CB 3.12Å; G296-F300 PolarHBondContact O-N 3.02Å; L297-F300 VanDerWaalsContact O-CB 3.27Å; L297-F300 WeakPolarHBondContact O-CB 3.49Å; L297-F300 PolarHBondContact O-N 3.14Å; L297-F300 VanDerWaalsContact O-N 3.12Å; L298-F300 VanDerWaalsContact C-N 3.25Å; L298-F300 PolarHBondContact O-N 3.42Å; F300-A302 VanDerWaalsContact C-N 3.34Å; F300-A302 PolarHBondContact O-N 3.34Å; F300-S303 WeakPolarHBondContact O-CB 3.15Å; F300-S303 PolarHBondContact O-N 3.01Å; F300-W304 AromaticContact CD2-CD1 3.83Å; F300-W304 AromaticContact CD2-NE1 3.9Å; F300-W304 AromaticContact CE1-CD1 3.67Å; F300-W304 AromaticContact CE1-NE1 3.82Å; F300-W304 AromaticContact CE2-CD1 3.5Å; F300-W304 AromaticContact CE2-NE1 3.13Å; F300-W304 AromaticContact CZ-CD1 3.43Å; F300-W304 VanDerWaalsContact CZ-CD1 3.43Å; F300-W304 AromaticContact CZ-NE1 3.09Å; F300-W304 PolarHBondContact O-N 3.28Å
301A92.7Very high88.5Confident57 Ų5775.3 Ų75.347%0.47140%0.396SS..Hα-helixtrans-59.7-46.317800000110.6L297 L298 S303 W304 F305L297-A301 PolarHBondContact O-N 2.83Å; L298-A301 PolarHBondContact O-N 3.46Å; A301-S303 VanDerWaalsContact C-N 3.35Å; A301-S303 PolarHBondContact O-N 3.08Å; A301-W304 PolarHBondContact O-N 2.82Å; A301-F305 VanDerWaalsContact O-CB 3.31Å; A301-F305 WeakPolarHBondContact O-CB 3.32Å; A301-F305 PolarHBondContact O-N 3.4Å
302A93.2Very high89.5Confident29 Ų2968.6 Ų68.624%0.2438%0.378CS..Hα-helixtrans-61.3-39.9175.700000112.6F240 L298 F300 L306F240-A302 HydrophobicContact CD2-CB 4.16Å; F240-A302 HydrophobicContact CE2-CB 3.68Å; F240-A302 HydrophobicContact CZ-CB 4.07Å; L298-A302 VanDerWaalsContact O-CB 3.25Å; L298-A302 WeakPolarHBondContact O-CB 3.44Å; L298-A302 PolarHBondContact O-N 3.12Å; F300-A302 VanDerWaalsContact C-N 3.34Å; F300-A302 PolarHBondContact O-N 3.34Å; A302-L306 WeakPolarHBondContact O-CB 3.5Å; A302-L306 VanDerWaalsContact O-CG 3.29Å; A302-L306 WeakPolarHBondContact O-CG 3.14Å; A302-L306 PolarHBondContact O-N 3.45Å
303S93.2Very high90.1Very high0 Ų066.5 Ų66.50%038%0.376CS..Hα-helixtrans-61.6-49.3175.2-61.10000111.6F240 S299 F300 A301 F305 L306 I307F240-S303 WeakPolarHBondContact CB-OG 3.46Å; S299-S303 WeakPolarHBondContact O-CB 3.46Å; S299-S303 PolarHBondContact O-N 2.73Å; S299-S303 PolarHBondContact O-OG 2.94Å; F300-S303 WeakPolarHBondContact O-CB 3.15Å; F300-S303 PolarHBondContact O-N 3.01Å; A301-S303 VanDerWaalsContact C-N 3.35Å; A301-S303 PolarHBondContact O-N 3.08Å; S303-F305 VanDerWaalsContact C-N 3.34Å; S303-L306 PolarHBondContact O-N 2.86Å; S303-I307 WeakPolarHBondContact O-CB 3.4Å; S303-I307 WeakPolarHBondContact O-CD1 3.42Å; S303-I307 WeakPolarHBondContact O-CG1 3.49Å; S303-I307 PolarHBondContact O-N 2.93Å
304W94.1Very high90.4Very high105 Ų10563.3 Ų63.340%0.39836%0.358SS..Hα-helixtrans-67.6-37.3-178.9-84.6113.1000111.8T242 F300 A301 L306 I307 I308T242-W304 HydrophobicContact CG2-CZ2 4.37Å; F300-W304 AromaticContact CD2-CD1 3.83Å; F300-W304 AromaticContact CD2-NE1 3.9Å; F300-W304 AromaticContact CE1-CD1 3.67Å; F300-W304 AromaticContact CE1-NE1 3.82Å; F300-W304 AromaticContact CE2-CD1 3.5Å; F300-W304 AromaticContact CE2-NE1 3.13Å; F300-W304 AromaticContact CZ-CD1 3.43Å; F300-W304 VanDerWaalsContact CZ-CD1 3.43Å; F300-W304 AromaticContact CZ-NE1 3.09Å; F300-W304 PolarHBondContact O-N 3.28Å; A301-W304 PolarHBondContact O-N 2.82Å; W304-L306 VanDerWaalsContact C-N 3.34Å; W304-L306 PolarHBondContact O-N 3.45Å; W304-I307 HydrophobicContact CE3-CB 4.47Å; W304-I307 HydrophobicContact CE3-CD1 4.49Å; W304-I307 HydrophobicContact CE3-CG2 4.33Å; W304-I307 HydrophobicContact CZ3-CG2 4.33Å; W304-I307 PolarHBondContact O-N 3.27Å; W304-I308 HydrophobicContact CB-CD1 4.41Å; W304-I308 HydrophobicContact CE3-CD1 4.36Å; W304-I308 HydrophobicContact CE3-CG1 4.31Å; W304-I308 WeakPolarHBondContact O-CB 3.29Å; W304-I308 WeakPolarHBondContact O-CD1 3.27Å; W304-I308 WeakPolarHBondContact O-CG1 3.28Å; W304-I308 PolarHBondContact O-N 2.77Å
305F95.2Very high90.3Very high138 Ų13858.5 Ų58.561%0.60533%0.333SS*.Hα-helixtrans-57.2-47.3171.1177.5-97.8000111.4A301 S303 S309A301-F305 VanDerWaalsContact O-CB 3.31Å; A301-F305 WeakPolarHBondContact O-CB 3.32Å; A301-F305 PolarHBondContact O-N 3.4Å; S303-F305 VanDerWaalsContact C-N 3.34Å; F305-S309 VanDerWaalsContact O-CB 3.23Å; F305-S309 WeakPolarHBondContact O-CB 3.29Å; F305-S309 PolarHBondContact O-N 3.33Å; F305-S309 PolarHBondContact O-OG 2.84Å
306L94.1Very high90.2Very high53 Ų5363.2 Ų63.228%0.27734%0.338SS..Hα-helixtrans-66.4-42.9178-71.2172.2000112.7L235 V238 F240 A302 S303 W304 S309 V310L235-L306 HydrophobicContact CD2-CB 4.21Å; V238-L306 HydrophobicContact CG1-CD1 3.81Å; V238-L306 HydrophobicContact CG2-CD1 4.12Å; F240-L306 HydrophobicContact CD2-CD1 4.11Å; F240-L306 HydrophobicContact CE2-CD1 3.95Å; A302-L306 WeakPolarHBondContact O-CB 3.5Å; A302-L306 VanDerWaalsContact O-CG 3.29Å; A302-L306 WeakPolarHBondContact O-CG 3.14Å; A302-L306 PolarHBondContact O-N 3.45Å; S303-L306 PolarHBondContact O-N 2.86Å; W304-L306 VanDerWaalsContact C-N 3.34Å; W304-L306 PolarHBondContact O-N 3.45Å; L306-S309 PolarHBondContact O-N 3Å; L306-V310 WeakPolarHBondContact O-CG2 3.42Å; L306-V310 PolarHBondContact O-N 2.91Å
307I93.7Very high90.3Very high8 Ų865.8 Ų65.84%0.04135%0.349CS..Hα-helixtrans-62.7-51.6177.2-68.9159.2000109.7L235 T242 V246 S303 W304 S309 V310 F311L235-I307 HydrophobicContact CD1-CG1 4.32Å; T242-I307 HydrophobicContact CG2-CD1 3.91Å; V246-I307 HydrophobicContact CB-CD1 4.06Å; V246-I307 HydrophobicContact CB-CG1 4.5Å; V246-I307 HydrophobicContact CG1-CD1 4.41Å; V246-I307 HydrophobicContact CG1-CG1 4.43Å; V246-I307 HydrophobicContact CG1-CG2 4.43Å; V246-I307 HydrophobicContact CG2-CD1 3.75Å; S303-I307 WeakPolarHBondContact O-CB 3.4Å; S303-I307 WeakPolarHBondContact O-CD1 3.42Å; S303-I307 WeakPolarHBondContact O-CG1 3.49Å; S303-I307 PolarHBondContact O-N 2.93Å; W304-I307 HydrophobicContact CE3-CB 4.47Å; W304-I307 HydrophobicContact CE3-CD1 4.49Å; W304-I307 HydrophobicContact CE3-CG2 4.33Å; W304-I307 HydrophobicContact CZ3-CG2 4.33Å; W304-I307 PolarHBondContact O-N 3.27Å; I307-S309 VanDerWaalsContact C-N 3.27Å; I307-S309 PolarHBondContact O-N 3.43Å; I307-V310 PolarHBondContact O-N 3.33Å; I307-V310 VanDerWaalsContact O-N 3.16Å; I307-F311 HydrophobicContact CG2-CD2 3.73Å; I307-F311 HydrophobicContact CG2-CE2 4.01Å; I307-F311 WeakPolarHBondContact O-CD2 3.49Å; I307-F311 PolarHBondContact O-N 3.15Å
308I93.2Very high90.3Very high107 Ų10762.1 Ų62.155%0.54933%0.329SS..Hα-helixtrans-62.4-37178.8-67.3165.7000110.4W304 G312W304-I308 HydrophobicContact CB-CD1 4.41Å; W304-I308 HydrophobicContact CE3-CD1 4.36Å; W304-I308 HydrophobicContact CE3-CG1 4.31Å; W304-I308 WeakPolarHBondContact O-CB 3.29Å; W304-I308 WeakPolarHBondContact O-CD1 3.27Å; W304-I308 WeakPolarHBondContact O-CG1 3.28Å; W304-I308 PolarHBondContact O-N 2.77Å; I308-G312 VanDerWaalsContact O-CA 3.23Å; I308-G312 WeakPolarHBondContact O-CA 3.42Å; I308-G312 PolarHBondContact O-N 2.9Å
309S92Very high90.1Very high34 Ų3460.2 Ų60.224%0.23832%0.32CS..Hα-helixtrans-64-46.5173.5-610000111.3F305 L306 I307 I313F305-S309 VanDerWaalsContact O-CB 3.23Å; F305-S309 WeakPolarHBondContact O-CB 3.29Å; F305-S309 PolarHBondContact O-N 3.33Å; F305-S309 PolarHBondContact O-OG 2.84Å; L306-S309 PolarHBondContact O-N 3Å; I307-S309 VanDerWaalsContact C-N 3.27Å; I307-S309 PolarHBondContact O-N 3.43Å; S309-I313 WeakPolarHBondContact O-CB 3.3Å; S309-I313 WeakPolarHBondContact O-CD1 3.3Å; S309-I313 WeakPolarHBondContact O-CG1 3.35Å; S309-I313 PolarHBondContact O-N 3.27Å
310V91.4Very high90Very high22 Ų2262.9 Ų62.913%0.13333%0.327CS..Hα-helixtrans-62.2-51.6178.2164.10000111.2P231 L235 L306 I307 S314P231-V310 HydrophobicContact CB-CG1 3.96Å; P231-V310 HydrophobicContact CG-CG1 4.1Å; L235-V310 HydrophobicContact CD1-CB 4.37Å; L235-V310 HydrophobicContact CD1-CG2 3.93Å; L235-V310 HydrophobicContact CD2-CG2 3.99Å; L235-V310 HydrophobicContact CG-CG2 4Å; L306-V310 WeakPolarHBondContact O-CG2 3.42Å; L306-V310 PolarHBondContact O-N 2.91Å; I307-V310 PolarHBondContact O-N 3.33Å; I307-V310 VanDerWaalsContact O-N 3.16Å; V310-S314 WeakPolarHBondContact O-CB 3.38Å; V310-S314 PolarHBondContact O-N 3.42Å; V310-S314 PolarHBondContact O-OG 3.12Å
311F89.8Confident89.7Confident82 Ų8263.2 Ų63.236%0.3634%0.338SS..Hα-helixtrans-70-36.9-179.2-81.7-87.2000112.4I227 V246 I307 G315I227-F311 HydrophobicContact CG2-CD1 3.96Å; I227-F311 HydrophobicContact CG2-CE1 3.73Å; I227-F311 HydrophobicContact CG2-CZ 4.16Å; V246-F311 HydrophobicContact CG1-CE2 4.4Å; I307-F311 HydrophobicContact CG2-CD2 3.73Å; I307-F311 HydrophobicContact CG2-CE2 4.01Å; I307-F311 WeakPolarHBondContact O-CD2 3.49Å; I307-F311 PolarHBondContact O-N 3.15Å; F311-G315 VanDerWaalsContact O-CA 3.31Å; F311-G315 WeakPolarHBondContact O-CA 3.41Å; F311-G315 PolarHBondContact O-N 3.1Å
312G87.6Confident89.4Confident41 Ų4167.7 Ų67.742%0.42335%0.352SS..Hα-helixtrans-71.7-45.4178.900000112.8I308 G315 Y316I308-G312 VanDerWaalsContact O-CA 3.23Å; I308-G312 WeakPolarHBondContact O-CA 3.42Å; I308-G312 PolarHBondContact O-N 2.9Å; G312-G315 CarbonylContact O-C 3.52Å; G312-G315 WeakPolarHBondContact O-CA 3.45Å; G312-G315 PolarHBondContact O-N 3.18Å; G312-Y316 WeakPolarHBondContact O-CB 3.37Å; G312-Y316 PolarHBondContact O-N 3.45Å
313I88.2Confident88.8Confident102 Ų10269.4 Ų69.452%0.52336%0.362SS..Hα-helixtrans-65.7-46.3174.9-66.2166.1000109.8S309 G315 Y316 L317S309-I313 WeakPolarHBondContact O-CB 3.3Å; S309-I313 WeakPolarHBondContact O-CD1 3.3Å; S309-I313 WeakPolarHBondContact O-CG1 3.35Å; S309-I313 PolarHBondContact O-N 3.27Å; I313-G315 PolarHBondContact O-N 3.12Å; I313-Y316 PolarHBondContact O-N 3.14Å; I313-Y316 VanDerWaalsContact O-N 3.17Å; I313-L317 HydrophobicContact CG2-CD1 3.85Å; I313-L317 HydrophobicContact CG2-CG 4.26Å; I313-L317 WeakPolarHBondContact O-CB 3.43Å; I313-L317 VanDerWaalsContact O-CG 3.24Å; I313-L317 WeakPolarHBondContact O-CG 3.16Å; I313-L317 PolarHBondContact O-N 2.89Å
314S87.6Confident88Confident14 Ų1476.9 Ų76.910%0.09840%0.402CS..Hα-helixtrans-62.8-35.7175.5-51.60000111.3P231 V310 Y316 L317 L318P231-S314 WeakPolarHBondContact CG-OG 3.37Å; V310-S314 WeakPolarHBondContact O-CB 3.38Å; V310-S314 PolarHBondContact O-N 3.42Å; V310-S314 PolarHBondContact O-OG 3.12Å; S314-Y316 VanDerWaalsContact C-N 3.34Å; S314-L317 PolarHBondContact O-N 3.48Å; S314-L318 WeakPolarHBondContact O-CB 3.29Å; S314-L318 VanDerWaalsContact O-CG 3.27Å; S314-L318 WeakPolarHBondContact O-CG 3.38Å; S314-L318 PolarHBondContact O-N 3.47Å
315G83.1Confident87.4Confident24 Ų2482.5 Ų82.525%0.24743%0.425CS..Hα-helixtrans-64.4-35.1175.200000113.6F311 G312 I313 F320F311-G315 VanDerWaalsContact O-CA 3.31Å; F311-G315 WeakPolarHBondContact O-CA 3.41Å; F311-G315 PolarHBondContact O-N 3.1Å; G312-G315 CarbonylContact O-C 3.52Å; G312-G315 WeakPolarHBondContact O-CA 3.45Å; G312-G315 PolarHBondContact O-N 3.18Å; I313-G315 PolarHBondContact O-N 3.12Å; G315-F320 WeakPolarHBondContact O-CD2 3.43Å
316Y81.9Confident86.9Confident189 Ų18977.8 Ų77.874%0.74141%0.409SS*.Hα-helixtrans-77.6-38.4174.8174.7-96.2000112G312 I313 S314 L318G312-Y316 WeakPolarHBondContact O-CB 3.37Å; G312-Y316 PolarHBondContact O-N 3.45Å; I313-Y316 PolarHBondContact O-N 3.14Å; I313-Y316 VanDerWaalsContact O-N 3.17Å; S314-Y316 VanDerWaalsContact C-N 3.34Å; Y316-L318 PolarHBondContact O-N 3.39Å
317L87.1Confident86.5Confident69 Ų6977.1 Ų77.136%0.36141%0.407SS..Hα-helixtrans-69.7-21.4177.6-71.7176000112.9I313 S314 G332 F333I313-L317 HydrophobicContact CG2-CD1 3.85Å; I313-L317 HydrophobicContact CG2-CG 4.26Å; I313-L317 WeakPolarHBondContact O-CB 3.43Å; I313-L317 VanDerWaalsContact O-CG 3.24Å; I313-L317 WeakPolarHBondContact O-CG 3.16Å; I313-L317 PolarHBondContact O-N 2.89Å; S314-L317 PolarHBondContact O-N 3.48Å; L317-G332 VanDerWaalsContact O-CA 3.23Å; L317-G332 WeakPolarHBondContact O-CA 3.33Å; L317-G332 PolarHBondContact O-N 3.33Å; L317-F333 HydrophobicContact CB-CD1 4.02Å; L317-F333 HydrophobicContact CB-CE1 4.47Å; L317-F333 WeakPolarHBondContact O-CD1 3.33Å
318L88.1Confident86.1Confident9 Ų977.8 Ų77.85%0.04742%0.416CS..EExtended strand (participates in β ladder)trans-100.7112.5171.5-65.2170.3000107.6L190 A223 I227 S314 Y316 F320 S330 V331L190-L318 HydrophobicContact CD1-CD2 4.44Å; A223-L318 HydrophobicContact CB-CD1 3.77Å; I227-L318 HydrophobicContact CD1-CD1 4.22Å; I227-L318 HydrophobicContact CG1-CD1 4.34Å; S314-L318 WeakPolarHBondContact O-CB 3.29Å; S314-L318 VanDerWaalsContact O-CG 3.27Å; S314-L318 WeakPolarHBondContact O-CG 3.38Å; S314-L318 PolarHBondContact O-N 3.47Å; Y316-L318 PolarHBondContact O-N 3.39Å; L318-F320 HydrophobicContact CB-CD2 4.25Å; L318-F320 HydrophobicContact CB-CE2 3.53Å; L318-F320 HydrophobicContact CB-CZ 3.81Å; L318-F320 HydrophobicContact CD1-CE2 4.36Å; L318-F320 HydrophobicContact CD1-CZ 4.09Å; L318-F320 WeakPolarHBondContact O-CD2 3.44Å; L318-F320 WeakPolarHBondContact O-CE2 3.34Å; L318-F320 PolarHBondContact O-N 2.91Å; L318-S330 CarbonylContact C-O 3.57Å; L318-S330 WeakPolarHBondContact CA-O 3.08Å; L318-V331 HydrophobicContact CD2-CG2 4.43Å
319N86.2Confident85.9Confident88 Ų8873.1 Ų73.147%0.47139%0.394SS..EExtended strand (participates in β ladder)trans-70.3103.7-179-71.7-26000109.6A329 S330 G332N319-A329 WeakPolarHBondContact O-CA 3.28Å; N319-S330 WeakPolarHBondContact CB-OG 3.43Å; N319-S330 PolarHBondContact N-O 2.77Å; N319-S330 PolarHBondContact O-N 3.19Å; N319-G332 VanDerWaalsContact ND2-CA 3.29Å; N319-G332 WeakPolarHBondContact ND2-CA 3.46Å
320F86.7Confident85.9Confident88 Ų8874.2 Ų74.239%0.38640%0.401SS..EExtended strand (participates in β ladder)trans-92.4132.6173.4-65.5-76.9000111.2L220 A223 G315 L318 V327 G328 A329L220-F320 HydrophobicContact CD2-CD1 4.03Å; L220-F320 HydrophobicContact CD2-CE1 3.57Å; A223-F320 HydrophobicContact CB-CZ 4.4Å; G315-F320 WeakPolarHBondContact O-CD2 3.43Å; L318-F320 HydrophobicContact CB-CD2 4.25Å; L318-F320 HydrophobicContact CB-CE2 3.53Å; L318-F320 HydrophobicContact CB-CZ 3.81Å; L318-F320 HydrophobicContact CD1-CE2 4.36Å; L318-F320 HydrophobicContact CD1-CZ 4.09Å; L318-F320 WeakPolarHBondContact O-CD2 3.44Å; L318-F320 WeakPolarHBondContact O-CE2 3.34Å; L318-F320 PolarHBondContact O-N 2.91Å; F320-V327 HydrophobicContact CD1-CG1 3.97Å; F320-G328 CarbonylContact C-O 3.56Å; F320-G328 VanDerWaalsContact CA-O 3.26Å; F320-G328 WeakPolarHBondContact CA-O 3.27Å; F320-A329 HydrophobicContact CD1-CB 3.81Å; F320-A329 HydrophobicContact CE1-CB 3.65Å
321S85.3Confident85.9Confident69 Ų6974.3 Ų74.348%0.48340%0.402SS..EExtended strand (participates in β ladder)trans-125.6136.2170.462.90000109.7V327 G328S321-V327 CarbonylContact O-C 3.58Å; S321-V327 WeakPolarHBondContact O-CA 3.31Å; S321-G328 PolarHBondContact N-O 3.43Å; S321-G328 PolarHBondContact O-N 3.28Å
322I85.8Confident86Confident150 Ų15072.2 Ų72.277%0.76940%0.404SS*.EExtended strand (participates in β ladder)trans-103.3122.4176-59.3172.6000107
323S81.6Confident86.3Confident66 Ų6672 Ų7246%0.46239%0.391SS..EExtended strand (participates in β ladder)trans-132.6115.217661.90000110.3Y325 S326S323-Y325 PolarHBondContact O-N 3.44Å; S323-S326 PolarHBondContact N-O 2.95Å; S323-S326 PolarHBondContact O-N 3.46Å; S323-S326 PolarHBondContact O-OG 3.47Å; S323-S326 PolarHBondContact OG-OG 3.33Å
324N75.1Confident86.5Confident157 Ų15770.7 Ų70.784%0.8439%0.388SS*.THydrogen-bonded Turntrans40.2-46.9-178.2-74.1-6.4000119.2
325Y81.2Confident86.8Confident222 Ų22275.3 Ų75.387%0.87141%0.406SS*.THydrogen-bonded Turntrans-154.813.5169.4-69.1-74.2000113.2S323S323-Y325 PolarHBondContact O-N 3.44Å
326S84.6Confident87.4Confident39 Ų3982.9 Ų82.927%0.27343%0.432SS..EExtended strand (participates in β ladder)trans-123.6144.3-179.171.90000110.6S323S323-S326 PolarHBondContact N-O 2.95Å; S323-S326 PolarHBondContact O-N 3.46Å; S323-S326 PolarHBondContact O-OG 3.47Å; S323-S326 PolarHBondContact OG-OG 3.33Å
327V87.4Confident88Confident39 Ų3978.9 Ų78.924%0.23642%0.42CS..EExtended strand (participates in β ladder)trans-105.5104.4173.9-172.90000108W216 L220 F320 S321W216-V327 HydrophobicContact CE3-CB 4.18Å; W216-V327 HydrophobicContact CE3-CG2 4.39Å; W216-V327 HydrophobicContact CZ3-CG2 4.32Å; L220-V327 HydrophobicContact CD1-CB 4.15Å; L220-V327 HydrophobicContact CD1-CG2 4.5Å; L220-V327 HydrophobicContact CD2-CB 4.27Å; L220-V327 HydrophobicContact CD2-CG1 3.88Å; L220-V327 HydrophobicContact CG-CB 4.49Å; F320-V327 HydrophobicContact CD1-CG1 3.97Å; S321-V327 CarbonylContact O-C 3.58Å; S321-V327 WeakPolarHBondContact O-CA 3.31Å
328G85.5Confident88.4Confident22 Ų2276.1 Ų76.123%0.22741%0.405CS..EExtended strand (participates in β ladder)trans-66.7135.316700000109.4F320 S321F320-G328 CarbonylContact C-O 3.56Å; F320-G328 VanDerWaalsContact CA-O 3.26Å; F320-G328 WeakPolarHBondContact CA-O 3.27Å; S321-G328 PolarHBondContact N-O 3.43Å; S321-G328 PolarHBondContact O-N 3.28Å
329A88.4Confident88.7Confident10 Ų1078.1 Ų78.18%0.08342%0.423CS..EExtended strand (participates in β ladder)trans-133.2133.3171.800000108L190 N219 L220 N319 F320L190-A329 HydrophobicContact CD1-CB 3.82Å; N219-A329 HydrophobicContact CB-CB 4.32Å; L220-A329 HydrophobicContact CD2-CB 4.26Å; N319-A329 WeakPolarHBondContact O-CA 3.28Å; F320-A329 HydrophobicContact CD1-CB 3.81Å; F320-A329 HydrophobicContact CE1-CB 3.65Å
330S90.6Very high89.1Confident56 Ų5682.2 Ų82.239%0.39243%0.432SS..EExtended strand (participates in β ladder)trans-142.3161.7172.6650000110.8L318 N319 G332L318-S330 CarbonylContact C-O 3.57Å; L318-S330 WeakPolarHBondContact CA-O 3.08Å; N319-S330 WeakPolarHBondContact CB-OG 3.43Å; N319-S330 PolarHBondContact N-O 2.77Å; N319-S330 PolarHBondContact O-N 3.19Å; S330-G332 PolarHBondContact O-N 2.98Å
331V92.4Very high89.5Confident25 Ų2580.8 Ų80.815%0.15243%0.426CS..EExtended strand (participates in β ladder)trans-76.6118.9176.2176.90000109W188 L190 L318 F333W188-V331 HydrophobicContact CE3-CB 4.23Å; W188-V331 HydrophobicContact CE3-CG1 3.75Å; W188-V331 HydrophobicContact CE3-CG2 4.48Å; W188-V331 HydrophobicContact CZ3-CB 4.49Å; W188-V331 HydrophobicContact CZ3-CG1 3.54Å; W188-V331 WeakPolarHBondContact O-CG2 3.41Å; L190-V331 HydrophobicContact CD2-CG2 3.88Å; L190-V331 HydrophobicContact CG-CG2 4.13Å; L318-V331 HydrophobicContact CD2-CG2 4.43Å; V331-F333 HydrophobicContact CG1-CD1 3.72Å; V331-F333 HydrophobicContact CG1-CD2 3.74Å; V331-F333 HydrophobicContact CG1-CE1 3.55Å; V331-F333 HydrophobicContact CG1-CE2 3.55Å; V331-F333 HydrophobicContact CG1-CG 3.83Å; V331-F333 HydrophobicContact CG1-CZ 3.46Å; V331-F333 VanDerWaalsContact CG1-CZ 3.46Å
332G91.2Very high90Very high38 Ų3877.7 Ų77.739%0.39240%0.404SS..  trans-93.12.2-177.500000115.1L317 N319 S330L317-G332 VanDerWaalsContact O-CA 3.23Å; L317-G332 WeakPolarHBondContact O-CA 3.33Å; L317-G332 PolarHBondContact O-N 3.33Å; N319-G332 VanDerWaalsContact ND2-CA 3.29Å; N319-G332 WeakPolarHBondContact ND2-CA 3.46Å; S330-G332 PolarHBondContact O-N 2.98Å
333F93.7Very high90.5Very high36 Ų3671.6 Ų71.616%0.15837%0.373CS..SBendtrans-114.9155.117855.5-95.7000112L180 W188 L317 V331 E337 F338L180-F333 HydrophobicContact CD1-CE2 4.36Å; L180-F333 HydrophobicContact CD1-CZ 4.06Å; W188-F333 AromaticContact CH2-CD2 3.87Å; W188-F333 HydrophobicContact CH2-CD2 3.87Å; W188-F333 AromaticContact CH2-CE2 3.61Å; W188-F333 HydrophobicContact CH2-CE2 3.61Å; W188-F333 AromaticContact CZ3-CD2 3.86Å; W188-F333 HydrophobicContact CZ3-CD2 3.86Å; W188-F333 AromaticContact CZ3-CE2 3.67Å; W188-F333 HydrophobicContact CZ3-CE2 3.67Å; W188-F333 WeakPolarHBondContact CZ3-O 3.04Å; L317-F333 HydrophobicContact CB-CD1 4.02Å; L317-F333 HydrophobicContact CB-CE1 4.47Å; L317-F333 WeakPolarHBondContact O-CD1 3.33Å; V331-F333 HydrophobicContact CG1-CD1 3.72Å; V331-F333 HydrophobicContact CG1-CD2 3.74Å; V331-F333 HydrophobicContact CG1-CE1 3.55Å; V331-F333 HydrophobicContact CG1-CE2 3.55Å; V331-F333 HydrophobicContact CG1-CG 3.83Å; V331-F333 HydrophobicContact CG1-CZ 3.46Å; V331-F333 VanDerWaalsContact CG1-CZ 3.46Å; F333-E337 WeakPolarHBondContact CA-OE2 3.38Å; F333-E337 HydrophobicContact CB-CB 4.44Å; F333-F338 HydrophobicContact CD2-CB 3.79Å; F333-F338 HydrophobicContact CD2-CD2 4.31Å; F333-F338 HydrophobicContact CD2-CG 4.4Å; F333-F338 HydrophobicContact CE2-CB 3.77Å; F333-F338 AromaticContact CE2-CD2 3.62Å; F333-F338 HydrophobicContact CE2-CD2 3.62Å; F333-F338 AromaticContact CE2-CG 3.89Å; F333-F338 HydrophobicContact CE2-CG 3.89Å; F333-F338 HydrophobicContact CZ-CD2 4.12Å
334T94.1Very high91.2Very high74 Ų7469.9 Ų69.945%0.45436%0.36SS..  trans-84.6163177.167.10000111.9K336 E337 F338T334-K336 PolarHBondContact O-N 3.12Å; T334-E337 WeakPolarHBondContact CB-OE2 3.26Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.32Å; T334-E337 PolarHBondContact N-OE2 3.33Å; T334-E337 PolarHBondContact O-N 2.97Å; T334-E337 VanDerWaalsContact OG1-CD 3.27Å; T334-E337 VanDerWaalsContact OG1-CG 3.3Å; T334-E337 WeakPolarHBondContact OG1-CG 3.34Å; T334-E337 PolarHBondContact OG1-N 3.37Å; T334-E337 PolarHBondContact OG1-OE2 3.24Å; T334-F338 PolarHBondContact O-N 2.89Å
335K93.9Very high92.1Very high112 Ų11262.9 Ų62.949%0.48732%0.323SS..Hα-helixtrans-58.8-35.5173.5-63-172.5178.2-167.50113D183 W188 A339D183-K335 WeakPolarHBondContact OD1-CD 3.33Å; D183-K335 WeakPolarHBondContact OD1-CE 3.37Å; D183-K335 IonicContact OD1-NZ 3.63Å; D183-K335 PolarHBondContact OD1-NZ 3.31Å; W188-K335 HydrophobicContact CH2-CB 4.39Å; W188-K335 HydrophobicContact CH2-CG 3.87Å; W188-K335 HydrophobicContact CZ2-CB 4.36Å; W188-K335 HydrophobicContact CZ2-CG 3.68Å; W188-K335 HydrophobicContact CZ3-CG 4.47Å; K335-A339 WeakPolarHBondContact O-CB 3.33Å; K335-A339 PolarHBondContact O-N 3.2Å
336K94.3Very high92.9Very high183 Ų18352.3 Ų52.380%0.79628%0.282SS*.Hα-helixtrans-68.5-44.5178.7-70.2-175.3179.4179.70111.3T334 F338 A339 W340T334-K336 PolarHBondContact O-N 3.12Å; K336-F338 VanDerWaalsContact C-N 3.34Å; K336-A339 PolarHBondContact O-N 2.91Å; K336-W340 PolarHBondContact O-N 3.31Å
337E94.7Very high93.4Very high104 Ų10455.4 Ų55.449%0.48629%0.29SS..Hα-helixtrans-63.7-41.2175.3-70.9160.9156.400111.3F333 T334 W340 F341F333-E337 WeakPolarHBondContact CA-OE2 3.38Å; F333-E337 HydrophobicContact CB-CB 4.44Å; T334-E337 WeakPolarHBondContact CB-OE2 3.26Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.32Å; T334-E337 PolarHBondContact N-OE2 3.33Å; T334-E337 PolarHBondContact O-N 2.97Å; T334-E337 VanDerWaalsContact OG1-CD 3.27Å; T334-E337 VanDerWaalsContact OG1-CG 3.3Å; T334-E337 WeakPolarHBondContact OG1-CG 3.34Å; T334-E337 PolarHBondContact OG1-N 3.37Å; T334-E337 PolarHBondContact OG1-OE2 3.24Å; E337-W340 PolarHBondContact O-N 3.35Å; E337-F341 WeakPolarHBondContact O-CB 3.48Å; E337-F341 PolarHBondContact O-N 2.83Å
338F94.9Very high93.8Very high12 Ų1260.4 Ų60.45%0.05331%0.306CS..Hα-helixtrans-64.1-43.3174.7-173.4-109000112.3V177 L180 T181 W188 I230 F333 T334 K336 W340 F341 V342V177-F338 HydrophobicContact CG1-CZ 4.5Å; L180-F338 HydrophobicContact CB-CD1 3.96Å; L180-F338 HydrophobicContact CB-CE1 3.36Å; L180-F338 HydrophobicContact CB-CE2 4.33Å; L180-F338 HydrophobicContact CB-CZ 3.59Å; L180-F338 HydrophobicContact CD1-CD2 4.04Å; L180-F338 HydrophobicContact CD1-CE1 4.11Å; L180-F338 HydrophobicContact CD1-CE2 3.48Å; L180-F338 VanDerWaalsContact CD1-CE2 3.48Å; L180-F338 HydrophobicContact CD1-CZ 3.53Å; L180-F338 HydrophobicContact CG-CE1 4.39Å; L180-F338 HydrophobicContact CG-CZ 4.18Å; T181-F338 HydrophobicContact CG2-CD1 4.41Å; T181-F338 HydrophobicContact CG2-CE1 3.78Å; W188-F338 HydrophobicContact CH2-CB 4.03Å; W188-F338 HydrophobicContact CH2-CG 4.45Å; W188-F338 HydrophobicContact CZ2-CB 4.49Å; W188-F338 HydrophobicContact CZ2-CD1 4.43Å; I230-F338 HydrophobicContact CD1-CE2 4.49Å; I230-F338 HydrophobicContact CD1-CZ 4.49Å; F333-F338 HydrophobicContact CD2-CB 3.79Å; F333-F338 HydrophobicContact CD2-CD2 4.31Å; F333-F338 HydrophobicContact CD2-CG 4.4Å; F333-F338 HydrophobicContact CE2-CB 3.77Å; F333-F338 AromaticContact CE2-CD2 3.62Å; F333-F338 HydrophobicContact CE2-CD2 3.62Å; F333-F338 AromaticContact CE2-CG 3.89Å; F333-F338 HydrophobicContact CE2-CG 3.89Å; F333-F338 HydrophobicContact CZ-CD2 4.12Å; T334-F338 PolarHBondContact O-N 2.89Å; K336-F338 VanDerWaalsContact C-N 3.34Å; F338-W340 VanDerWaalsContact C-N 3.33Å; F338-W340 PolarHBondContact O-N 2.92Å; F338-F341 HydrophobicContact CD2-CD1 4.18Å; F338-F341 HydrophobicContact CE2-CD1 4.01Å; F338-F341 HydrophobicContact CE2-CE1 4.38Å; F338-F341 WeakPolarHBondContact O-CB 3.29Å; F338-F341 PolarHBondContact O-N 3.44Å; F338-V342 HydrophobicContact CD1-CG2 4.08Å; F338-V342 HydrophobicContact CE1-CG2 3.63Å; F338-V342 HydrophobicContact CE2-CG2 4.2Å; F338-V342 HydrophobicContact CZ-CG2 3.69Å; F338-V342 WeakPolarHBondContact O-CG2 2.96Å; F338-V342 PolarHBondContact O-N 2.93Å
339A94.9Very high94.3Very high51 Ų5159.8 Ų59.842%0.42130%0.298SS..Hα-helixtrans-61-42.2175.100000111.7K335 K336 F341 V342 N343K335-A339 WeakPolarHBondContact O-CB 3.33Å; K335-A339 PolarHBondContact O-N 3.2Å; K336-A339 PolarHBondContact O-N 2.91Å; A339-F341 VanDerWaalsContact C-N 3.35Å; A339-F341 PolarHBondContact O-N 2.81Å; A339-V342 PolarHBondContact O-N 3.29Å; A339-N343 WeakPolarHBondContact O-CB 3.47Å; A339-N343 PolarHBondContact O-N 2.88Å
340W95.4Very high94.7Very high174 Ų17460.4 Ų60.466%0.65930%0.3SS*.Hα-helixtrans-60.6-43.3172.9176.388.4000111.9K336 E337 F338 N343 T344K336-W340 PolarHBondContact O-N 3.31Å; E337-W340 PolarHBondContact O-N 3.35Å; F338-W340 VanDerWaalsContact C-N 3.33Å; F338-W340 PolarHBondContact O-N 2.92Å; W340-N343 WeakPolarHBondContact O-CB 3.4Å; W340-N343 PolarHBondContact O-N 3.09Å; W340-T344 HydrophobicContact CH2-CG2 4.47Å; W340-T344 HydrophobicContact CZ2-CG2 4.44Å; W340-T344 VanDerWaalsContact O-CB 3.26Å; W340-T344 WeakPolarHBondContact O-CB 3.12Å; W340-T344 PolarHBondContact O-N 3.45Å; W340-T344 PolarHBondContact O-OG1 3.02Å
341F94.6Very high94.9Very high58 Ų5861.4 Ų61.425%0.25431%0.307SS..Hα-helixtrans-61-45.6175.5164.8-95.6000111.8I230 E337 F338 A339 T344 S345I230-F341 HydrophobicContact CG2-CE1 3.56Å; I230-F341 HydrophobicContact CG2-CZ 3.9Å; E337-F341 WeakPolarHBondContact O-CB 3.48Å; E337-F341 PolarHBondContact O-N 2.83Å; F338-F341 HydrophobicContact CD2-CD1 4.18Å; F338-F341 HydrophobicContact CE2-CD1 4.01Å; F338-F341 HydrophobicContact CE2-CE1 4.38Å; F338-F341 WeakPolarHBondContact O-CB 3.29Å; F338-F341 PolarHBondContact O-N 3.44Å; A339-F341 VanDerWaalsContact C-N 3.35Å; A339-F341 PolarHBondContact O-N 2.81Å; F341-T344 PolarHBondContact O-N 3.33Å; F341-S345 WeakPolarHBondContact CD2-OG 3.47Å; F341-S345 WeakPolarHBondContact CE2-OG 3.42Å; F341-S345 VanDerWaalsContact CZ-OG 3.3Å; F341-S345 WeakPolarHBondContact CZ-OG 3.43Å; F341-S345 WeakPolarHBondContact O-CB 3.49Å; F341-S345 PolarHBondContact O-N 3.15Å; F341-S345 PolarHBondContact O-OG 3.47Å
342V95.8Very high95Very high3 Ų365.5 Ų65.52%0.01832%0.323CS..Hα-helixtrans-61.7-48.4177.6173.20000109.9V177 F338 A339 T344 S345 V346 L405 D406V177-V342 HydrophobicContact CG1-CG1 3.93Å; V177-V342 HydrophobicContact CG1-CG2 3.71Å; V177-V342 HydrophobicContact CG2-CG2 4.35Å; F338-V342 HydrophobicContact CD1-CG2 4.08Å; F338-V342 HydrophobicContact CE1-CG2 3.63Å; F338-V342 HydrophobicContact CE2-CG2 4.2Å; F338-V342 HydrophobicContact CZ-CG2 3.69Å; F338-V342 WeakPolarHBondContact O-CG2 2.96Å; F338-V342 PolarHBondContact O-N 2.93Å; A339-V342 PolarHBondContact O-N 3.29Å; V342-T344 VanDerWaalsContact C-N 3.31Å; V342-T344 PolarHBondContact O-N 3Å; V342-S345 PolarHBondContact O-N 2.81Å; V342-V346 HydrophobicContact CG1-CG2 4.16Å; V342-V346 WeakPolarHBondContact O-CB 3.36Å; V342-V346 VanDerWaalsContact O-CG2 3.22Å; V342-V346 WeakPolarHBondContact O-CG2 3.46Å; V342-V346 PolarHBondContact O-N 3.26Å; V342-L405 HydrophobicContact CG1-CB 4.27Å; V342-D406 HydrophobicContact CG1-CB 4.32Å
343N96.4Very high95.2Very high22 Ų2263.7 Ų63.712%0.11831%0.305CS..Hα-helixtrans-52.2-52.1176.6-169.7-104.2000112A339 W340 K347 D406 T408A339-N343 WeakPolarHBondContact O-CB 3.47Å; A339-N343 PolarHBondContact O-N 2.88Å; W340-N343 WeakPolarHBondContact O-CB 3.4Å; W340-N343 PolarHBondContact O-N 3.09Å; N343-K347 WeakPolarHBondContact O-CB 3.31Å; N343-K347 VanDerWaalsContact O-CG 3.29Å; N343-K347 WeakPolarHBondContact O-CG 3.24Å; N343-K347 PolarHBondContact O-N 3.35Å; N343-K347 WeakPolarHBondContact OD1-CD 3.5Å; N343-K347 WeakPolarHBondContact OD1-CE 3.36Å; N343-K347 PolarHBondContact OD1-NZ 2.84Å; N343-D406 WeakPolarHBondContact CA-OD2 3.37Å; N343-D406 WeakPolarHBondContact CB-OD2 3.25Å; N343-D406 PolarHBondContact ND2-OD2 3.11Å; N343-T408 PolarHBondContact ND2-OG1 2.66Å
344T95.9Very high95.3Very high30 Ų3063.9 Ų63.918%0.18431%0.308CS..Hα-helixtrans-66.8-47.5-175.1-59.50000110.4W340 F341 V342 V346 K347 Y348W340-T344 HydrophobicContact CH2-CG2 4.47Å; W340-T344 HydrophobicContact CZ2-CG2 4.44Å; W340-T344 VanDerWaalsContact O-CB 3.26Å; W340-T344 WeakPolarHBondContact O-CB 3.12Å; W340-T344 PolarHBondContact O-N 3.45Å; W340-T344 PolarHBondContact O-OG1 3.02Å; F341-T344 PolarHBondContact O-N 3.33Å; V342-T344 VanDerWaalsContact C-N 3.31Å; V342-T344 PolarHBondContact O-N 3Å; T344-V346 PolarHBondContact O-N 2.75Å; T344-K347 PolarHBondContact O-N 3.34Å; T344-Y348 HydrophobicContact CG2-CD2 3.64Å; T344-Y348 HydrophobicContact CG2-CE2 3.47Å; T344-Y348 VanDerWaalsContact CG2-CE2 3.47Å; T344-Y348 WeakPolarHBondContact O-CD2 3.35Å; T344-Y348 PolarHBondContact O-N 3.44Å
345S95.4Very high95.4Very high11 Ų1162.7 Ų62.78%0.07731%0.306CS..Hα-helixtrans-64.4-40.9-179.9-60.80000112F341 V342 S349F341-S345 WeakPolarHBondContact CD2-OG 3.47Å; F341-S345 WeakPolarHBondContact CE2-OG 3.42Å; F341-S345 VanDerWaalsContact CZ-OG 3.3Å; F341-S345 WeakPolarHBondContact CZ-OG 3.43Å; F341-S345 WeakPolarHBondContact O-CB 3.49Å; F341-S345 PolarHBondContact O-N 3.15Å; F341-S345 PolarHBondContact O-OG 3.47Å; V342-S345 PolarHBondContact O-N 2.81Å; S345-S349 WeakPolarHBondContact O-CB 3.33Å; S345-S349 PolarHBondContact O-N 2.9Å; S345-S349 PolarHBondContact O-OG 2.61Å
346V96.6Very high95.5Very high0 Ų061.1 Ų61.10%030%0.299CS..Hα-helixtrans-68.3-46.1177.7174.30000110.8F173 V342 T344 Y348 S349 I350 L402 L405 I409F173-V346 HydrophobicContact CE1-CG2 3.92Å; V342-V346 HydrophobicContact CG1-CG2 4.16Å; V342-V346 WeakPolarHBondContact O-CB 3.36Å; V342-V346 VanDerWaalsContact O-CG2 3.22Å; V342-V346 WeakPolarHBondContact O-CG2 3.46Å; V342-V346 PolarHBondContact O-N 3.26Å; T344-V346 PolarHBondContact O-N 2.75Å; V346-Y348 PolarHBondContact O-N 3.09Å; V346-S349 PolarHBondContact O-N 3.05Å; V346-I350 HydrophobicContact CG1-CD1 3.86Å; V346-I350 HydrophobicContact CG1-CG1 4.41Å; V346-I350 VanDerWaalsContact O-CG1 3.29Å; V346-I350 WeakPolarHBondContact O-CG1 3.35Å; V346-I350 PolarHBondContact O-N 3.03Å; V346-L402 HydrophobicContact CG1-CG 4.13Å; V346-L405 HydrophobicContact CG2-CB 4.29Å; V346-L405 HydrophobicContact CG2-CD1 4.21Å; V346-I409 HydrophobicContact CB-CD1 3.51Å; V346-I409 HydrophobicContact CG1-CD1 3.3Å
347K95.9Very high95.6Very high103 Ų10352.6 Ų52.645%0.44826%0.262SS..Hα-helixtrans-54.7-51.5175.6-78.2173.6177.2169.90111.6N343 T344 I350 S351 I409N343-K347 WeakPolarHBondContact O-CB 3.31Å; N343-K347 VanDerWaalsContact O-CG 3.29Å; N343-K347 WeakPolarHBondContact O-CG 3.24Å; N343-K347 PolarHBondContact O-N 3.35Å; N343-K347 WeakPolarHBondContact OD1-CD 3.5Å; N343-K347 WeakPolarHBondContact OD1-CE 3.36Å; N343-K347 PolarHBondContact OD1-NZ 2.84Å; T344-K347 PolarHBondContact O-N 3.34Å; K347-I350 PolarHBondContact O-N 3.32Å; K347-S351 PolarHBondContact O-N 3.38Å; K347-S351 PolarHBondContact O-OG 3.24Å; K347-I409 HydrophobicContact CG-CD1 4.05Å; K347-I409 HydrophobicContact CG-CG1 4.26Å
348Y95.6Very high95.7Very high144 Ų14450.4 Ų50.457%0.56526%0.258SS*.Hα-helixtrans-67.3-37.8178.6-74.7-59.1000112.6T344 V346 I350 S351 F352T344-Y348 HydrophobicContact CG2-CD2 3.64Å; T344-Y348 HydrophobicContact CG2-CE2 3.47Å; T344-Y348 VanDerWaalsContact CG2-CE2 3.47Å; T344-Y348 WeakPolarHBondContact O-CD2 3.35Å; T344-Y348 PolarHBondContact O-N 3.44Å; V346-Y348 PolarHBondContact O-N 3.09Å; Y348-I350 VanDerWaalsContact C-N 3.3Å; Y348-I350 PolarHBondContact O-N 3.11Å; Y348-S351 PolarHBondContact O-N 3.34Å; Y348-F352 HydrophobicContact CD1-CE2 4.23Å; Y348-F352 HydrophobicContact CG-CE2 4.39Å; Y348-F352 WeakPolarHBondContact O-CB 3.23Å; Y348-F352 WeakPolarHBondContact O-CD2 3.22Å; Y348-F352 WeakPolarHBondContact O-CG 3.3Å; Y348-F352 PolarHBondContact O-N 2.84Å
349S96Very high95.8Very high10 Ų1053.9 Ų53.97%0.0728%0.28CS..Hα-helixtrans-63.5-35.5177.2-62.90000112.3F169 S345 V346 G353F169-S349 WeakPolarHBondContact CZ-OG 3.33Å; S345-S349 WeakPolarHBondContact O-CB 3.33Å; S345-S349 PolarHBondContact O-N 2.9Å; S345-S349 PolarHBondContact O-OG 2.61Å; V346-S349 PolarHBondContact O-N 3.05Å; S349-G353 WeakPolarHBondContact O-CA 3.15Å; S349-G353 PolarHBondContact O-N 3.29Å
350I95.7Very high95.8Very high22 Ų2253.5 Ų53.511%0.11327%0.269CS..Hα-helixtrans-63.4-52.8173-69.1164.1000110V346 K347 Y348 G353 V354 L399 L402 A403 I409 L411V346-I350 HydrophobicContact CG1-CD1 3.86Å; V346-I350 HydrophobicContact CG1-CG1 4.41Å; V346-I350 VanDerWaalsContact O-CG1 3.29Å; V346-I350 WeakPolarHBondContact O-CG1 3.35Å; V346-I350 PolarHBondContact O-N 3.03Å; K347-I350 PolarHBondContact O-N 3.32Å; Y348-I350 VanDerWaalsContact C-N 3.3Å; Y348-I350 PolarHBondContact O-N 3.11Å; I350-G353 PolarHBondContact O-N 2.82Å; I350-V354 WeakPolarHBondContact O-CG2 3.29Å; I350-V354 PolarHBondContact O-N 3.09Å; I350-L399 HydrophobicContact CB-CD2 4.49Å; I350-L399 HydrophobicContact CG1-CD2 4.19Å; I350-L399 HydrophobicContact CG2-CD1 3.98Å; I350-L399 HydrophobicContact CG2-CD2 4.2Å; I350-L402 HydrophobicContact CG1-CD2 4.17Å; I350-A403 HydrophobicContact CD1-CB 4.45Å; I350-I409 HydrophobicContact CD1-CG2 4.07Å; I350-L411 HydrophobicContact CD1-CD2 4.25Å
351S95Very high95.8Very high77 Ų7746.6 Ų46.654%0.53825%0.246SC..Hα-helixtrans-61.8-47.7-179.3-59.80000112.5K347 Y348 G353 V354 A355K347-S351 PolarHBondContact O-N 3.38Å; K347-S351 PolarHBondContact O-OG 3.24Å; Y348-S351 PolarHBondContact O-N 3.34Å; S351-G353 VanDerWaalsContact C-N 3.35Å; S351-V354 PolarHBondContact O-N 3.36Å; S351-A355 WeakPolarHBondContact O-CB 3.29Å; S351-A355 PolarHBondContact O-N 3.03Å
352F95Very high95.9Very high111 Ų11148.8 Ų48.849%0.48726%0.26SS..Hα-helixtrans-66.6-36176.8-74.2-55.2000112.3Y348 A355 F356Y348-F352 HydrophobicContact CD1-CE2 4.23Å; Y348-F352 HydrophobicContact CG-CE2 4.39Å; Y348-F352 WeakPolarHBondContact O-CB 3.23Å; Y348-F352 WeakPolarHBondContact O-CD2 3.22Å; Y348-F352 WeakPolarHBondContact O-CG 3.3Å; Y348-F352 PolarHBondContact O-N 2.84Å; F352-A355 PolarHBondContact O-N 3.17Å; F352-F356 HydrophobicContact CB-CD2 4.16Å; F352-F356 HydrophobicContact CB-CE2 4Å; F352-F356 HydrophobicContact CD1-CE2 4.23Å; F352-F356 HydrophobicContact CD1-CZ 4.25Å; F352-F356 HydrophobicContact CG-CE2 4.36Å; F352-F356 VanDerWaalsContact O-CB 3.32Å; F352-F356 WeakPolarHBondContact O-CB 3.41Å; F352-F356 VanDerWaalsContact O-CD2 3.25Å; F352-F356 WeakPolarHBondContact O-CD2 3.28Å; F352-F356 WeakPolarHBondContact O-CG 3.46Å; F352-F356 PolarHBondContact O-N 3.12Å
353G95.1Very high95.8Very high1 Ų152.5 Ų52.51%0.0128%0.277CS..Hα-helixtrans-57.7-51.1174.500000111.4W162 S349 I350 S351 F357W162-G353 WeakPolarHBondContact CH2-O 3.43Å; W162-G353 WeakPolarHBondContact CZ2-O 3.35Å; S349-G353 WeakPolarHBondContact O-CA 3.15Å; S349-G353 PolarHBondContact O-N 3.29Å; I350-G353 PolarHBondContact O-N 2.82Å; S351-G353 VanDerWaalsContact C-N 3.35Å; G353-F357 VanDerWaalsContact O-CB 3.32Å; G353-F357 WeakPolarHBondContact O-CB 3.22Å; G353-F357 PolarHBondContact O-N 3.17Å
354V96.3Very high95.7Very high39 Ų3951.4 Ų51.424%0.23627%0.271CS..Hα-helixtrans-64.4-46.6177.11780000111.5I350 S351 F357 C358 L395 M396 L399I350-V354 WeakPolarHBondContact O-CG2 3.29Å; I350-V354 PolarHBondContact O-N 3.09Å; S351-V354 PolarHBondContact O-N 3.36Å; V354-F357 PolarHBondContact O-N 3.48Å; V354-C358 PolarHBondContact O-N 3.35Å; V354-C358 PolarHBondContact O-SG 3.49Å; V354-C358 VanDerWaalsContact O-SG 3.33Å; V354-L395 HydrophobicContact CG2-CD2 4.34Å; V354-M396 HydrophobicContact CG1-CE 4.23Å; V354-M396 HydrophobicContact CG2-CE 3.75Å; V354-L399 HydrophobicContact CG2-CD1 4.4Å
355A96.4Very high95.6Very high49 Ų4952.6 Ų52.641%0.40528%0.276SS..Hα-helixtrans-61.7-47.8-17900000112.5S351 F352 F357 C358 V359S351-A355 WeakPolarHBondContact O-CB 3.29Å; S351-A355 PolarHBondContact O-N 3.03Å; F352-A355 PolarHBondContact O-N 3.17Å; A355-F357 VanDerWaalsContact C-N 3.34Å; A355-F357 PolarHBondContact O-N 2.96Å; A355-C358 WeakPolarHBondContact O-CB 3.48Å; A355-C358 PolarHBondContact O-N 3.36Å; A355-V359 WeakPolarHBondContact O-CG2 3.46Å; A355-V359 PolarHBondContact O-N 3.3Å
356F95.8Very high95.5Very high79 Ų7956.4 Ų56.435%0.34630%0.295SS..Hα-helixtrans-68.6-32.7179-68.9-38.1000112.7W162 F237 F352 V359 E360W162-F356 HydrophobicContact CZ2-CB 4.35Å; F237-F356 HydrophobicContact CB-CD2 3.78Å; F237-F356 HydrophobicContact CB-CE2 3.73Å; F237-F356 HydrophobicContact CD1-CD2 4.41Å; F237-F356 HydrophobicContact CG-CD2 4.2Å; F237-F356 HydrophobicContact CG-CE2 4.5Å; F352-F356 HydrophobicContact CB-CD2 4.16Å; F352-F356 HydrophobicContact CB-CE2 4Å; F352-F356 HydrophobicContact CD1-CE2 4.23Å; F352-F356 HydrophobicContact CD1-CZ 4.25Å; F352-F356 HydrophobicContact CG-CE2 4.36Å; F352-F356 VanDerWaalsContact O-CB 3.32Å; F352-F356 WeakPolarHBondContact O-CB 3.41Å; F352-F356 VanDerWaalsContact O-CD2 3.25Å; F352-F356 WeakPolarHBondContact O-CD2 3.28Å; F352-F356 WeakPolarHBondContact O-CG 3.46Å; F352-F356 PolarHBondContact O-N 3.12Å; F356-V359 PolarHBondContact O-N 3.22Å; F356-E360 WeakPolarHBondContact O-CG 3.44Å; F356-E360 PolarHBondContact O-N 2.85Å
357F97.1Very high95.2Very high5 Ų559.2 Ų59.22%0.02231%0.309CS..Hα-helixtrans-60.4-47.7170.8-177-96.9000111.5I159 W162 L163 G353 V354 A355 V359 E360 V361 G388 G391 F392 L395I159-F357 HydrophobicContact CG2-CE2 3.66Å; I159-F357 HydrophobicContact CG2-CZ 3.96Å; W162-F357 HydrophobicContact CD2-CD2 4.22Å; W162-F357 HydrophobicContact CE3-CB 4.35Å; W162-F357 AromaticContact CE3-CD2 3.52Å; W162-F357 HydrophobicContact CE3-CD2 3.52Å; W162-F357 HydrophobicContact CE3-CE2 4.34Å; W162-F357 HydrophobicContact CE3-CG 4.42Å; W162-F357 HydrophobicContact CH2-CB 3.73Å; W162-F357 HydrophobicContact CH2-CD2 4.19Å; W162-F357 HydrophobicContact CH2-CG 4.4Å; W162-F357 HydrophobicContact CZ2-CB 3.95Å; W162-F357 HydrophobicContact CZ3-CB 3.93Å; W162-F357 AromaticContact CZ3-CD2 3.49Å; W162-F357 HydrophobicContact CZ3-CD2 3.49Å; W162-F357 VanDerWaalsContact CZ3-CD2 3.49Å; W162-F357 HydrophobicContact CZ3-CE2 4.43Å; W162-F357 HydrophobicContact CZ3-CG 4.13Å; L163-F357 HydrophobicContact CD2-CE2 4.23Å; G353-F357 VanDerWaalsContact O-CB 3.32Å; G353-F357 WeakPolarHBondContact O-CB 3.22Å; G353-F357 PolarHBondContact O-N 3.17Å; V354-F357 PolarHBondContact O-N 3.48Å; A355-F357 VanDerWaalsContact C-N 3.34Å; A355-F357 PolarHBondContact O-N 2.96Å; F357-V359 VanDerWaalsContact C-N 3.3Å; F357-V359 PolarHBondContact O-N 3.19Å; F357-E360 PolarHBondContact O-N 3.45Å; F357-E360 VanDerWaalsContact O-N 3.15Å; F357-V361 HydrophobicContact CD1-CG2 4Å; F357-V361 HydrophobicContact CE1-CG2 3.54Å; F357-V361 HydrophobicContact CE2-CG2 4.49Å; F357-V361 HydrophobicContact CZ-CG2 3.83Å; F357-V361 WeakPolarHBondContact O-CG2 3.2Å; F357-V361 PolarHBondContact O-N 3.03Å; F357-G388 WeakPolarHBondContact CZ-O 3.44Å; F357-G391 VanDerWaalsContact CZ-C 3.44Å; F357-F392 HydrophobicContact CD1-CD2 4.12Å; F357-F392 HydrophobicContact CE1-CB 3.71Å; F357-F392 HydrophobicContact CE1-CD2 4.01Å; F357-F392 HydrophobicContact CE1-CG 4.38Å; F357-F392 HydrophobicContact CZ-CB 4.12Å; F357-L395 HydrophobicContact CB-CD2 3.55Å; F357-L395 HydrophobicContact CD1-CD2 4.15Å; F357-L395 HydrophobicContact CD2-CD2 4.19Å; F357-L395 HydrophobicContact CG-CD2 3.69Å
358C96.9Very high94.9Very high58 Ų5854.4 Ų54.439%0.39229%0.288SS..Hα-helixtrans-58.9-41176.5-68.50000112V354 A355 V361 L362V354-C358 PolarHBondContact O-N 3.35Å; V354-C358 PolarHBondContact O-SG 3.49Å; V354-C358 VanDerWaalsContact O-SG 3.33Å; A355-C358 WeakPolarHBondContact O-CB 3.48Å; A355-C358 PolarHBondContact O-N 3.36Å; C358-V361 PolarHBondContact O-N 3.24Å; C358-L362 VanDerWaalsContact O-CG 3.3Å; C358-L362 WeakPolarHBondContact O-CG 3.49Å; C358-L362 PolarHBondContact O-N 3.45Å
359V95.8Very high94.8Very high84 Ų8451.2 Ų51.251%0.50928%0.281SS..Hα-helixtrans-61.8-43.6175.2171.90000111.6A355 F356 F357 L362 H363A355-V359 WeakPolarHBondContact O-CG2 3.46Å; A355-V359 PolarHBondContact O-N 3.3Å; F356-V359 PolarHBondContact O-N 3.22Å; F357-V359 VanDerWaalsContact C-N 3.3Å; F357-V359 PolarHBondContact O-N 3.19Å; V359-L362 PolarHBondContact O-N 2.86Å; V359-H363 WeakPolarHBondContact O-CB 3.37Å; V359-H363 PolarHBondContact O-N 3.1Å
360E95Very high94.5Very high43 Ų4356.7 Ų56.720%0.20131%0.309CS..Hα-helixtrans-66.5-37.9177.1-68.2-62.6167.900112W162 F356 F357 H363 S364W162-E360 HydrophobicContact CB-CG 4.19Å; W162-E360 HydrophobicContact CG-CG 4.05Å; F356-E360 WeakPolarHBondContact O-CG 3.44Å; F356-E360 PolarHBondContact O-N 2.85Å; F357-E360 PolarHBondContact O-N 3.45Å; F357-E360 VanDerWaalsContact O-N 3.15Å; E360-H363 PolarHBondContact O-N 2.98Å; E360-H363 IonicContact OE2-ND1 2.7Å; E360-S364 WeakPolarHBondContact O-CB 3.02Å; E360-S364 PolarHBondContact O-N 3.22Å; E360-S364 PolarHBondContact O-OG 3.18Å
361V96.5Very high94Very high29 Ų2956.5 Ų56.518%0.17631%0.311CS..Hα-helixtrans-62-47.2173.1172.90000111I159 F357 C358 H363 S364 I365I159-V361 HydrophobicContact CD1-CG2 4.01Å; I159-V361 HydrophobicContact CG1-CG2 4.17Å; F357-V361 HydrophobicContact CD1-CG2 4Å; F357-V361 HydrophobicContact CE1-CG2 3.54Å; F357-V361 HydrophobicContact CE2-CG2 4.49Å; F357-V361 HydrophobicContact CZ-CG2 3.83Å; F357-V361 WeakPolarHBondContact O-CG2 3.2Å; F357-V361 PolarHBondContact O-N 3.03Å; C358-V361 PolarHBondContact O-N 3.24Å; V361-H363 VanDerWaalsContact C-N 3.32Å; V361-H363 PolarHBondContact O-N 3.43Å; V361-S364 WeakPolarHBondContact O-CB 3.19Å; V361-S364 PolarHBondContact O-N 3.45Å; V361-I365 HydrophobicContact CG1-CD1 4.08Å; V361-I365 WeakPolarHBondContact O-CG1 3.4Å; V361-I365 PolarHBondContact O-N 3.48Å
362L96.2Very high93.4Very high105 Ų10564.9 Ų64.955%0.5533%0.331SS..Hα-helixtrans-60.3-42.9176.5-71.9171.8000111.6C358 V359 S364 I365 I366C358-L362 VanDerWaalsContact O-CG 3.3Å; C358-L362 WeakPolarHBondContact O-CG 3.49Å; C358-L362 PolarHBondContact O-N 3.45Å; V359-L362 PolarHBondContact O-N 2.86Å; L362-S364 VanDerWaalsContact C-N 3.32Å; L362-S364 PolarHBondContact O-N 2.89Å; L362-I365 WeakPolarHBondContact O-CB 3.31Å; L362-I365 PolarHBondContact O-N 3.46Å; L362-I366 WeakPolarHBondContact O-CG1 3.4Å; L362-I366 PolarHBondContact O-N 3.16Å
363H93.5Very high93Very high80 Ų8066.5 Ų66.537%0.3734%0.339SS..Hα-helixtrans-62.7-40.7176.4-168.9-179.3000112K158 V359 E360 V361 I366 I367K158-H363 PolarHBondContact NZ-CE1 3.37Å; K158-H363 PolarHBondContact NZ-ND1 3.19Å; K158-H363 VanDerWaalsContact NZ-ND1 3.11Å; K158-H363 PolarHBondContact NZ-NE2 2.96Å; V359-H363 WeakPolarHBondContact O-CB 3.37Å; V359-H363 PolarHBondContact O-N 3.1Å; E360-H363 PolarHBondContact O-N 2.98Å; E360-H363 IonicContact OE2-ND1 2.7Å; V361-H363 VanDerWaalsContact C-N 3.32Å; V361-H363 PolarHBondContact O-N 3.43Å; H363-I366 PolarHBondContact O-N 3.06Å; H363-I367 WeakPolarHBondContact O-CG1 3.42Å; H363-I367 PolarHBondContact O-N 3.31Å
364S93.5Very high92.7Very high0 Ų073.1 Ų73.10%037%0.368CS..Hα-helixtrans-61.6-42172.5-75.10000112A155 E360 V361 L362 I367 A368A155-S364 WeakPolarHBondContact O-CB 3.47Å; A155-S364 PolarHBondContact O-OG 3.1Å; E360-S364 WeakPolarHBondContact O-CB 3.02Å; E360-S364 PolarHBondContact O-N 3.22Å; E360-S364 PolarHBondContact O-OG 3.18Å; V361-S364 WeakPolarHBondContact O-CB 3.19Å; V361-S364 PolarHBondContact O-N 3.45Å; L362-S364 VanDerWaalsContact C-N 3.32Å; L362-S364 PolarHBondContact O-N 2.89Å; S364-I367 PolarHBondContact O-N 3Å; S364-A368 WeakPolarHBondContact O-CB 3.39Å; S364-A368 PolarHBondContact O-N 3.33Å
365I95Very high92.3Very high54 Ų5480.7 Ų80.728%0.27739%0.393SS..Hα-helixtrans-61.3-46.2175.3-68.2167.1000110.8V361 L362 I367 A368 L369 L381 V384V361-I365 HydrophobicContact CG1-CD1 4.08Å; V361-I365 WeakPolarHBondContact O-CG1 3.4Å; V361-I365 PolarHBondContact O-N 3.48Å; L362-I365 WeakPolarHBondContact O-CB 3.31Å; L362-I365 PolarHBondContact O-N 3.46Å; I365-I367 VanDerWaalsContact C-N 3.31Å; I365-I367 PolarHBondContact O-N 3.26Å; I365-A368 WeakPolarHBondContact O-CB 3.25Å; I365-A368 PolarHBondContact O-N 3.03Å; I365-A368 VanDerWaalsContact O-N 3.16Å; I365-L369 HydrophobicContact CG2-CD1 3.9Å; I365-L369 HydrophobicContact CG2-CG 4.3Å; I365-L369 WeakPolarHBondContact O-CG 3.44Å; I365-L369 PolarHBondContact O-N 3.08Å; I365-L381 HydrophobicContact CG2-CD2 4.18Å; I365-V384 HydrophobicContact CG1-CG1 3.76Å
366I93.8Very high91.9Very high92 Ų9281.2 Ų81.247%0.47238%0.384SS..Hα-helixtrans-60-42.3178.2-66.1163.6000110.9L362 H363 L369 N370L362-I366 WeakPolarHBondContact O-CG1 3.4Å; L362-I366 PolarHBondContact O-N 3.16Å; H363-I366 PolarHBondContact O-N 3.06Å; I366-L369 PolarHBondContact O-N 3Å; I366-N370 PolarHBondContact O-N 3.21Å; I366-N370 VanDerWaalsContact O-N 3.09Å; I366-N370 PolarHBondContact O-ND2 3.13Å
367I90.4Very high91.6Very high59 Ų5980.9 Ų80.930%0.30338%0.383SS..Hα-helixtrans-63.9-42.7176.4-70.3168.6000111.3A155 K158 H363 S364 I365 N370A155-I367 HydrophobicContact CB-CB 4.29Å; A155-I367 HydrophobicContact CB-CG2 3.94Å; K158-I367 HydrophobicContact CD-CD1 3.99Å; H363-I367 WeakPolarHBondContact O-CG1 3.42Å; H363-I367 PolarHBondContact O-N 3.31Å; S364-I367 PolarHBondContact O-N 3Å; I365-I367 VanDerWaalsContact C-N 3.31Å; I365-I367 PolarHBondContact O-N 3.26Å; I367-N370 PolarHBondContact O-N 2.61Å
368A89.7Confident91.3Very high1 Ų184 Ų841%0.00840%0.399CS..Hα-helixtrans-61.1-44.3176.100000111.5A155 S364 I365 N370 A371 K377 E380 L381 V384A155-A368 HydrophobicContact CB-CB 3.87Å; S364-A368 WeakPolarHBondContact O-CB 3.39Å; S364-A368 PolarHBondContact O-N 3.33Å; I365-A368 WeakPolarHBondContact O-CB 3.25Å; I365-A368 PolarHBondContact O-N 3.03Å; I365-A368 VanDerWaalsContact O-N 3.16Å; A368-N370 VanDerWaalsContact C-N 3.26Å; A368-N370 PolarHBondContact O-N 2.95Å; A368-A371 WeakPolarHBondContact O-CB 2.99Å; A368-A371 PolarHBondContact O-N 2.86Å; A368-A371 VanDerWaalsContact O-N 3.1Å; A368-K377 WeakPolarHBondContact O-CG 3.42Å; A368-E380 HydrophobicContact CB-CB 3.65Å; A368-L381 HydrophobicContact CB-CD2 3.76Å; A368-L381 HydrophobicContact CB-CG 3.94Å; A368-V384 HydrophobicContact CB-CG2 4.33Å
369L92.4Very high90.9Very high78 Ų7884.1 Ų84.141%0.40839%0.392SS..Hα-helixtrans-64-28178.1-71.9172.3000113.7I365 I366 A371 K377 L381I365-L369 HydrophobicContact CG2-CD1 3.9Å; I365-L369 HydrophobicContact CG2-CG 4.3Å; I365-L369 WeakPolarHBondContact O-CG 3.44Å; I365-L369 PolarHBondContact O-N 3.08Å; I366-L369 PolarHBondContact O-N 3Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 3.18Å; L369-K377 HydrophobicContact CD2-CD 4.39Å; L369-K377 WeakPolarHBondContact O-CE 3.13Å; L369-K377 PolarHBondContact O-NZ 3.08Å; L369-L381 HydrophobicContact CD2-CD1 3.92Å; L369-L381 HydrophobicContact CD2-CD2 4.13Å; L369-L381 HydrophobicContact CG-CD2 4.17Å
370N90.1Very high90.6Very high124 Ų12480.5 Ų80.566%0.66337%0.37SS*.THydrogen-bonded Turntrans-81.30.9176.4-73.9-25.9000113.8I366 I367 A368 R372I366-N370 PolarHBondContact O-N 3.21Å; I366-N370 VanDerWaalsContact O-N 3.09Å; I366-N370 PolarHBondContact O-ND2 3.13Å; I367-N370 PolarHBondContact O-N 2.61Å; A368-N370 VanDerWaalsContact C-N 3.26Å; A368-N370 PolarHBondContact O-N 2.95Å; N370-R372 PolarHBondContact O-N 3.18Å
371A85.8Confident90.5Very high18 Ų1880.3 Ų80.315%0.14937%0.37CS..  trans-63.7131.6172.700000111.1A368 L369 R376 K377A368-A371 WeakPolarHBondContact O-CB 2.99Å; A368-A371 PolarHBondContact O-N 2.86Å; A368-A371 VanDerWaalsContact O-N 3.1Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 3.18Å; A371-R376 HydrophobicContact CB-CB 4.47Å; A371-R376 HydrophobicContact CB-CG 4.03Å; A371-K377 HydrophobicContact CB-CB 4.03Å; A371-K377 VanDerWaalsContact O-CE 3.28Å; A371-K377 WeakPolarHBondContact O-CE 3.42Å
372R81.2Confident90.3Very high254 Ų25483.4 Ų83.496%0.95838%0.384SS*.SBendtrans-64.2-44.8-171.6-69.4-175.7177-177.4-2.9114.2N370N370-R372 PolarHBondContact O-N 3.18Å
373Q85.9Confident90Very high144 Ų14479 Ų7967%0.67336%0.364SS*.SBendtrans-91.7139.1-177-69.1176.9-22.800110.3W375 R376 K377Q373-W375 PolarHBondContact O-N 2.96Å; Q373-R376 HydrophobicContact CB-CB 4.01Å; Q373-R376 PolarHBondContact O-N 2.65Å; Q373-R376 VanDerWaalsContact O-N 3.15Å; Q373-K377 PolarHBondContact O-N 3.45Å
374F89.7Confident90Very high140 Ų14075.2 Ų75.261%0.61435%0.346SS*.Hα-helixtrans-54.3-51.3179.8176.2-98.9000112.6R376 K377 L378F374-R376 VanDerWaalsContact C-N 3.3Å; F374-R376 PolarHBondContact O-N 2.75Å; F374-K377 WeakPolarHBondContact O-CB 3.5Å; F374-K377 PolarHBondContact O-N 3.42Å; F374-K377 VanDerWaalsContact O-N 3.12Å; F374-L378 PolarHBondContact O-N 2.89Å
375W88.4Confident90Very high198 Ų19880.6 Ų80.675%0.7537%0.374SS*.Hα-helixtrans-62.6-36.2178.9-65.7115.7000113.1Q373 L378 Y379Q373-W375 PolarHBondContact O-N 2.96Å; W375-L378 HydrophobicContact CE3-CD2 4.22Å; W375-L378 HydrophobicContact CZ3-CD2 4.13Å; W375-Y379 VanDerWaalsContact O-CB 3.31Å; W375-Y379 WeakPolarHBondContact O-CB 3.33Å; W375-Y379 PolarHBondContact O-N 3.42Å
376R87.3Confident90Very high60 Ų6082 Ų8223%0.22639%0.385CS..Hα-helixtrans-66.9-41.7174.4-178.657.8179.1-115.37.8111.3P151 R152 A371 Q373 F374 Y379 E380P151-R376 VanDerWaalsContact CB-NH1 3.28Å; R152-R376 PolarHBondContact O-NH2 3.11Å; A371-R376 HydrophobicContact CB-CB 4.47Å; A371-R376 HydrophobicContact CB-CG 4.03Å; Q373-R376 HydrophobicContact CB-CB 4.01Å; Q373-R376 PolarHBondContact O-N 2.65Å; Q373-R376 VanDerWaalsContact O-N 3.15Å; F374-R376 VanDerWaalsContact C-N 3.3Å; F374-R376 PolarHBondContact O-N 2.75Å; R376-Y379 PolarHBondContact O-N 2.94Å; R376-E380 HydrophobicContact CG-CG 4.31Å; R376-E380 IonicContact CZ-OE1 3.98Å; R376-E380 IonicContact NE-OE1 3.14Å; R376-E380 PolarHBondContact NE-OE1 3.44Å; R376-E380 IonicContact NH2-OE1 2.92Å; R376-E380 PolarHBondContact NH2-OE1 3.3Å; R376-E380 WeakPolarHBondContact O-CB 3.49Å; R376-E380 WeakPolarHBondContact O-CG 3.46Å; R376-E380 PolarHBondContact O-N 3.09Å
377K89.4Confident90Very high72 Ų7278.8 Ų78.831%0.31337%0.369SS..Hα-helixtrans-59-49.9175.6-176.9179.9-52.8-154.40111.2A368 L369 A371 Q373 F374 Y379 E380 L381A368-K377 WeakPolarHBondContact O-CG 3.42Å; L369-K377 HydrophobicContact CD2-CD 4.39Å; L369-K377 WeakPolarHBondContact O-CE 3.13Å; L369-K377 PolarHBondContact O-NZ 3.08Å; A371-K377 HydrophobicContact CB-CB 4.03Å; A371-K377 VanDerWaalsContact O-CE 3.28Å; A371-K377 WeakPolarHBondContact O-CE 3.42Å; Q373-K377 PolarHBondContact O-N 3.45Å; F374-K377 WeakPolarHBondContact O-CB 3.5Å; F374-K377 PolarHBondContact O-N 3.42Å; F374-K377 VanDerWaalsContact O-N 3.12Å; K377-Y379 PolarHBondContact O-N 3.02Å; K377-E380 PolarHBondContact O-N 3.08Å; K377-L381 HydrophobicContact CG-CD1 4.15Å; K377-L381 WeakPolarHBondContact O-CB 3.28Å; K377-L381 WeakPolarHBondContact O-CG 3.41Å; K377-L381 PolarHBondContact O-N 3.14Å
378L90.9Very high90.3Very high71 Ų7176.4 Ų76.437%0.37236%0.358SS..Hα-helixtrans-60.4-46177.9-176.761.5000111.6F374 W375 L381 I382F374-L378 PolarHBondContact O-N 2.89Å; W375-L378 HydrophobicContact CE3-CD2 4.22Å; W375-L378 HydrophobicContact CZ3-CD2 4.13Å; L378-L381 PolarHBondContact O-N 2.88Å; L378-I382 HydrophobicContact CD1-CD1 4.12Å; L378-I382 HydrophobicContact CD1-CG1 4.42Å; L378-I382 HydrophobicContact CG-CD1 3.97Å; L378-I382 VanDerWaalsContact O-CG1 3.32Å; L378-I382 WeakPolarHBondContact O-CG1 3.05Å; L378-I382 PolarHBondContact O-N 3.14Å
379Y88.7Confident90.6Very high60 Ų6083.1 Ų83.124%0.23539%0.387CS..Hα-helixtrans-60.7-45.7177.5178.5-98.3000112.8L150 P151 V153 W375 R376 K377 I382 G383L150-Y379 HydrophobicContact CB-CE2 4.4Å; L150-Y379 HydrophobicContact CD1-CE2 4.47Å; L150-Y379 HydrophobicContact CD2-CE2 4.14Å; P151-Y379 HydrophobicContact CG-CD1 4.21Å; P151-Y379 HydrophobicContact CG-CE1 4.16Å; P151-Y379 WeakPolarHBondContact O-CE1 3.29Å; P151-Y379 VanDerWaalsContact O-CZ 3.24Å; P151-Y379 PolarHBondContact O-OH 3.44Å; V153-Y379 HydrophobicContact CB-CE1 4.3Å; V153-Y379 HydrophobicContact CG2-CD1 3.98Å; V153-Y379 HydrophobicContact CG2-CE1 3.25Å; W375-Y379 VanDerWaalsContact O-CB 3.31Å; W375-Y379 WeakPolarHBondContact O-CB 3.33Å; W375-Y379 PolarHBondContact O-N 3.42Å; R376-Y379 PolarHBondContact O-N 2.94Å; K377-Y379 PolarHBondContact O-N 3.02Å; Y379-I382 PolarHBondContact O-N 3.46Å; Y379-G383 PolarHBondContact O-N 2.97Å
380E89.4Confident90.8Very high9 Ų981.4 Ų81.44%0.04238%0.38CS..Hα-helixtrans-63.7-41.6176.7-68.4-77.7174.600111.5V153 V154 A155 A368 R376 K377 G383 V384V153-E380 WeakPolarHBondContact CA-OE2 3.38Å; V153-E380 WeakPolarHBondContact CG1-OE2 3.19Å; V154-E380 PolarHBondContact N-OE1 3.06Å; V154-E380 PolarHBondContact N-OE2 3.06Å; A155-E380 HydrophobicContact CB-CB 4.32Å; A155-E380 VanDerWaalsContact CB-OE2 3.28Å; A155-E380 WeakPolarHBondContact CB-OE2 3.3Å; A155-E380 PolarHBondContact N-OE2 3.44Å; A368-E380 HydrophobicContact CB-CB 3.65Å; R376-E380 HydrophobicContact CG-CG 4.31Å; R376-E380 IonicContact CZ-OE1 3.98Å; R376-E380 IonicContact NE-OE1 3.14Å; R376-E380 PolarHBondContact NE-OE1 3.44Å; R376-E380 IonicContact NH2-OE1 2.92Å; R376-E380 PolarHBondContact NH2-OE1 3.3Å; R376-E380 WeakPolarHBondContact O-CB 3.49Å; R376-E380 WeakPolarHBondContact O-CG 3.46Å; R376-E380 PolarHBondContact O-N 3.09Å; K377-E380 PolarHBondContact O-N 3.08Å; E380-G383 PolarHBondContact O-N 3.12Å; E380-V384 VanDerWaalsContact O-CG2 3.28Å; E380-V384 WeakPolarHBondContact O-CG2 3.29Å; E380-V384 PolarHBondContact O-N 3.38Å
381L92.5Very high91.1Very high39 Ų3975.5 Ų75.520%0.20435%0.349CS..Hα-helixtrans-62.4-47.6177.5-77.7171.1000112.1I365 A368 L369 K377 L378 G383 V384 I385I365-L381 HydrophobicContact CG2-CD2 4.18Å; A368-L381 HydrophobicContact CB-CD2 3.76Å; A368-L381 HydrophobicContact CB-CG 3.94Å; L369-L381 HydrophobicContact CD2-CD1 3.92Å; L369-L381 HydrophobicContact CD2-CD2 4.13Å; L369-L381 HydrophobicContact CG-CD2 4.17Å; K377-L381 HydrophobicContact CG-CD1 4.15Å; K377-L381 WeakPolarHBondContact O-CB 3.28Å; K377-L381 WeakPolarHBondContact O-CG 3.41Å; K377-L381 PolarHBondContact O-N 3.14Å; L378-L381 PolarHBondContact O-N 2.88Å; L381-G383 VanDerWaalsContact C-N 3.3Å; L381-G383 PolarHBondContact O-N 3.46Å; L381-V384 PolarHBondContact O-N 2.94Å; L381-I385 VanDerWaalsContact O-CG1 3.3Å; L381-I385 WeakPolarHBondContact O-CG1 3.39Å; L381-I385 PolarHBondContact O-N 3.19Å
382I91.9Very high91.7Very high93 Ų9378.7 Ų78.748%0.47736%0.36SS..Hα-helixtrans-59-45.9176.4-68.2167.1000109.9L378 Y379 V384 I385 V386L378-I382 HydrophobicContact CD1-CD1 4.12Å; L378-I382 HydrophobicContact CD1-CG1 4.42Å; L378-I382 HydrophobicContact CG-CD1 3.97Å; L378-I382 VanDerWaalsContact O-CG1 3.32Å; L378-I382 WeakPolarHBondContact O-CG1 3.05Å; L378-I382 PolarHBondContact O-N 3.14Å; Y379-I382 PolarHBondContact O-N 3.46Å; I382-V384 VanDerWaalsContact C-N 3.34Å; I382-V384 PolarHBondContact O-N 3.39Å; I382-I385 PolarHBondContact O-N 3.43Å; I382-V386 HydrophobicContact CG2-CG2 4.41Å; I382-V386 WeakPolarHBondContact O-CG2 3.46Å; I382-V386 PolarHBondContact O-N 3.5Å
383G90.6Very high92.5Very high12 Ų1268.3 Ų68.312%0.12432%0.324CS..Hα-helixtrans-59.4-42.4177.400000113.2Y379 E380 L381 I387Y379-G383 PolarHBondContact O-N 2.97Å; E380-G383 PolarHBondContact O-N 3.12Å; L381-G383 VanDerWaalsContact C-N 3.3Å; L381-G383 PolarHBondContact O-N 3.46Å; G383-I387 WeakPolarHBondContact O-CB 3.5Å; G383-I387 WeakPolarHBondContact O-CG1 3.25Å; G383-I387 PolarHBondContact O-N 3.18Å
384V93.3Very high93Very high1 Ų161.7 Ų61.71%0.00629%0.294CS..Hα-helixtrans-65.3-40.5175.9170.50000111.8A155 I159 I365 A368 E380 L381 I382 G388A155-V384 HydrophobicContact CB-CG2 3.51Å; I159-V384 HydrophobicContact CD1-CG1 4.21Å; I365-V384 HydrophobicContact CG1-CG1 3.76Å; A368-V384 HydrophobicContact CB-CG2 4.33Å; E380-V384 VanDerWaalsContact O-CG2 3.28Å; E380-V384 WeakPolarHBondContact O-CG2 3.29Å; E380-V384 PolarHBondContact O-N 3.38Å; L381-V384 PolarHBondContact O-N 2.94Å; I382-V384 VanDerWaalsContact C-N 3.34Å; I382-V384 PolarHBondContact O-N 3.39Å; V384-G388 VanDerWaalsContact O-CA 3.31Å; V384-G388 WeakPolarHBondContact O-CA 3.31Å; V384-G388 PolarHBondContact O-N 3.33Å
385I94.7Very high93.4Very high114 Ų11455 Ų5559%0.58526%0.264SS*.Hα-helixtrans-63.2-49.7177.4-69.5165.1000110.4L381 I382 G388 F389L381-I385 VanDerWaalsContact O-CG1 3.3Å; L381-I385 WeakPolarHBondContact O-CG1 3.39Å; L381-I385 PolarHBondContact O-N 3.19Å; I382-I385 PolarHBondContact O-N 3.43Å; I385-G388 PolarHBondContact O-N 2.96Å; I385-F389 WeakPolarHBondContact O-CB 3.36Å; I385-F389 PolarHBondContact O-N 2.98Å
386V93.9Very high93.8Very high84 Ų8447 Ų4751%0.50924%0.236SC..Hα-helixtrans-63.6-51.2-178.9173.40000111.1I382 G388 F389 V390I382-V386 HydrophobicContact CG2-CG2 4.41Å; I382-V386 WeakPolarHBondContact O-CG2 3.46Å; I382-V386 PolarHBondContact O-N 3.5Å; V386-G388 VanDerWaalsContact C-N 3.32Å; V386-G388 PolarHBondContact O-N 3.25Å; V386-F389 PolarHBondContact O-N 3.15Å; V386-V390 WeakPolarHBondContact O-CG2 3.25Å; V386-V390 PolarHBondContact O-N 3.15Å
387I93.9Very high94.3Very high24 Ų2444.2 Ų44.212%0.12323%0.225CC..Hα-helixtrans-68.4-34-179.4-68.5167000111.1L140 S156 I159 G383 G391L140-I387 HydrophobicContact CB-CG2 4.42Å; S156-I387 VanDerWaalsContact CB-CD1 3.44Å; S156-I387 WeakPolarHBondContact OG-CD1 3.26Å; I159-I387 HydrophobicContact CB-CG2 4.17Å; I159-I387 HydrophobicContact CD1-CG2 4.49Å; I159-I387 HydrophobicContact CG2-CG2 4.03Å; G383-I387 WeakPolarHBondContact O-CB 3.5Å; G383-I387 WeakPolarHBondContact O-CG1 3.25Å; G383-I387 PolarHBondContact O-N 3.18Å; I387-G391 WeakPolarHBondContact O-CA 3.23Å; I387-G391 PolarHBondContact O-N 3.25Å
388G96.2Very high94.7Very high8 Ų840.8 Ų40.88%0.08221%0.21CC..Hα-helixtrans-62.5-44.6173.400000112.3F357 V384 I385 V386 G391 F392F357-G388 WeakPolarHBondContact CZ-O 3.44Å; V384-G388 VanDerWaalsContact O-CA 3.31Å; V384-G388 WeakPolarHBondContact O-CA 3.31Å; V384-G388 PolarHBondContact O-N 3.33Å; I385-G388 PolarHBondContact O-N 2.96Å; V386-G388 VanDerWaalsContact C-N 3.32Å; V386-G388 PolarHBondContact O-N 3.25Å; G388-G391 PolarHBondContact O-N 3.14Å; G388-F392 VanDerWaalsContact O-CB 3.28Å; G388-F392 WeakPolarHBondContact O-CB 3.14Å; G388-F392 PolarHBondContact O-N 2.75Å
389F96.8Very high95Very high142 Ų14237.6 Ų37.662%0.62319%0.194SC*.Hα-helixtrans-64.5-47.3176.3179.6-98.4000112.3I385 V386 G391 F392 T393I385-F389 WeakPolarHBondContact O-CB 3.36Å; I385-F389 PolarHBondContact O-N 2.98Å; V386-F389 PolarHBondContact O-N 3.15Å; F389-G391 PolarHBondContact O-N 2.59Å; F389-F392 PolarHBondContact O-N 3.04Å; F389-T393 PolarHBondContact O-N 3.36Å; F389-T393 PolarHBondContact O-OG1 2.76Å
390V96.3Very high95.4Very high43 Ų4336.1 Ų36.126%0.26119%0.191SC..Hα-helixtrans-61.3-46.5176174.60000110.4F136 L140 V386 F392 T393 I394F136-V390 HydrophobicContact CE1-CG1 4.09Å; L140-V390 HydrophobicContact CD1-CG1 4.05Å; L140-V390 HydrophobicContact CD2-CG1 3.98Å; V386-V390 WeakPolarHBondContact O-CG2 3.25Å; V386-V390 PolarHBondContact O-N 3.15Å; V390-F392 VanDerWaalsContact C-N 3.34Å; V390-F392 PolarHBondContact O-N 3.02Å; V390-T393 WeakPolarHBondContact O-CB 3.42Å; V390-T393 PolarHBondContact O-N 3.04Å; V390-I394 HydrophobicContact CG1-CD1 4.08Å; V390-I394 WeakPolarHBondContact O-CG1 3.33Å; V390-I394 PolarHBondContact O-N 3.28Å
391G97.2Very high95.7Very high0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-61.2-40.2178.100000113.3F357 I387 G388 F389 T393 I394 L395F357-G391 VanDerWaalsContact CZ-C 3.44Å; I387-G391 WeakPolarHBondContact O-CA 3.23Å; I387-G391 PolarHBondContact O-N 3.25Å; G388-G391 PolarHBondContact O-N 3.14Å; F389-G391 PolarHBondContact O-N 2.59Å; G391-T393 VanDerWaalsContact C-N 3.33Å; G391-I394 PolarHBondContact O-N 3.17Å; G391-L395 WeakPolarHBondContact O-CB 3.28Å; G391-L395 PolarHBondContact O-N 2.95Å
392F97.5Very high95.9Very high85 Ų8534.1 Ų34.137%0.37318%0.181SC..Hα-helixtrans-64.5-40.7175.6-176-103.7000111.4F357 G388 F389 V390 L395 M396F357-F392 HydrophobicContact CD1-CD2 4.12Å; F357-F392 HydrophobicContact CE1-CB 3.71Å; F357-F392 HydrophobicContact CE1-CD2 4.01Å; F357-F392 HydrophobicContact CE1-CG 4.38Å; F357-F392 HydrophobicContact CZ-CB 4.12Å; G388-F392 VanDerWaalsContact O-CB 3.28Å; G388-F392 WeakPolarHBondContact O-CB 3.14Å; G388-F392 PolarHBondContact O-N 2.75Å; F389-F392 PolarHBondContact O-N 3.04Å; V390-F392 VanDerWaalsContact C-N 3.34Å; V390-F392 PolarHBondContact O-N 3.02Å; F392-L395 PolarHBondContact O-N 2.9Å; F392-M396 HydrophobicContact CD1-CG 4.1Å; F392-M396 HydrophobicContact CD2-CE 4.15Å; F392-M396 HydrophobicContact CE1-CE 4.16Å; F392-M396 HydrophobicContact CE1-CG 3.79Å; F392-M396 HydrophobicContact CE2-CE 3.28Å; F392-M396 HydrophobicContact CE2-CG 4.31Å; F392-M396 HydrophobicContact CZ-CE 3.3Å; F392-M396 HydrophobicContact CZ-CG 3.92Å; F392-M396 HydrophobicContact CZ-SD 4.26Å; F392-M396 WeakPolarHBondContact O-CB 3.39Å; F392-M396 VanDerWaalsContact O-CG 3.32Å; F392-M396 WeakPolarHBondContact O-CG 3.33Å; F392-M396 PolarHBondContact O-N 3.48Å
393T97.8Very high96.1Very high36 Ų3630 Ų3022%0.22116%0.16CC..Hα-helixtrans-63.7-43.9177.1-52.80000111.2F389 V390 G391 M396 G397 V418 L422F389-T393 PolarHBondContact O-N 3.36Å; F389-T393 PolarHBondContact O-OG1 2.76Å; V390-T393 WeakPolarHBondContact O-CB 3.42Å; V390-T393 PolarHBondContact O-N 3.04Å; G391-T393 VanDerWaalsContact C-N 3.33Å; T393-M396 PolarHBondContact O-N 3.43Å; T393-G397 PolarHBondContact O-N 3.37Å; T393-V418 HydrophobicContact CG2-CG1 3.62Å; T393-V418 WeakPolarHBondContact O-CG1 3.1Å; T393-L422 HydrophobicContact CG2-CD1 4.06Å
394I97.6Very high96.3Very high5 Ų533.1 Ų33.13%0.02618%0.181CC..Hα-helixtrans-60.3-48.9173.8-64.5166.5000110.4F136 L140 L163 V390 G391 M396 G397 S398 I427 I428F136-I394 HydrophobicContact CD1-CD1 3.83Å; F136-I394 HydrophobicContact CE1-CD1 3.76Å; F136-I394 HydrophobicContact CE1-CG1 4.34Å; L140-I394 HydrophobicContact CD1-CD1 3.94Å; L163-I394 HydrophobicContact CD1-CD1 4.24Å; L163-I394 HydrophobicContact CD2-CB 4.44Å; L163-I394 HydrophobicContact CD2-CG2 4.33Å; V390-I394 HydrophobicContact CG1-CD1 4.08Å; V390-I394 WeakPolarHBondContact O-CG1 3.33Å; V390-I394 PolarHBondContact O-N 3.28Å; G391-I394 PolarHBondContact O-N 3.17Å; I394-M396 PolarHBondContact O-N 3.46Å; I394-G397 PolarHBondContact O-N 3.06Å; I394-S398 VanDerWaalsContact O-CB 3.25Å; I394-S398 WeakPolarHBondContact O-CB 3.48Å; I394-S398 PolarHBondContact O-N 3.33Å; I394-S398 PolarHBondContact O-OG 3.06Å; I394-I427 HydrophobicContact CG1-CG2 4.08Å; I394-I428 WeakPolarHBondContact O-CD1 3.44Å
395L97.7Very high96.4Very high0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-56.2-53.6179.2174.758.4000110.3W162 W166 V354 F357 G391 F392 G397 S398 L399W162-L395 HydrophobicContact CH2-CD1 3.71Å; W162-L395 HydrophobicContact CH2-CD2 3.82Å; W162-L395 HydrophobicContact CH2-CG 4.36Å; W162-L395 HydrophobicContact CZ3-CD1 3.98Å; W162-L395 HydrophobicContact CZ3-CD2 4.06Å; W162-L395 HydrophobicContact CZ3-CG 4.45Å; W166-L395 HydrophobicContact CD2-CD1 3.97Å; W166-L395 HydrophobicContact CG-CD1 4.3Å; W166-L395 HydrophobicContact CZ2-CD1 3.96Å; V354-L395 HydrophobicContact CG2-CD2 4.34Å; F357-L395 HydrophobicContact CB-CD2 3.55Å; F357-L395 HydrophobicContact CD1-CD2 4.15Å; F357-L395 HydrophobicContact CD2-CD2 4.19Å; F357-L395 HydrophobicContact CG-CD2 3.69Å; G391-L395 WeakPolarHBondContact O-CB 3.28Å; G391-L395 PolarHBondContact O-N 2.95Å; F392-L395 PolarHBondContact O-N 2.9Å; L395-G397 PolarHBondContact O-N 2.91Å; L395-S398 PolarHBondContact O-N 3.02Å; L395-S398 PolarHBondContact O-OG 2.87Å; L395-L399 HydrophobicContact CD1-CD2 4.11Å; L395-L399 WeakPolarHBondContact O-CG 3.38Å; L395-L399 PolarHBondContact O-N 3.28Å
396M97.3Very high96.3Very high30 Ų3029.9 Ų29.915%0.14816%0.164CC..Hα-helixtrans-55.7-53.8-179.4-74.3-61.8152.600111.6V354 F392 T393 I394 S398 L399 V415V354-M396 HydrophobicContact CG1-CE 4.23Å; V354-M396 HydrophobicContact CG2-CE 3.75Å; F392-M396 HydrophobicContact CD1-CG 4.1Å; F392-M396 HydrophobicContact CD2-CE 4.15Å; F392-M396 HydrophobicContact CE1-CE 4.16Å; F392-M396 HydrophobicContact CE1-CG 3.79Å; F392-M396 HydrophobicContact CE2-CE 3.28Å; F392-M396 HydrophobicContact CE2-CG 4.31Å; F392-M396 HydrophobicContact CZ-CE 3.3Å; F392-M396 HydrophobicContact CZ-CG 3.92Å; F392-M396 HydrophobicContact CZ-SD 4.26Å; F392-M396 WeakPolarHBondContact O-CB 3.39Å; F392-M396 VanDerWaalsContact O-CG 3.32Å; F392-M396 WeakPolarHBondContact O-CG 3.33Å; F392-M396 PolarHBondContact O-N 3.48Å; T393-M396 PolarHBondContact O-N 3.43Å; I394-M396 PolarHBondContact O-N 3.46Å; M396-S398 PolarHBondContact O-N 3.25Å; M396-L399 WeakPolarHBondContact O-CB 3.38Å; M396-L399 WeakPolarHBondContact O-CG 3.18Å; M396-L399 PolarHBondContact O-N 3.1Å; M396-L399 VanDerWaalsContact O-N 3.1Å; M396-L399 HydrophobicContact SD-CD1 3.87Å; M396-V415 WeakPolarHBondContact O-CG1 3.45Å; M396-V415 HydrophobicContact SD-CG2 3.99Å
397G97.1Very high96Very high0 Ų031.6 Ų31.60%018%0.18CC..Hα-helixtrans-59.6-33.5178.500000112.8T393 I394 L395 L399 V400 P401 Y419 I428T393-G397 PolarHBondContact O-N 3.37Å; I394-G397 PolarHBondContact O-N 3.06Å; L395-G397 PolarHBondContact O-N 2.91Å; G397-L399 VanDerWaalsContact C-N 3.25Å; G397-L399 PolarHBondContact O-N 3.37Å; G397-V400 PolarHBondContact O-N 2.84Å; G397-P401 WeakPolarHBondContact O-CD 3.38Å; G397-Y419 WeakPolarHBondContact O-CD2 3.44Å; G397-I428 VanDerWaalsContact C-CD1 3.48Å; G397-I428 VanDerWaalsContact CA-CD1 3.47Å
398S97.3Very high95.9Very high0 Ų034.8 Ų34.80%020%0.2CC..Hα-helixtrans-76.3-10.3-178.1760000114.2W166 I394 L395 M396 V400 P401W166-S398 PolarHBondContact NE1-OG 3.43Å; I394-S398 VanDerWaalsContact O-CB 3.25Å; I394-S398 WeakPolarHBondContact O-CB 3.48Å; I394-S398 PolarHBondContact O-N 3.33Å; I394-S398 PolarHBondContact O-OG 3.06Å; L395-S398 PolarHBondContact O-N 3.02Å; L395-S398 PolarHBondContact O-OG 2.87Å; M396-S398 PolarHBondContact O-N 3.25Å; S398-V400 VanDerWaalsContact C-N 3.26Å; S398-V400 PolarHBondContact O-N 3.22Å; S398-P401 WeakPolarHBondContact O-CD 3.43Å; S398-P401 WeakPolarHBondContact O-CG 3.46Å
399L97.3Very high95.7Very high5 Ų535.2 Ų35.23%0.02620%0.201CC..Hα-helixtrans-67.9-28.2170.2-55.8-178.9000111.5W166 I350 V354 L395 M396 G397 L402 A403 L411 V415W166-L399 HydrophobicContact CH2-CD2 4.25Å; W166-L399 HydrophobicContact CZ2-CD2 3.83Å; I350-L399 HydrophobicContact CB-CD2 4.49Å; I350-L399 HydrophobicContact CG1-CD2 4.19Å; I350-L399 HydrophobicContact CG2-CD1 3.98Å; I350-L399 HydrophobicContact CG2-CD2 4.2Å; V354-L399 HydrophobicContact CG2-CD1 4.4Å; L395-L399 HydrophobicContact CD1-CD2 4.11Å; L395-L399 WeakPolarHBondContact O-CG 3.38Å; L395-L399 PolarHBondContact O-N 3.28Å; M396-L399 WeakPolarHBondContact O-CB 3.38Å; M396-L399 WeakPolarHBondContact O-CG 3.18Å; M396-L399 PolarHBondContact O-N 3.1Å; M396-L399 VanDerWaalsContact O-N 3.1Å; M396-L399 HydrophobicContact SD-CD1 3.87Å; G397-L399 VanDerWaalsContact C-N 3.25Å; G397-L399 PolarHBondContact O-N 3.37Å; L399-L402 PolarHBondContact O-N 2.69Å; L399-A403 VanDerWaalsContact O-CB 3.26Å; L399-A403 WeakPolarHBondContact O-CB 3.47Å; L399-A403 PolarHBondContact O-N 2.97Å; L399-L411 HydrophobicContact CB-CD1 4.18Å; L399-L411 HydrophobicContact CB-CD2 4.45Å; L399-V415 HydrophobicContact CB-CG1 4.26Å
400V97.2Very high95.5Very high29 Ų2936.6 Ų36.618%0.17621%0.209CC..Hα-helixtrans-62.3-55.7179.6179.30000112.8G397 S398 L402 A403 S404 L411 V415 Y419G397-V400 PolarHBondContact O-N 2.84Å; S398-V400 VanDerWaalsContact C-N 3.26Å; S398-V400 PolarHBondContact O-N 3.22Å; V400-L402 PolarHBondContact O-N 2.76Å; V400-A403 PolarHBondContact O-N 2.81Å; V400-S404 PolarHBondContact O-N 2.65Å; V400-L411 HydrophobicContact CB-CD1 4.39Å; V400-L411 HydrophobicContact CG2-CD1 3.94Å; V400-V415 HydrophobicContact CG2-CG1 3.84Å; V400-Y419 HydrophobicContact CB-CD1 4.26Å; V400-Y419 HydrophobicContact CB-CD2 3.97Å; V400-Y419 HydrophobicContact CB-CG 3.79Å; V400-Y419 HydrophobicContact CG1-CD1 3.84Å; V400-Y419 HydrophobicContact CG1-CD2 4.31Å; V400-Y419 HydrophobicContact CG1-CE1 4.18Å; V400-Y419 HydrophobicContact CG1-CG 3.91Å; V400-Y419 HydrophobicContact CG2-CD2 4.5Å; V400-Y419 HydrophobicContact CG2-CG 3.97Å
401P96.2Very high95.4Very high6 Ų635.7 Ų35.74%0.03920%0.203CC..Hα-helixtrans-67.4-18.8176.728.1-37.7000113.6G397 S398 S404 Y419 I428 S430G397-P401 WeakPolarHBondContact O-CD 3.38Å; S398-P401 WeakPolarHBondContact O-CD 3.43Å; S398-P401 WeakPolarHBondContact O-CG 3.46Å; P401-S404 PolarHBondContact O-OG 3.18Å; P401-Y419 HydrophobicContact CG-CE2 4.47Å; P401-I428 HydrophobicContact CG-CG2 3.91Å; P401-S430 VanDerWaalsContact CB-OG 3.22Å; P401-S430 WeakPolarHBondContact CB-OG 3.4Å
402L96.5Very high95.3Very high0 Ų038.9 Ų38.90%022%0.224CC..Hα-helixtrans-78.2-44.6172.2-177.664.9000111.1W166 F169 F173 V346 I350 L399 V400 S404 L405W166-L402 HydrophobicContact CH2-CD2 3.51Å; W166-L402 HydrophobicContact CZ2-CD2 3.7Å; F169-L402 HydrophobicContact CE1-CD1 4.18Å; F169-L402 HydrophobicContact CE1-CD2 4.18Å; F173-L402 HydrophobicContact CD1-CD1 4.06Å; F173-L402 HydrophobicContact CE1-CD1 4.45Å; V346-L402 HydrophobicContact CG1-CG 4.13Å; I350-L402 HydrophobicContact CG1-CD2 4.17Å; L399-L402 PolarHBondContact O-N 2.69Å; V400-L402 PolarHBondContact O-N 2.76Å; L402-S404 PolarHBondContact O-N 3.43Å; L402-L405 HydrophobicContact CD1-CD1 3.99Å; L402-L405 WeakPolarHBondContact O-CB 3.36Å; L402-L405 WeakPolarHBondContact O-CG 3.37Å; L402-L405 PolarHBondContact O-N 3.4Å
403A96.7Very high95.2Very high6 Ų639.2 Ų39.25%0.0523%0.234CC..Hα-helixtrans-65.6-27.3176.300000112.3I350 L399 V400 L405 D406 I409 L411I350-A403 HydrophobicContact CD1-CB 4.45Å; L399-A403 VanDerWaalsContact O-CB 3.26Å; L399-A403 WeakPolarHBondContact O-CB 3.47Å; L399-A403 PolarHBondContact O-N 2.97Å; V400-A403 PolarHBondContact O-N 2.81Å; A403-L405 PolarHBondContact O-N 2.94Å; A403-L405 VanDerWaalsContact O-N 3.11Å; A403-D406 CarbonylContact O-C 3.36Å; A403-D406 PolarHBondContact O-N 2.92Å; A403-I409 HydrophobicContact CB-CB 4.31Å; A403-I409 HydrophobicContact CB-CG2 3.9Å; A403-L411 HydrophobicContact CB-CD1 3.59Å; A403-L411 HydrophobicContact CB-CD2 4.43Å; A403-L411 HydrophobicContact CB-CG 3.95Å
404S94.7Very high95.2Very high78 Ų7843.2 Ų43.255%0.54525%0.251SS..THydrogen-bonded Turntrans-65.2-11.6176.771.50000114.3V400 P401 L402 D406V400-S404 PolarHBondContact O-N 2.65Å; P401-S404 PolarHBondContact O-OG 3.18Å; L402-S404 PolarHBondContact O-N 3.43Å; S404-D406 PolarHBondContact O-N 2.75Å
405L94Very high95.1Very high25 Ų2543.6 Ų43.613%0.13125%0.253CS..THydrogen-bonded Turntrans-64.3-23.4169.3-64.1178.5000112.5F173 V177 V178 V342 V346 L402 A403F173-L405 HydrophobicContact CD1-CD1 3.87Å; F173-L405 HydrophobicContact CE1-CD1 3.84Å; V177-L405 HydrophobicContact CB-CD1 4.39Å; V177-L405 HydrophobicContact CG1-CB 4.45Å; V177-L405 HydrophobicContact CG1-CD1 4.32Å; V177-L405 HydrophobicContact CG1-CD2 4.22Å; V178-L405 HydrophobicContact CG1-CD2 3.79Å; V342-L405 HydrophobicContact CG1-CB 4.27Å; V346-L405 HydrophobicContact CG2-CB 4.29Å; V346-L405 HydrophobicContact CG2-CD1 4.21Å; L402-L405 HydrophobicContact CD1-CD1 3.99Å; L402-L405 WeakPolarHBondContact O-CB 3.36Å; L402-L405 WeakPolarHBondContact O-CG 3.37Å; L402-L405 PolarHBondContact O-N 3.4Å; A403-L405 PolarHBondContact O-N 2.94Å; A403-L405 VanDerWaalsContact O-N 3.11Å
406D92.4Very high95Very high21 Ų2150.2 Ų50.211%0.11228%0.278CS..SBendtrans-141.2111.6175.5-174.6-31.4000111V342 N343 A403 S404 T408 I409V342-D406 HydrophobicContact CG1-CB 4.32Å; N343-D406 WeakPolarHBondContact CA-OD2 3.37Å; N343-D406 WeakPolarHBondContact CB-OD2 3.25Å; N343-D406 PolarHBondContact ND2-OD2 3.11Å; A403-D406 CarbonylContact O-C 3.36Å; A403-D406 PolarHBondContact O-N 2.92Å; S404-D406 PolarHBondContact O-N 2.75Å; D406-T408 VanDerWaalsContact CG-OG1 3.31Å; D406-T408 PolarHBondContact O-N 3.49Å; D406-T408 VanDerWaalsContact OD1-CB 3.29Å; D406-T408 WeakPolarHBondContact OD1-CB 3.45Å; D406-T408 WeakPolarHBondContact OD1-CG2 3.4Å; D406-T408 PolarHBondContact OD1-N 3.13Å; D406-T408 PolarHBondContact OD1-OG1 3.29Å; D406-T408 PolarHBondContact OD2-OG1 2.84Å; D406-I409 HydrophobicContact CB-CD1 3.99Å; D406-I409 HydrophobicContact CB-CG1 4.16Å; D406-I409 PolarHBondContact O-N 2.84Å; D406-I409 VanDerWaalsContact O-N 3.08Å
407S88Confident95Very high121 Ų12154.4 Ų54.485%0.84630%0.297SS*.THydrogen-bonded Turntrans-61.6-16.4-177.653.80000115I409S407-I409 VanDerWaalsContact C-N 3.28Å
408T92.2Very high95Very high90 Ų9056.3 Ų56.355%0.55231%0.309SS*.THydrogen-bonded Turntrans-77.8-14.6177.9690000112.8N343 D406 Q410N343-T408 PolarHBondContact ND2-OG1 2.66Å; D406-T408 VanDerWaalsContact CG-OG1 3.31Å; D406-T408 PolarHBondContact O-N 3.49Å; D406-T408 VanDerWaalsContact OD1-CB 3.29Å; D406-T408 WeakPolarHBondContact OD1-CB 3.45Å; D406-T408 WeakPolarHBondContact OD1-CG2 3.4Å; D406-T408 PolarHBondContact OD1-N 3.13Å; D406-T408 PolarHBondContact OD1-OG1 3.29Å; D406-T408 PolarHBondContact OD2-OG1 2.84Å; T408-Q410 PolarHBondContact O-N 3.17Å
409I92.5Very high95Very high18 Ų1858.4 Ų58.49%0.09232%0.317CS..  trans-82.1111.9-179.1-60.3-179.9000109.6V346 K347 I350 A403 D406 S407V346-I409 HydrophobicContact CB-CD1 3.51Å; V346-I409 HydrophobicContact CG1-CD1 3.3Å; K347-I409 HydrophobicContact CG-CD1 4.05Å; K347-I409 HydrophobicContact CG-CG1 4.26Å; I350-I409 HydrophobicContact CD1-CG2 4.07Å; A403-I409 HydrophobicContact CB-CB 4.31Å; A403-I409 HydrophobicContact CB-CG2 3.9Å; D406-I409 HydrophobicContact CB-CD1 3.99Å; D406-I409 HydrophobicContact CB-CG1 4.16Å; D406-I409 PolarHBondContact O-N 2.84Å; D406-I409 VanDerWaalsContact O-N 3.08Å; S407-I409 VanDerWaalsContact C-N 3.28Å
410Q92.6Very high94.9Very high171 Ų17165.4 Ų65.480%0.79935%0.347SS*.  trans-93.4131.1176.5-61.9-173.8-2.100110.5T408T408-Q410 PolarHBondContact O-N 3.17Å
411L94.1Very high94.8Very high23 Ų2369.4 Ų69.412%0.1236%0.364CS..  trans-109.1148.4175.7-67.6175.4000110.2I350 L399 V400 A403 V415I350-L411 HydrophobicContact CD1-CD2 4.25Å; L399-L411 HydrophobicContact CB-CD1 4.18Å; L399-L411 HydrophobicContact CB-CD2 4.45Å; V400-L411 HydrophobicContact CB-CD1 4.39Å; V400-L411 HydrophobicContact CG2-CD1 3.94Å; A403-L411 HydrophobicContact CB-CD1 3.59Å; A403-L411 HydrophobicContact CB-CD2 4.43Å; A403-L411 HydrophobicContact CB-CG 3.95Å; L411-V415 HydrophobicContact CB-CB 4.44Å; L411-V415 HydrophobicContact CB-CG1 4.35Å; L411-V415 HydrophobicContact CD1-CG1 3.99Å
412P94.9Very high94.8Very high68 Ų6870.6 Ų70.644%0.44237%0.37SS..  trans-54.5147.4173.9-24.933.7000112.5Q414 V415 R416P412-Q414 PolarHBondContact O-N 3.18Å; P412-V415 HydrophobicContact CB-CG2 4.36Å; P412-V415 HydrophobicContact CG-CG2 4.42Å; P412-V415 WeakPolarHBondContact O-CB 3.4Å; P412-V415 PolarHBondContact O-N 3.15Å; P412-R416 PolarHBondContact O-N 2.97Å
413P95.7Very high94.7Very high91 Ų9175.1 Ų75.159%0.59139%0.391SS*.Hα-helixtrans-59.7-31.9-178.322.6-32.1000112.8V415 R416 Q417P413-V415 VanDerWaalsContact C-N 3.31Å; P413-V415 PolarHBondContact O-N 3.09Å; P413-R416 PolarHBondContact O-N 2.8Å; P413-Q417 PolarHBondContact O-N 3.21Å
414Q96.4Very high94.6Very high121 Ų12177.8 Ų77.857%0.56541%0.408SS*.Hα-helixtrans-61.1-40177-59.681.5-0.900111.5P412 Q417 V418P412-Q414 PolarHBondContact O-N 3.18Å; Q414-Q417 WeakPolarHBondContact O-CB 3.37Å; Q414-Q417 PolarHBondContact O-N 3.03Å; Q414-V418 WeakPolarHBondContact O-CG2 3.45Å; Q414-V418 PolarHBondContact O-N 3.03Å
415V95.9Very high94.7Very high13 Ų1376.2 Ų76.28%0.07939%0.39CS..Hα-helixtrans-64.8-42.5178.2172.80000110.9M396 L399 V400 L411 P412 P413 Q417 V418 Y419M396-V415 WeakPolarHBondContact O-CG1 3.45Å; M396-V415 HydrophobicContact SD-CG2 3.99Å; L399-V415 HydrophobicContact CB-CG1 4.26Å; V400-V415 HydrophobicContact CG2-CG1 3.84Å; L411-V415 HydrophobicContact CB-CB 4.44Å; L411-V415 HydrophobicContact CB-CG1 4.35Å; L411-V415 HydrophobicContact CD1-CG1 3.99Å; P412-V415 HydrophobicContact CB-CG2 4.36Å; P412-V415 HydrophobicContact CG-CG2 4.42Å; P412-V415 WeakPolarHBondContact O-CB 3.4Å; P412-V415 PolarHBondContact O-N 3.15Å; P413-V415 VanDerWaalsContact C-N 3.31Å; P413-V415 PolarHBondContact O-N 3.09Å; V415-Q417 VanDerWaalsContact C-N 3.33Å; V415-Q417 PolarHBondContact O-N 3Å; V415-V418 PolarHBondContact O-N 3.39Å; V415-Y419 PolarHBondContact O-N 2.83Å; V415-Y419 VanDerWaalsContact O-N 3.07Å
416R95.9Very high94.8Very high138 Ų13878.3 Ų78.352%0.52140%0.397SS..Hα-helixtrans-65-37.8175.2-65.5179.7177.2166.1-0.8112P412 P413 Y419 K420P412-R416 PolarHBondContact O-N 2.97Å; P413-R416 PolarHBondContact O-N 2.8Å; R416-Y419 PolarHBondContact O-N 3.38Å; R416-K420 PolarHBondContact O-N 2.95Å
417Q96.7Very high95Very high118 Ų11877.8 Ų77.855%0.55139%0.394SS*.Hα-helixtrans-63.8-47.2175.8-173.41750.400111P413 Q414 V415 Y419 K420 H421P413-Q417 PolarHBondContact O-N 3.21Å; Q414-Q417 WeakPolarHBondContact O-CB 3.37Å; Q414-Q417 PolarHBondContact O-N 3.03Å; V415-Q417 VanDerWaalsContact C-N 3.33Å; V415-Q417 PolarHBondContact O-N 3Å; Q417-Y419 VanDerWaalsContact C-N 3.33Å; Q417-Y419 PolarHBondContact O-N 3.47Å; Q417-K420 PolarHBondContact O-N 3.47Å; Q417-H421 VanDerWaalsContact CG-CE1 3.45Å; Q417-H421 WeakPolarHBondContact CG-CE1 3.47Å; Q417-H421 PolarHBondContact O-N 3Å; Q417-H421 VanDerWaalsContact O-N 3.11Å; Q417-H421 PolarHBondContact O-ND1 2.95Å
418V97.1Very high95.4Very high41 Ų4172 Ų7225%0.24835%0.353CS..Hα-helixtrans-56.7-47.2175.8171.60000111.1T393 Q414 V415 K420 H421 L422T393-V418 HydrophobicContact CG2-CG1 3.62Å; T393-V418 WeakPolarHBondContact O-CG1 3.1Å; Q414-V418 WeakPolarHBondContact O-CG2 3.45Å; Q414-V418 PolarHBondContact O-N 3.03Å; V415-V418 PolarHBondContact O-N 3.39Å; V418-K420 PolarHBondContact O-N 3.47Å; V418-H421 PolarHBondContact O-N 3.2Å; V418-L422 HydrophobicContact CG1-CD1 3.97Å; V418-L422 WeakPolarHBondContact O-CG 3.39Å; V418-L422 PolarHBondContact O-N 3.19Å; V418-L422 VanDerWaalsContact O-N 3.13Å
419Y97.2Very high95.5Very high43 Ų4368.4 Ų68.417%0.16933%0.331CS..Hα-helixtrans-56.7-47.6175.9174.3-101.2000112.3G397 V400 P401 V415 R416 Q417 H421 L422 Q423 I428G397-Y419 WeakPolarHBondContact O-CD2 3.44Å; V400-Y419 HydrophobicContact CB-CD1 4.26Å; V400-Y419 HydrophobicContact CB-CD2 3.97Å; V400-Y419 HydrophobicContact CB-CG 3.79Å; V400-Y419 HydrophobicContact CG1-CD1 3.84Å; V400-Y419 HydrophobicContact CG1-CD2 4.31Å; V400-Y419 HydrophobicContact CG1-CE1 4.18Å; V400-Y419 HydrophobicContact CG1-CG 3.91Å; V400-Y419 HydrophobicContact CG2-CD2 4.5Å; V400-Y419 HydrophobicContact CG2-CG 3.97Å; P401-Y419 HydrophobicContact CG-CE2 4.47Å; V415-Y419 PolarHBondContact O-N 2.83Å; V415-Y419 VanDerWaalsContact O-N 3.07Å; R416-Y419 PolarHBondContact O-N 3.38Å; Q417-Y419 VanDerWaalsContact C-N 3.33Å; Q417-Y419 PolarHBondContact O-N 3.47Å; Y419-H421 VanDerWaalsContact C-N 3.26Å; Y419-H421 PolarHBondContact O-N 3.27Å; Y419-L422 PolarHBondContact O-N 3.25Å; Y419-L422 VanDerWaalsContact O-N 3.13Å; Y419-Q423 WeakPolarHBondContact O-CB 3.4Å; Y419-Q423 PolarHBondContact O-N 3.21Å; Y419-I428 HydrophobicContact CD2-CB 4.37Å; Y419-I428 HydrophobicContact CD2-CG2 3.85Å; Y419-I428 HydrophobicContact CE2-CB 4.47Å; Y419-I428 HydrophobicContact CE2-CG2 3.95Å
420K96.1Very high95.6Very high153 Ų15370.1 Ų70.167%0.66535%0.345SS*.Hα-helixtrans-59.1-34.8179.1-176.6177.3178.1-178.30112.9R416 Q417 V418 P424R416-K420 PolarHBondContact O-N 2.95Å; Q417-K420 PolarHBondContact O-N 3.47Å; V418-K420 PolarHBondContact O-N 3.47Å; K420-P424 WeakPolarHBondContact O-CD 3.17Å
421H95.2Very high95.7Very high113 Ų11362.5 Ų62.552%0.52331%0.309SS..Hα-helixtrans-76-31.5177.9-7180.7000112.8Q417 V418 Y419 Y425Q417-H421 VanDerWaalsContact CG-CE1 3.45Å; Q417-H421 WeakPolarHBondContact CG-CE1 3.47Å; Q417-H421 PolarHBondContact O-N 3Å; Q417-H421 VanDerWaalsContact O-N 3.11Å; Q417-H421 PolarHBondContact O-ND1 2.95Å; V418-H421 PolarHBondContact O-N 3.2Å; Y419-H421 VanDerWaalsContact C-N 3.26Å; Y419-H421 PolarHBondContact O-N 3.27Å; H421-Y425 WeakPolarHBondContact O-CD2 3.33Å; H421-Y425 WeakPolarHBondContact O-CE2 3.4Å
422L95.7Very high95.5Very high30 Ų3062.5 Ų62.516%0.15731%0.314CS..Hα-helixtrans-88.9-25.1-177.8-66.2-178.5000113.8T393 V418 Y419 P424 Y425 I427 I428T393-L422 HydrophobicContact CG2-CD1 4.06Å; V418-L422 HydrophobicContact CG1-CD1 3.97Å; V418-L422 WeakPolarHBondContact O-CG 3.39Å; V418-L422 PolarHBondContact O-N 3.19Å; V418-L422 VanDerWaalsContact O-N 3.13Å; Y419-L422 PolarHBondContact O-N 3.25Å; Y419-L422 VanDerWaalsContact O-N 3.13Å; L422-P424 VanDerWaalsContact C-CD 3.5Å; L422-Y425 PolarHBondContact O-N 3.23Å; L422-Y425 VanDerWaalsContact O-N 3.12Å; L422-I427 HydrophobicContact CD2-CD1 4.1Å; L422-I428 HydrophobicContact CB-CD1 4Å; L422-I428 HydrophobicContact CB-CG1 4.3Å; L422-I428 HydrophobicContact CD1-CD1 3.35Å; L422-I428 HydrophobicContact CD1-CG1 4.19Å; L422-I428 HydrophobicContact CG-CD1 4.33Å
423Q94.7Very high94.9Very high96 Ų9660.1 Ų60.145%0.44930%0.297SS..G310 helixtrans-54.6-43.9-178.2-173.6-163.2-12.700113.7Y419 Y425 Y426Y419-Q423 WeakPolarHBondContact O-CB 3.4Å; Y419-Q423 PolarHBondContact O-N 3.21Å; Q423-Y425 PolarHBondContact O-N 2.82Å; Q423-Y425 VanDerWaalsContact O-N 3.08Å; Q423-Y426 PolarHBondContact O-N 2.78Å
424P94.3Very high94.2Very high62 Ų6258.1 Ų58.140%0.40328%0.279SS..G310 helixtrans-63.5-16.4-179.7-23.435.6000114.8K117 K420 L422K117-P424 WeakPolarHBondContact CE-O 3.26Å; K117-P424 PolarHBondContact NZ-O 3.46Å; K420-P424 WeakPolarHBondContact O-CD 3.17Å; L422-P424 VanDerWaalsContact C-CD 3.5Å
425Y96.3Very high93.8Very high44 Ų4458.8 Ų58.817%0.17328%0.277CS..G310 helixtrans-97.7-1177.3-57.9-81.3000112.7I59 L62 W109 L113 H421 L422 Q423 I427I59-Y425 WeakPolarHBondContact O-CE1 3.21Å; I59-Y425 PolarHBondContact O-OH 3.26Å; L62-Y425 HydrophobicContact CB-CD1 4.36Å; L62-Y425 HydrophobicContact CB-CE1 4.01Å; L62-Y425 HydrophobicContact CD2-CD1 4.38Å; L62-Y425 HydrophobicContact CD2-CE1 4.44Å; W109-Y425 HydrophobicContact CH2-CD1 4.31Å; W109-Y425 VanDerWaalsContact CZ2-O 3.28Å; W109-Y425 WeakPolarHBondContact CZ2-O 3.41Å; L113-Y425 HydrophobicContact CD2-CD1 4.48Å; H421-Y425 WeakPolarHBondContact O-CD2 3.33Å; H421-Y425 WeakPolarHBondContact O-CE2 3.4Å; L422-Y425 PolarHBondContact O-N 3.23Å; L422-Y425 VanDerWaalsContact O-N 3.12Å; Q423-Y425 PolarHBondContact O-N 2.82Å; Q423-Y425 VanDerWaalsContact O-N 3.08Å; Y425-I427 HydrophobicContact CG-CD1 4.46Å; Y425-I427 PolarHBondContact O-N 3.36Å; Y425-I427 VanDerWaalsContact O-N 3.09Å
426Y96.1Very high93.6Very high69 Ų6966.1 Ų66.127%0.27130%0.303SS..THydrogen-bonded Turntrans55.126.1-177.7-64.4-94.5000113.8L113 L116 I129 L132 E133 Q423 I428 N429L113-Y426 HydrophobicContact CD1-CD2 3.66Å; L113-Y426 HydrophobicContact CD1-CE2 4.44Å; L113-Y426 HydrophobicContact CD1-CG 4.48Å; L116-Y426 HydrophobicContact CD2-CD1 4.41Å; L116-Y426 HydrophobicContact CD2-CD2 4.19Å; L116-Y426 HydrophobicContact CD2-CE1 3.91Å; L116-Y426 HydrophobicContact CD2-CE2 3.66Å; L116-Y426 VanDerWaalsContact CD2-CZ 3.5Å; I129-Y426 HydrophobicContact CB-CD1 4.21Å; I129-Y426 HydrophobicContact CG2-CD1 3.49Å; I129-Y426 VanDerWaalsContact CG2-CD1 3.49Å; I129-Y426 HydrophobicContact CG2-CE1 3.82Å; I129-Y426 HydrophobicContact CG2-CG 4.48Å; L132-Y426 HydrophobicContact CD1-CD2 4.44Å; L132-Y426 HydrophobicContact CD1-CG 4.1Å; E133-Y426 WeakPolarHBondContact CG-O 3.27Å; Q423-Y426 PolarHBondContact O-N 2.78Å; Y426-I428 PolarHBondContact O-N 2.67Å; Y426-N429 WeakPolarHBondContact CD1-OD1 3.31Å; Y426-N429 PolarHBondContact O-ND2 2.93Å
427I96.7Very high93.5Very high10 Ų1060.2 Ų60.25%0.05128%0.281CS..SBendtrans-72.4-21.9174.3-63.2168.7000110.4W109 E133 F136 I394 L422 Y425W109-I427 HydrophobicContact CH2-CD1 4.39Å; W109-I427 HydrophobicContact CH2-CG1 4.42Å; W109-I427 HydrophobicContact CZ2-CD1 4.18Å; W109-I427 HydrophobicContact CZ2-CG1 3.74Å; E133-I427 VanDerWaalsContact CG-O 3.29Å; E133-I427 WeakPolarHBondContact CG-O 3.29Å; F136-I427 HydrophobicContact CD1-CD1 4.5Å; F136-I427 HydrophobicContact CD1-CG1 4.4Å; F136-I427 HydrophobicContact CD1-CG2 3.8Å; F136-I427 HydrophobicContact CD2-CD1 3.85Å; F136-I427 HydrophobicContact CD2-CG1 3.84Å; F136-I427 HydrophobicContact CE1-CD1 4.25Å; F136-I427 HydrophobicContact CE1-CG2 4.11Å; F136-I427 HydrophobicContact CE2-CD1 3.56Å; F136-I427 HydrophobicContact CE2-CG1 4.1Å; F136-I427 HydrophobicContact CG-CD1 4.31Å; F136-I427 HydrophobicContact CG-CG1 4Å; F136-I427 HydrophobicContact CG-CG2 4.13Å; F136-I427 HydrophobicContact CZ-CD1 3.79Å; F136-I427 HydrophobicContact CZ-CG1 4.49Å; I394-I427 HydrophobicContact CG1-CG2 4.08Å; L422-I427 HydrophobicContact CD2-CD1 4.1Å; Y425-I427 HydrophobicContact CG-CD1 4.46Å; Y425-I427 PolarHBondContact O-N 3.36Å; Y425-I427 VanDerWaalsContact O-N 3.09Å
428I96.3Very high93.2Very high0 Ų056.3 Ų56.30%027%0.266CS..SBendtrans-142.7121.3-177-54.3-179.7000109.6I394 G397 P401 Y419 L422 Y426I394-I428 WeakPolarHBondContact O-CD1 3.44Å; G397-I428 VanDerWaalsContact C-CD1 3.48Å; G397-I428 VanDerWaalsContact CA-CD1 3.47Å; P401-I428 HydrophobicContact CG-CG2 3.91Å; Y419-I428 HydrophobicContact CD2-CB 4.37Å; Y419-I428 HydrophobicContact CD2-CG2 3.85Å; Y419-I428 HydrophobicContact CE2-CB 4.47Å; Y419-I428 HydrophobicContact CE2-CG2 3.95Å; L422-I428 HydrophobicContact CB-CD1 4Å; L422-I428 HydrophobicContact CB-CG1 4.3Å; L422-I428 HydrophobicContact CD1-CD1 3.35Å; L422-I428 HydrophobicContact CD1-CG1 4.19Å; L422-I428 HydrophobicContact CG-CD1 4.33Å; Y426-I428 PolarHBondContact O-N 2.67Å
429N95.8Very high92.8Very high14 Ų1455 Ų558%0.07526%0.26CS..  trans-136.5169.1-177.5-50.3-82000112.4I129 E133 R170 Y426I129-N429 HydrophobicContact CD1-CB 3.79Å; I129-N429 HydrophobicContact CG1-CB 4.27Å; E133-N429 WeakPolarHBondContact CG-ND2 3.19Å; E133-N429 WeakPolarHBondContact OE1-CA 3.36Å; E133-N429 WeakPolarHBondContact OE1-CB 3.37Å; E133-N429 PolarHBondContact OE1-N 3.49Å; E133-N429 PolarHBondContact OE1-ND2 2.87Å; R170-N429 PolarHBondContact NH1-O 3.2Å; Y426-N429 WeakPolarHBondContact CD1-OD1 3.31Å; Y426-N429 PolarHBondContact O-ND2 2.93Å
430S94.6Very high92.6Very high55 Ų5556.7 Ų56.739%0.38528%0.275SS..  trans-98.3143.6173.9-57.90000111.1Q126 P401Q126-S430 PolarHBondContact NE2-O 3.43Å; P401-S430 VanDerWaalsContact CB-OG 3.22Å; P401-S430 WeakPolarHBondContact CB-OG 3.4Å
431Y95.1Very high92.3Very high11 Ų1151.3 Ų51.34%0.04326%0.263CS..  trans-118.1142.5179-60.7-70.9000111.2L130 E133 L167 L171 S174L130-Y431 HydrophobicContact CB-CE1 4.02Å; L130-Y431 HydrophobicContact CD1-CE1 3.92Å; L130-Y431 WeakPolarHBondContact CD1-OH 3.48Å; L130-Y431 HydrophobicContact CG-CE1 4.5Å; E133-Y431 PolarHBondContact OE1-OH 3.28Å; L167-Y431 HydrophobicContact CD1-CE2 3.9Å; L171-Y431 HydrophobicContact CB-CD2 4.48Å; L171-Y431 HydrophobicContact CD1-CD1 3.65Å; L171-Y431 HydrophobicContact CD1-CD2 4.38Å; L171-Y431 HydrophobicContact CD1-CE1 4.17Å; L171-Y431 HydrophobicContact CD1-CG 3.78Å; S174-Y431 WeakPolarHBondContact CB-O 3.26Å
432G89.3Confident92.3Very high22 Ų2246.2 Ų46.223%0.22724%0.241CC..  trans-174.853.8-174.400000113.8Q126Q126-G432 VanDerWaalsContact NE2-N 3.12Å
433L81Confident92.3Very high18 Ų1844.8 Ų44.89%0.09423%0.233CC..THydrogen-bonded Turntrans-67.9137.2-177.6-72.3163.5000111.9Q126 F267 R435Q126-L433 HydrophobicContact CB-CD2 4.19Å; F267-L433 HydrophobicContact CD1-CD1 4.32Å; F267-L433 HydrophobicContact CE1-CD1 3.44Å; F267-L433 VanDerWaalsContact CE1-CD1 3.44Å; F267-L433 HydrophobicContact CE2-CD1 3.73Å; F267-L433 HydrophobicContact CZ-CD1 3.09Å; L433-R435 PolarHBondContact O-N 2.66Å
434F82.4Confident92.4Very high50 Ų5041 Ų4122%0.21922%0.217CC..THydrogen-bonded Turntrans53.138175.8-51.9-69.5000114.1W187 Y264 R436W187-F434 HydrophobicContact CZ2-CB 4.19Å; W187-F434 WeakPolarHBondContact CZ2-O 3.04Å; W187-F434 PolarHBondContact NE1-O 3.07Å; Y264-F434 HydrophobicContact CD1-CE2 4.41Å; Y264-F434 HydrophobicContact CD1-CZ 4.03Å; Y264-F434 HydrophobicContact CE1-CE1 4.23Å; Y264-F434 AromaticContact CE1-CE2 3.83Å; Y264-F434 HydrophobicContact CE1-CE2 3.83Å; Y264-F434 AromaticContact CE1-CZ 3.33Å; Y264-F434 HydrophobicContact CE1-CZ 3.33Å; F434-R436 VanDerWaalsContact C-N 3.25Å; F434-R436 PolarHBondContact O-N 3.38Å
435R88.1Confident92.6Very high135 Ų13538 Ų3851%0.50920%0.198SC..SBendtrans-47.5-48.2-179.8-176.4171.5-174.8-164.7-0.5111.8V178 S182 W187 L433V178-R435 HydrophobicContact CB-CG 4.25Å; V178-R435 HydrophobicContact CG2-CB 4.35Å; V178-R435 HydrophobicContact CG2-CG 4.45Å; V178-R435 WeakPolarHBondContact O-CG 3.45Å; S182-R435 WeakPolarHBondContact CB-O 3.38Å; S182-R435 PolarHBondContact OG-O 3.34Å; W187-R435 PolarHBondContact NE1-O 3.33Å; L433-R435 PolarHBondContact O-N 2.66Å
436R91.4Very high92.6Very high167 Ų16736 Ų3663%0.6319%0.19SC*.SBendtrans-115.1139.3170.6-70.1-173.7171.2-172.5-0.8110S182 C184 F434 T438S182-R436 PolarHBondContact O-NE 3.28Å; S182-R436 PolarHBondContact O-NH2 3.42Å; C184-R436 HydrophobicContact CB-CG 4.36Å; F434-R436 VanDerWaalsContact C-N 3.25Å; F434-R436 PolarHBondContact O-N 3.38Å; R436-T438 PolarHBondContact O-N 2.67Å
437M93.2Very high92.7Very high14 Ų1432.9 Ų32.97%0.06918%0.178CC..  trans-68.8124.3172.4-169.953.368.300109.5C184 T186 W187 A192 W195 H196 V440C184-M437 PolarHBondContact SG-N 3.17Å; T186-M437 HydrophobicContact CG2-CB 4.46Å; T186-M437 WeakPolarHBondContact OG1-CB 3.05Å; W187-M437 HydrophobicContact CH2-CE 3.57Å; W187-M437 HydrophobicContact CZ2-CE 3.47Å; W187-M437 VanDerWaalsContact CZ2-CE 3.47Å; W187-M437 HydrophobicContact CZ3-CE 4.38Å; A192-M437 HydrophobicContact CB-CE 3.6Å; A192-M437 WeakPolarHBondContact O-CE 3.18Å; W195-M437 HydrophobicContact CB-CG 4.26Å; H196-M437 HydrophobicContact CB-CE 3.71Å; H196-M437 HydrophobicContact CB-SD 3.99Å; M437-V440 HydrophobicContact CB-CG2 4.27Å; M437-V440 HydrophobicContact CG-CG2 4.11Å
438T90.4Very high92.8Very high36 Ų3632.4 Ų32.422%0.22118%0.176CC..  trans-98.6157.2176.8540000109.9S199 R436 V440 W489 L493S199-T438 WeakPolarHBondContact CB-O 3.45Å; S199-T438 PolarHBondContact OG-O 2.93Å; R436-T438 PolarHBondContact O-N 2.67Å; T438-V440 VanDerWaalsContact C-N 3.33Å; T438-V440 PolarHBondContact O-N 3.48Å; T438-W489 HydrophobicContact CG2-CH2 4.41Å; T438-W489 WeakPolarHBondContact OG1-CH2 3.35Å; T438-W489 WeakPolarHBondContact OG1-CZ2 3.08Å; T438-L493 HydrophobicContact CG2-CD1 3.81Å; T438-L493 HydrophobicContact CG2-CD2 4.01Å
439G89.1Confident92.9Very high13 Ų1333 Ų3313%0.13418%0.178CC..  trans65.930.2179.700000115G441 G442G439-G441 PolarHBondContact O-N 2.83Å; G439-G442 CarbonylContact C-O 3.36Å; G439-G442 VanDerWaalsContact C-O 3.26Å; G439-G442 WeakPolarHBondContact CA-O 3.27Å; G439-G442 CarbonylContact O-C 3.59Å; G439-G442 PolarHBondContact O-N 3.33Å
440V92.3Very high93Very high78 Ų7832.3 Ų32.347%0.47318%0.175SC..THydrogen-bonded Turntrans-63.5125.9169.1-178.80000108.3T186 W195 M437 T438 G442T186-V440 HydrophobicContact CG2-CG1 4.38Å; T186-V440 HydrophobicContact CG2-CG2 3.77Å; W195-V440 HydrophobicContact CD2-CG1 4.29Å; W195-V440 HydrophobicContact CG-CG2 4.48Å; W195-V440 HydrophobicContact CZ2-CG1 4.29Å; M437-V440 HydrophobicContact CB-CG2 4.27Å; M437-V440 HydrophobicContact CG-CG2 4.11Å; T438-V440 VanDerWaalsContact C-N 3.33Å; T438-V440 PolarHBondContact O-N 3.48Å; V440-G442 VanDerWaalsContact C-N 3.34Å
441G91.1Very high93.1Very high41 Ų4129.8 Ų29.842%0.42316%0.157SC..THydrogen-bonded Turntrans84.34.5-172.700000114.5W195 G439 H540W195-G441 VanDerWaalsContact CE3-N 3.26Å; G439-G441 PolarHBondContact O-N 2.83Å; G441-H540 PolarHBondContact O-CE1 2.93Å; G441-H540 PolarHBondContact O-NE2 2.63Å
442G93.4Very high93.2Very high5 Ų532.8 Ų32.85%0.05218%0.18CC..SBendtrans134.8149.6178.200000112.8G439 V440 P444 H540G439-G442 CarbonylContact C-O 3.36Å; G439-G442 VanDerWaalsContact C-O 3.26Å; G439-G442 WeakPolarHBondContact CA-O 3.27Å; G439-G442 CarbonylContact O-C 3.59Å; G439-G442 PolarHBondContact O-N 3.33Å; V440-G442 VanDerWaalsContact C-N 3.34Å; G442-P444 VanDerWaalsContact O-CD 3.31Å; G442-P444 WeakPolarHBondContact O-CD 3.39Å; G442-H540 VanDerWaalsContact CA-CE1 3.44Å; G442-H540 WeakPolarHBondContact CA-CE1 3.4Å
443R96.4Very high93.4Very high0 Ų035.3 Ų35.30%019%0.188CC..EExtended strand (participates in β ladder)trans-75.7116.7-178.6177.8-159.1173.690.63.6110Q198 Q200 C201 E445 P467 T538 Y539Q198-R443 WeakPolarHBondContact O-CD 3.19Å; Q200-R443 PolarHBondContact O-NH1 3Å; C201-R443 PolarHBondContact O-NH1 3.04Å; C201-R443 VanDerWaalsContact O-NH1 3.14Å; C201-R443 PolarHBondContact O-NH2 3.46Å; R443-E445 IonicContact CZ-OE2 3.52Å; R443-E445 IonicContact NE-OE2 3.28Å; R443-E445 PolarHBondContact NE-OE2 3Å; R443-E445 IonicContact NH2-OE2 3.35Å; R443-E445 PolarHBondContact NH2-OE2 2.92Å; R443-E445 PolarHBondContact O-N 3.25Å; R443-P467 VanDerWaalsContact NH2-CD 3.33Å; R443-T538 CarbonylContact O-C 3.58Å; R443-T538 WeakPolarHBondContact O-CA 3.4Å; R443-Y539 PolarHBondContact N-O 2.84Å; R443-Y539 PolarHBondContact O-N 3.02Å
444P97.1Very high93.9Very high17 Ų1737.5 Ų37.511%0.1120%0.204CC..EExtended strand (participates in β ladder)trans-68.1131.9169.228.2-31.5000109.6G442 A492 L493 L536 Y537G442-P444 VanDerWaalsContact O-CD 3.31Å; G442-P444 WeakPolarHBondContact O-CD 3.39Å; P444-A492 HydrophobicContact CB-CB 4.2Å; P444-L493 HydrophobicContact CG-CD2 3.71Å; P444-L536 HydrophobicContact CB-CD1 3.93Å; P444-Y537 WeakPolarHBondContact CA-O 3.49Å
445E97.8Very high94.5Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-139.9133-178.6-169.257.8-116.800110R443 I447 K466 Y537 Y539R443-E445 IonicContact CZ-OE2 3.52Å; R443-E445 IonicContact NE-OE2 3.28Å; R443-E445 PolarHBondContact NE-OE2 3Å; R443-E445 IonicContact NH2-OE2 3.35Å; R443-E445 PolarHBondContact NH2-OE2 2.92Å; R443-E445 PolarHBondContact O-N 3.25Å; E445-I447 HydrophobicContact CG-CD1 4.38Å; E445-K466 WeakPolarHBondContact OE1-CD 3.36Å; E445-K466 WeakPolarHBondContact OE1-CE 3.28Å; E445-K466 IonicContact OE1-NZ 3.01Å; E445-K466 PolarHBondContact OE1-NZ 2.66Å; E445-Y537 PolarHBondContact N-O 3.45Å; E445-Y537 PolarHBondContact O-N 3.49Å; E445-Y539 HydrophobicContact CB-CD2 3.48Å; E445-Y539 VanDerWaalsContact CB-CD2 3.48Å; E445-Y539 HydrophobicContact CB-CE2 3.67Å; E445-Y539 HydrophobicContact CB-CG 4.18Å; E445-Y539 HydrophobicContact CG-CD2 4.1Å; E445-Y539 HydrophobicContact CG-CE2 3.91Å
446L97.9Very high94.7Very high0 Ų035.2 Ų35.20%021%0.211CC..EExtended strand (participates in β ladder)trans-92.2129.5178-67175.7000110.1K466 M488 A491 A492 F502 L536 Y559L446-K466 PolarHBondContact O-NZ 3.05Å; L446-K466 VanDerWaalsContact O-NZ 3.11Å; L446-M488 HydrophobicContact CB-CE 3.78Å; L446-M488 HydrophobicContact CD1-CE 4.17Å; L446-A491 HydrophobicContact CD1-CB 3.75Å; L446-A492 HydrophobicContact CD1-CB 4.28Å; L446-A492 HydrophobicContact CG-CB 3.84Å; L446-F502 HydrophobicContact CD1-CE2 4.29Å; L446-L536 HydrophobicContact CD2-CB 4.28Å; L446-L536 HydrophobicContact CD2-CD1 3.82Å; L446-Y559 HydrophobicContact CD1-CD1 4.18Å; L446-Y559 HydrophobicContact CD1-CE1 3.72Å; L446-Y559 HydrophobicContact CD1-CE2 4.33Å; L446-Y559 HydrophobicContact CD2-CD1 3.69Å; L446-Y559 HydrophobicContact CD2-CD2 3.54Å; L446-Y559 HydrophobicContact CD2-CE1 4Å; L446-Y559 HydrophobicContact CD2-CE2 3.86Å; L446-Y559 HydrophobicContact CD2-CG 3.42Å; L446-Y559 VanDerWaalsContact CD2-CG 3.42Å
447I98Very high94.9Very high5 Ų531.5 Ų31.53%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-114.4119.7174.7-56.5-59.5000107.8E445 E449 E460 A534 H535 Y537 Y539E445-I447 HydrophobicContact CG-CD1 4.38Å; I447-E449 HydrophobicContact CG2-CG 4.15Å; I447-E460 HydrophobicContact CG2-CB 4.26Å; I447-E460 VanDerWaalsContact CG2-CD 3.44Å; I447-E460 HydrophobicContact CG2-CG 3.57Å; I447-E460 WeakPolarHBondContact CG2-OE2 3.45Å; I447-A534 WeakPolarHBondContact O-CA 3.34Å; I447-H535 PolarHBondContact N-O 3.37Å; I447-H535 PolarHBondContact O-N 2.99Å; I447-Y537 HydrophobicContact CB-CD2 3.92Å; I447-Y537 HydrophobicContact CB-CE2 3.9Å; I447-Y537 HydrophobicContact CG1-CD2 3.49Å; I447-Y537 VanDerWaalsContact CG1-CD2 3.49Å; I447-Y537 HydrophobicContact CG1-CE2 3.87Å; I447-Y537 HydrophobicContact CG1-CG 4.28Å; I447-Y537 HydrophobicContact CG2-CE2 4.48Å; I447-Y539 HydrophobicContact CD1-CE2 4.44Å; I447-Y539 WeakPolarHBondContact CD1-OH 3.23Å
448L98.2Very high95.1Very high0 Ų033.4 Ų33.40%022%0.215CC..EExtended strand (participates in β ladder)trans-91.7127.3175.7-58.4-174.6000108.3E460 Y461 F463 M488 F502 L505 I506 L509 A534L448-E460 CarbonylContact O-C 3.56Å; L448-E460 WeakPolarHBondContact O-CA 3.31Å; L448-Y461 HydrophobicContact CB-CD2 3.91Å; L448-Y461 PolarHBondContact O-N 3.29Å; L448-F463 HydrophobicContact CD1-CE2 4.11Å; L448-F463 HydrophobicContact CD1-CZ 3.86Å; L448-F463 HydrophobicContact CG-CE2 4.29Å; L448-F463 HydrophobicContact CG-CZ 4.42Å; L448-M488 HydrophobicContact CD1-CE 4.43Å; L448-M488 HydrophobicContact CD2-CE 4.5Å; L448-M488 HydrophobicContact CG-CE 4.33Å; L448-F502 HydrophobicContact CD2-CE2 3.96Å; L448-F502 HydrophobicContact CD2-CZ 3.73Å; L448-L505 HydrophobicContact CD1-CD2 4.13Å; L448-I506 HydrophobicContact CD1-CD1 4.31Å; L448-I506 HydrophobicContact CD2-CD1 4.04Å; L448-L509 HydrophobicContact CD1-CD1 3.91Å; L448-A534 HydrophobicContact CD2-CB 3.59Å
449E97.8Very high95.4Very high12 Ų1238.3 Ų38.36%0.05623%0.231CC..EExtended strand (participates in β ladder)trans-122.7140.1-178-67.2171.4-17000109.2I447 W458 Y459 E460 I532 R533 H535I447-E449 HydrophobicContact CG2-CG 4.15Å; E449-W458 HydrophobicContact CB-CB 4.34Å; E449-W458 HydrophobicContact CB-CE3 3.97Å; E449-Y459 CarbonylContact C-O 3.41Å; E449-Y459 VanDerWaalsContact CA-O 3.31Å; E449-Y459 WeakPolarHBondContact CA-O 3.35Å; E449-E460 HydrophobicContact CG-CG 4.03Å; E449-I532 CarbonylContact O-C 3.6Å; E449-I532 VanDerWaalsContact O-CA 3.32Å; E449-I532 WeakPolarHBondContact O-CA 3.14Å; E449-R533 HydrophobicContact CB-CG 3.99Å; E449-R533 PolarHBondContact N-O 2.74Å; E449-R533 PolarHBondContact O-N 3.11Å; E449-R533 IonicContact OE2-CZ 2.64Å; E449-R533 IonicContact OE2-NE 3.38Å; E449-R533 PolarHBondContact OE2-NE 3.11Å; E449-R533 IonicContact OE2-NH2 3.17Å; E449-R533 PolarHBondContact OE2-NH2 2.93Å; E449-H535 IonicContact OE1-ND1 3.21Å; E449-H535 PolarHBondContact OE1-ND1 3.43Å; E449-H535 IonicContact OE2-CE1 3.08Å; E449-H535 IonicContact OE2-ND1 2.66Å; E449-H535 PolarHBondContact OE2-ND1 3.35Å
450A97.9Very high95.7Very high0 Ų040.6 Ų40.60%024%0.238CC..EExtended strand (participates in β ladder)trans-129.3146.2-178.600000111.8W458 Y459 Y461 P526 P529 Y531 I532A450-W458 CarbonylContact O-C 3.47Å; A450-W458 WeakPolarHBondContact O-CA 3.28Å; A450-Y459 PolarHBondContact N-O 3.43Å; A450-Y459 PolarHBondContact O-N 3.39Å; A450-Y461 HydrophobicContact CB-CD2 4.36Å; A450-Y461 HydrophobicContact CB-CE2 3.61Å; A450-P526 HydrophobicContact CB-CB 3.82Å; A450-P526 HydrophobicContact CB-CG 3.76Å; A450-P529 HydrophobicContact CB-CB 3.53Å; A450-P529 HydrophobicContact CB-CG 3.96Å; A450-Y531 CarbonylContact C-O 3.26Å; A450-Y531 VanDerWaalsContact CA-O 3.24Å; A450-Y531 WeakPolarHBondContact CA-O 3.22Å; A450-I532 HydrophobicContact CB-CG1 4.03Å
451A97.6Very high96Very high2 Ų237.2 Ų37.22%0.01722%0.216CC..EExtended strand (participates in β ladder)trans-144155.9177.500000111.4D453 P457 W458 K530 Y531A451-D453 VanDerWaalsContact CB-O 3.26Å; A451-D453 WeakPolarHBondContact CB-O 3.29Å; A451-P457 WeakPolarHBondContact CB-O 3.33Å; A451-W458 HydrophobicContact CB-CD2 3.67Å; A451-W458 HydrophobicContact CB-CE3 3.65Å; A451-W458 HydrophobicContact CB-CG 4.19Å; A451-W458 HydrophobicContact CB-CH2 4.21Å; A451-W458 HydrophobicContact CB-CZ2 4.23Å; A451-W458 HydrophobicContact CB-CZ3 3.93Å; A451-K530 PolarHBondContact O-N 2.89Å; A451-Y531 PolarHBondContact N-O 3.29Å; A451-Y531 PolarHBondContact O-N 3.34Å
452S96Very high96.2Very high74 Ų7435.8 Ų35.852%0.51720%0.202SC..SBendtrans-85.5-23.4172.1-54.70000112.5
453D94.3Very high96.4Very high74 Ų7435.9 Ų35.940%0.39620%0.201SC..SBendtrans-125.5145.1178.5-173.686.4000109.4A451 T455 G456A451-D453 VanDerWaalsContact CB-O 3.26Å; A451-D453 WeakPolarHBondContact CB-O 3.29Å; D453-T455 PolarHBondContact O-N 3.39Å; D453-T455 VanDerWaalsContact O-N 3.17Å; D453-T455 WeakPolarHBondContact OD2-CB 3.3Å; D453-T455 PolarHBondContact OD2-N 2.87Å; D453-T455 PolarHBondContact OD2-OG1 3.38Å; D453-G456 PolarHBondContact O-N 3.44Å
454P92.4Very high96.3Very high65 Ų6536.1 Ų36.142%0.42220%0.202SC..THydrogen-bonded Turntrans-60.5-24.3-179.925.4-36.5000113.7G456 W458 Y531P454-G456 VanDerWaalsContact C-N 3.33Å; P454-W458 WeakPolarHBondContact O-CZ2 3.42Å; P454-Y531 HydrophobicContact CB-CD1 4.41Å; P454-Y531 HydrophobicContact CB-CE1 4.07Å
455T93.5Very high96.3Very high124 Ų12436 Ų3676%0.76120%0.2SC*.THydrogen-bonded Turntrans-83.6-8.4177.7670000113.5D453D453-T455 PolarHBondContact O-N 3.39Å; D453-T455 VanDerWaalsContact O-N 3.17Å; D453-T455 WeakPolarHBondContact OD2-CB 3.3Å; D453-T455 PolarHBondContact OD2-N 2.87Å; D453-T455 PolarHBondContact OD2-OG1 3.38Å
456G93.4Very high96.2Very high12 Ų1236.2 Ų36.212%0.12420%0.201CC..  trans99.1-167.4-175.400000113.1D453 P454D453-G456 PolarHBondContact O-N 3.44Å; P454-G456 VanDerWaalsContact C-N 3.33Å
457P95.7Very high96.1Very high90 Ų9036.8 Ų36.858%0.58421%0.205SC*.  cis-64.9146.31.427.1-34.7000112.8A451 Y459A451-P457 WeakPolarHBondContact CB-O 3.33Å; P457-Y459 HydrophobicContact CB-CE2 4.16Å; P457-Y459 HydrophobicContact CG-CE2 3.82Å; P457-Y459 WeakPolarHBondContact CG-OH 3.33Å
458W96.7Very high95.9Very high54 Ų5437.1 Ų37.121%0.20521%0.21CC..  trans-98.4131.5179.1-67.889.3000110.5E449 A450 A451 P454 R533E449-W458 HydrophobicContact CB-CB 4.34Å; E449-W458 HydrophobicContact CB-CE3 3.97Å; A450-W458 CarbonylContact O-C 3.47Å; A450-W458 WeakPolarHBondContact O-CA 3.28Å; A451-W458 HydrophobicContact CB-CD2 3.67Å; A451-W458 HydrophobicContact CB-CE3 3.65Å; A451-W458 HydrophobicContact CB-CG 4.19Å; A451-W458 HydrophobicContact CB-CH2 4.21Å; A451-W458 HydrophobicContact CB-CZ2 4.23Å; A451-W458 HydrophobicContact CB-CZ3 3.93Å; P454-W458 WeakPolarHBondContact O-CZ2 3.42Å; W458-R533 HydrophobicContact CE3-CG 3.94Å; W458-R533 HydrophobicContact CH2-CB 4.43Å; W458-R533 HydrophobicContact CH2-CG 4.12Å; W458-R533 HydrophobicContact CZ3-CB 4.21Å; W458-R533 HydrophobicContact CZ3-CG 3.66Å
459Y96.7Very high95.8Very high139 Ų13942.3 Ų42.355%0.54523%0.229SC..EExtended strand (participates in β ladder)trans-117.8134.6-179.3-61-81.1000110.9E449 A450 P457E449-Y459 CarbonylContact C-O 3.41Å; E449-Y459 VanDerWaalsContact CA-O 3.31Å; E449-Y459 WeakPolarHBondContact CA-O 3.35Å; A450-Y459 PolarHBondContact N-O 3.43Å; A450-Y459 PolarHBondContact O-N 3.39Å; P457-Y459 HydrophobicContact CB-CE2 4.16Å; P457-Y459 HydrophobicContact CG-CE2 3.82Å; P457-Y459 WeakPolarHBondContact CG-OH 3.33Å
460E96.5Very high95.7Very high60 Ų6043.6 Ų43.628%0.2824%0.238SC..EExtended strand (participates in β ladder)trans-79.3135-179.7-66.3-179.4-154.200112I447 L448 E449 G462 R553I447-E460 HydrophobicContact CG2-CB 4.26Å; I447-E460 VanDerWaalsContact CG2-CD 3.44Å; I447-E460 HydrophobicContact CG2-CG 3.57Å; I447-E460 WeakPolarHBondContact CG2-OE2 3.45Å; L448-E460 CarbonylContact O-C 3.56Å; L448-E460 WeakPolarHBondContact O-CA 3.31Å; E449-E460 HydrophobicContact CG-CG 4.03Å; E460-G462 PolarHBondContact O-N 3.18Å; E460-R553 IonicContact OE1-CZ 2.75Å; E460-R553 VanDerWaalsContact OE1-CZ 3.29Å; E460-R553 IonicContact OE1-NH1 2.69Å; E460-R553 PolarHBondContact OE1-NH1 2.87Å; E460-R553 VanDerWaalsContact OE1-NH1 3.09Å; E460-R553 IonicContact OE1-NH2 3.82Å; E460-R553 PolarHBondContact OE1-NH2 3.42Å; E460-R553 IonicContact OE2-CZ 3.87Å; E460-R553 IonicContact OE2-NH1 2.59Å; E460-R553 PolarHBondContact OE2-NH1 2.86Å; E460-R553 IonicContact OE2-NH2 3.49Å
461Y97.2Very high95.5Very high7 Ų748 Ų483%0.02726%0.261CS..PPolyproline II helixtrans-73.8116.4161-73.2-83.7000109.6L448 A450 L509 L517 L520 L525 P526 P529 I532L448-Y461 HydrophobicContact CB-CD2 3.91Å; L448-Y461 PolarHBondContact O-N 3.29Å; A450-Y461 HydrophobicContact CB-CD2 4.36Å; A450-Y461 HydrophobicContact CB-CE2 3.61Å; Y461-L509 HydrophobicContact CD1-CD2 4.38Å; Y461-L509 HydrophobicContact CD2-CD1 4.32Å; Y461-L509 HydrophobicContact CE1-CD1 4.44Å; Y461-L509 HydrophobicContact CE1-CD2 3.93Å; Y461-L509 HydrophobicContact CE2-CB 4.46Å; Y461-L509 HydrophobicContact CE2-CD1 4.12Å; Y461-L517 HydrophobicContact CE1-CD2 4.09Å; Y461-L520 HydrophobicContact CD1-CD1 3.71Å; Y461-L520 HydrophobicContact CE1-CD1 4.39Å; Y461-L520 HydrophobicContact CG-CD1 4.3Å; Y461-L525 HydrophobicContact CD1-CD2 4.09Å; Y461-L525 HydrophobicContact CE1-CD2 4.43Å; Y461-P526 HydrophobicContact CD1-CG 4.28Å; Y461-P526 HydrophobicContact CD2-CG 4.34Å; Y461-P526 VanDerWaalsContact CE1-CD 3.48Å; Y461-P526 HydrophobicContact CE1-CG 4.1Å; Y461-P526 HydrophobicContact CE2-CG 4.17Å; Y461-P526 HydrophobicContact CG-CG 4.39Å; Y461-P529 WeakPolarHBondContact OH-CG 3.21Å; Y461-I532 HydrophobicContact CE2-CD1 3.81Å; Y461-I532 HydrophobicContact CE2-CG1 4.27Å
462G95.7Very high95.3Very high12 Ų1251 Ų5112%0.12427%0.272CS..PPolyproline II helixtrans-78.1141168.500000111.6E460 L520 D521 S524E460-G462 PolarHBondContact O-N 3.18Å; G462-L520 WeakPolarHBondContact O-CB 3.37Å; G462-D521 WeakPolarHBondContact O-CB 3.32Å; G462-D521 PolarHBondContact O-N 3.41Å; G462-S524 WeakPolarHBondContact CA-OG 3.33Å; G462-S524 PolarHBondContact N-OG 3.39Å; G462-S524 VanDerWaalsContact N-OG 3.07Å
463F96.8Very high95.3Very high7 Ų750.7 Ų50.73%0.03127%0.267CS..BIsolated β-bridgetrans-101.6155.1173.1-75.9-107.9000110.3L448 F465 K466 R472 L484 M488 L520L448-F463 HydrophobicContact CD1-CE2 4.11Å; L448-F463 HydrophobicContact CD1-CZ 3.86Å; L448-F463 HydrophobicContact CG-CE2 4.29Å; L448-F463 HydrophobicContact CG-CZ 4.42Å; F463-F465 PolarHBondContact O-N 2.75Å; F463-K466 HydrophobicContact CB-CD 4.03Å; F463-K466 HydrophobicContact CB-CG 3.51Å; F463-K466 HydrophobicContact CD1-CD 4.09Å; F463-K466 HydrophobicContact CD1-CG 4.39Å; F463-K466 HydrophobicContact CD2-CD 4.28Å; F463-K466 HydrophobicContact CG-CD 3.88Å; F463-K466 HydrophobicContact CG-CG 3.95Å; F463-R472 PolarHBondContact O-NH1 3.11Å; F463-L484 HydrophobicContact CE1-CD2 4.06Å; F463-L484 HydrophobicContact CE1-CG 4.09Å; F463-M488 HydrophobicContact CD1-CG 4.27Å; F463-M488 HydrophobicContact CE1-CE 4.35Å; F463-M488 HydrophobicContact CE1-CG 3.51Å; F463-M488 HydrophobicContact CE1-SD 4.14Å; F463-M488 HydrophobicContact CE2-CE 4.25Å; F463-M488 HydrophobicContact CZ-CE 3.7Å; F463-M488 HydrophobicContact CZ-CG 3.86Å; F463-M488 HydrophobicContact CZ-SD 3.94Å; F463-L520 HydrophobicContact CD1-CD2 3.48Å; F463-L520 VanDerWaalsContact CD1-CD2 3.48Å; F463-L520 HydrophobicContact CD2-CD2 4.25Å; F463-L520 HydrophobicContact CE1-CD2 3.45Å; F463-L520 VanDerWaalsContact CE1-CD2 3.45Å; F463-L520 HydrophobicContact CE2-CD2 4.26Å; F463-L520 HydrophobicContact CG-CD2 3.9Å; F463-L520 HydrophobicContact CZ-CD2 3.88Å
464N95.3Very high95.3Very high5 Ų547.6 Ų47.63%0.02725%0.251CS..SBendtrans-68.3-32.1-172.7-82.5-47.7000113.5R472 L519 L520 D521 R608N464-R472 PolarHBondContact O-NH1 3.11Å; N464-R472 PolarHBondContact O-NH2 3.49Å; N464-L519 VanDerWaalsContact ND2-C 3.26Å; N464-L519 PolarHBondContact ND2-O 3.34Å; N464-L520 PolarHBondContact ND2-O 3.44Å; N464-L520 PolarHBondContact OD1-O 3.07Å; N464-D521 WeakPolarHBondContact OD1-CA 3.28Å; N464-R608 WeakPolarHBondContact OD1-CD 3.23Å
465F96.6Very high95.5Very high14 Ų1445.7 Ų45.76%0.06124%0.239CC..SBendtrans-138.6-32-170.9-52.2-71.4000115.7I202 F463 P475 V477 H480 P482 D485 R608 D609I202-F465 HydrophobicContact CD1-CB 4.02Å; I202-F465 HydrophobicContact CG2-CB 4.36Å; F463-F465 PolarHBondContact O-N 2.75Å; F465-P475 HydrophobicContact CB-CG 4.12Å; F465-P475 HydrophobicContact CD1-CB 4.41Å; F465-P475 HydrophobicContact CD1-CG 4.22Å; F465-P475 WeakPolarHBondContact O-CG 3.22Å; F465-V477 HydrophobicContact CB-CG1 4.38Å; F465-V477 HydrophobicContact CD1-CB 4.33Å; F465-V477 HydrophobicContact CD1-CG1 3.19Å; F465-V477 HydrophobicContact CE1-CB 4.49Å; F465-V477 HydrophobicContact CE1-CG1 3.56Å; F465-V477 HydrophobicContact CG-CG1 3.92Å; F465-H480 AromaticContact CE2-CD2 3.86Å; F465-H480 AromaticContact CE2-NE2 3.87Å; F465-P482 HydrophobicContact CB-CB 4.41Å; F465-P482 HydrophobicContact CB-CG 4.04Å; F465-P482 HydrophobicContact CD2-CB 3.41Å; F465-P482 VanDerWaalsContact CD2-CB 3.41Å; F465-P482 HydrophobicContact CD2-CG 3.28Å; F465-P482 HydrophobicContact CE2-CB 4Å; F465-P482 HydrophobicContact CE2-CG 3.81Å; F465-P482 HydrophobicContact CG-CB 4.24Å; F465-P482 HydrophobicContact CG-CG 3.76Å; F465-D485 WeakPolarHBondContact CA-OD1 3.21Å; F465-D485 PolarHBondContact N-OD1 3.39Å; F465-R608 WeakPolarHBondContact CE2-O 3.46Å; F465-R608 HydrophobicContact CZ-CB 4.44Å; F465-R608 VanDerWaalsContact CZ-O 3.26Å; F465-R608 WeakPolarHBondContact CZ-O 3.39Å; F465-D609 HydrophobicContact CE1-CB 4.36Å; F465-D609 HydrophobicContact CZ-CB 3.91Å
466K96.8Very high95.6Very high5 Ų544.6 Ų44.62%0.02223%0.232CC..SBendtrans-63.8155.1173.966.5171.8-152.771.30110.9E445 L446 F463 D485 M488E445-K466 WeakPolarHBondContact OE1-CD 3.36Å; E445-K466 WeakPolarHBondContact OE1-CE 3.28Å; E445-K466 IonicContact OE1-NZ 3.01Å; E445-K466 PolarHBondContact OE1-NZ 2.66Å; L446-K466 PolarHBondContact O-NZ 3.05Å; L446-K466 VanDerWaalsContact O-NZ 3.11Å; F463-K466 HydrophobicContact CB-CD 4.03Å; F463-K466 HydrophobicContact CB-CG 3.51Å; F463-K466 HydrophobicContact CD1-CD 4.09Å; F463-K466 HydrophobicContact CD1-CG 4.39Å; F463-K466 HydrophobicContact CD2-CD 4.28Å; F463-K466 HydrophobicContact CG-CD 3.88Å; F463-K466 HydrophobicContact CG-CG 3.95Å; K466-D485 HydrophobicContact CB-CB 4.01Å; K466-D485 HydrophobicContact CG-CB 4.32Å; K466-D485 PolarHBondContact N-OD1 3.14Å; K466-M488 HydrophobicContact CD-CB 3.84Å; K466-M488 HydrophobicContact CD-CG 4.43Å
467P95.8Very high95.7Very high11 Ų1144.6 Ų44.67%0.07123%0.229CC..SBendtrans-51.2145.4167.7-28.138.3000112.9R443 Y539 W551R443-P467 VanDerWaalsContact NH2-CD 3.33Å; P467-Y539 HydrophobicContact CB-CD1 4.4Å; P467-W551 HydrophobicContact CB-CZ2 4.07Å; P467-W551 HydrophobicContact CG-CH2 4.15Å; P467-W551 HydrophobicContact CG-CZ2 3.61Å
468G93.9Very high95.6Very high13 Ų1342.2 Ų42.213%0.13421%0.211CC..  trans-165.6-93.1-178.400000108.8V470 Y539G468-V470 PolarHBondContact O-N 2.8Å; G468-Y539 VanDerWaalsContact O-CE1 3.3Å; G468-Y539 WeakPolarHBondContact O-CE1 3.13Å; G468-Y539 PolarHBondContact O-OH 3.31Å
469R94.6Very high95.6Very high108 Ų10840 Ų4041%0.40820%0.204SC..SBendtrans-56.4129.6173.1-67.5-175-80.5173.1-9.3111.4N471 R472 D521 S523R469-N471 VanDerWaalsContact C-N 3.33Å; R469-N471 PolarHBondContact O-N 3.15Å; R469-R472 HydrophobicContact CB-CB 4.01Å; R469-R472 WeakPolarHBondContact O-CB 3.1Å; R469-R472 PolarHBondContact O-N 2.93Å; R469-D521 IonicContact CZ-OD2 3.78Å; R469-D521 IonicContact NH2-OD2 2.72Å; R469-D521 PolarHBondContact NH2-OD2 2.73Å; R469-S523 PolarHBondContact NH2-OG 2.77Å
470V95.8Very high95.6Very high39 Ų3933.6 Ų33.624%0.23618%0.179CC..THydrogen-bonded Turntrans-67.8-31.4-174.7-70.20000113.8G468 R472 D549 W550 W551 R553G468-V470 PolarHBondContact O-N 2.8Å; V470-R472 VanDerWaalsContact C-N 3.3Å; V470-R472 PolarHBondContact O-N 2.86Å; V470-D549 HydrophobicContact CB-CB 4.43Å; V470-W550 PolarHBondContact O-N 2.9Å; V470-W551 HydrophobicContact CB-CB 4.43Å; V470-W551 VanDerWaalsContact CB-O 3.26Å; V470-W551 WeakPolarHBondContact CB-O 3.31Å; V470-W551 HydrophobicContact CG1-CB 4.32Å; V470-W551 WeakPolarHBondContact CG1-O 3.29Å; V470-W551 PolarHBondContact O-N 3.42Å; V470-W551 VanDerWaalsContact O-N 3.13Å; V470-R553 HydrophobicContact CG1-CB 4.5Å; V470-R553 HydrophobicContact CG1-CG 4.08Å
471N94.5Very high95.6Very high92 Ų9230.7 Ų30.749%0.49217%0.165SC..THydrogen-bonded Turntrans-82.3-3.5177.464.8-5000114.1R469 D549R469-N471 VanDerWaalsContact C-N 3.33Å; R469-N471 PolarHBondContact O-N 3.15Å; N471-D549 WeakPolarHBondContact CA-OD1 3.3Å; N471-D549 VanDerWaalsContact CB-OD1 3.26Å; N471-D549 WeakPolarHBondContact CB-OD1 3.11Å; N471-D549 PolarHBondContact N-OD1 3.31Å
472R93.9Very high95.6Very high66 Ų6630.4 Ų30.425%0.24916%0.164CC..PPolyproline II helixtrans-84.9122.3-176-174.7-178.8178.7-174.32.4110.7F463 N464 R469 V470F463-R472 PolarHBondContact O-NH1 3.11Å; N464-R472 PolarHBondContact O-NH1 3.11Å; N464-R472 PolarHBondContact O-NH2 3.49Å; R469-R472 HydrophobicContact CB-CB 4.01Å; R469-R472 WeakPolarHBondContact O-CB 3.1Å; R469-R472 PolarHBondContact O-N 2.93Å; V470-R472 VanDerWaalsContact C-N 3.3Å; V470-R472 PolarHBondContact O-N 2.86Å
473T94.3Very high95.7Very high68 Ų6829.9 Ų29.942%0.41716%0.158SC..PPolyproline II helixtrans-57.5130.5169.7-50.80000110.9P205 W550P205-T473 HydrophobicContact CB-CG2 4.27Å; P205-T473 HydrophobicContact CG-CG2 3.85Å; T473-W550 HydrophobicContact CG2-CD2 4.46Å; T473-W550 HydrophobicContact CG2-CH2 4.11Å; T473-W550 HydrophobicContact CG2-CZ2 3.61Å; T473-W550 PolarHBondContact OG1-NE1 3.34Å
474P96.2Very high95.7Very high8 Ų829.6 Ų29.65%0.05216%0.157CC..PPolyproline II helixtrans-56.3138.9172.9-22.832.1000111.6P203 P205 F541 W550 W551P203-P474 HydrophobicContact CG-CB 4.29Å; P203-P474 WeakPolarHBondContact O-CB 3.35Å; P205-P474 WeakPolarHBondContact CD-O 3.47Å; P205-P474 WeakPolarHBondContact CG-O 3.41Å; P474-F541 HydrophobicContact CG-CE1 4.41Å; P474-W550 HydrophobicContact CG-CE3 4.38Å; P474-W551 HydrophobicContact CG-CZ2 4.49Å
475P96Very high95.8Very high25 Ų2529.5 Ų29.516%0.16216%0.157CC..PPolyproline II helixtrans-86.7163.7-171.435.8-37.3000113.2I202 N263 F465 V477I202-P475 HydrophobicContact CG2-CG 3.97Å; N263-P475 PolarHBondContact ND2-O 3.33Å; F465-P475 HydrophobicContact CB-CG 4.12Å; F465-P475 HydrophobicContact CD1-CB 4.41Å; F465-P475 HydrophobicContact CD1-CG 4.22Å; F465-P475 WeakPolarHBondContact O-CG 3.22Å; P475-V477 HydrophobicContact CB-CG1 3.8Å; P475-V477 HydrophobicContact CG-CG1 3.92Å
476V96.1Very high95.8Very high102 Ų10229.1 Ų29.162%0.61816%0.155SC*.  trans-109.7113163.6179.80000107.4T204 I478T204-V476 HydrophobicContact CG2-CG2 4.35Å; V476-I478 HydrophobicContact CG1-CG2 4.05Å
477V94.5Very high95.8Very high11 Ų1129.2 Ų29.27%0.06716%0.155CC..  trans-123.9-3.9-170.7-54.60000113.5N263 F465 P475 H480 P482N263-V477 HydrophobicContact CB-CG2 3.56Å; N263-V477 WeakPolarHBondContact OD1-CG2 2.98Å; N263-V477 PolarHBondContact OD1-N 2.86Å; F465-V477 HydrophobicContact CB-CG1 4.38Å; F465-V477 HydrophobicContact CD1-CB 4.33Å; F465-V477 HydrophobicContact CD1-CG1 3.19Å; F465-V477 HydrophobicContact CE1-CB 4.49Å; F465-V477 HydrophobicContact CE1-CG1 3.56Å; F465-V477 HydrophobicContact CG-CG1 3.92Å; P475-V477 HydrophobicContact CB-CG1 3.8Å; P475-V477 HydrophobicContact CG-CG1 3.92Å; V477-H480 WeakPolarHBondContact O-CA 3.48Å; V477-H480 WeakPolarHBondContact O-CB 3.19Å; V477-H480 PolarHBondContact O-N 3.44Å; V477-P482 HydrophobicContact CG2-CG 4.32Å
478I93.8Very high95.9Very high41 Ų4128.7 Ų28.721%0.2115%0.152CC..THydrogen-bonded Turntrans-51.8131.3176.4-173.6167.6000110.8I259 N263 N265 L269 V476I259-I478 HydrophobicContact CB-CD1 4.32Å; I259-I478 HydrophobicContact CD1-CD1 4.05Å; I259-I478 HydrophobicContact CG1-CD1 3.8Å; I259-I478 HydrophobicContact CG2-CD1 3.63Å; N263-I478 PolarHBondContact OD1-N 3.33Å; N265-I478 WeakPolarHBondContact O-CG1 3.39Å; L269-I478 HydrophobicContact CD1-CD1 4.27Å; L269-I478 HydrophobicContact CD1-CG1 4.27Å; L269-I478 HydrophobicContact CD2-CD1 4.35Å; L269-I478 HydrophobicContact CG-CD1 4.14Å; V476-I478 HydrophobicContact CG1-CG2 4.05Å
479P95.8Very high96Very high7 Ų728.5 Ų28.55%0.04515%0.147CC..THydrogen-bonded Turncis-99.514.6638.3-31.4000115F23 N265 L269 L610F23-P479 HydrophobicContact CB-CB 3.99Å; F23-P479 HydrophobicContact CB-CG 3.71Å; F23-P479 HydrophobicContact CD1-CG 3.65Å; F23-P479 HydrophobicContact CD2-CB 3.73Å; F23-P479 HydrophobicContact CD2-CG 3.3Å; F23-P479 HydrophobicContact CE1-CG 4.04Å; F23-P479 HydrophobicContact CE2-CB 4.39Å; F23-P479 HydrophobicContact CE2-CG 3.72Å; F23-P479 HydrophobicContact CG-CB 3.93Å; F23-P479 HydrophobicContact CG-CG 3.26Å; F23-P479 HydrophobicContact CZ-CG 4.07Å; N265-P479 CarbonylContact C-O 3.5Å; N265-P479 WeakPolarHBondContact O-CA 3.44Å; L269-P479 HydrophobicContact CD1-CB 3.92Å; P479-L610 HydrophobicContact CG-CD1 4.49Å
480H97.5Very high96.1Very high4 Ų426.9 Ų26.92%0.01914%0.144CC..  trans-63.2144.3176.4-178.552000110.8S27 Q31 F465 V477 P482 R608 L610S27-H480 PolarHBondContact OG-CE1 3.33Å; S27-H480 VanDerWaalsContact OG-CE1 3.32Å; S27-H480 PolarHBondContact OG-ND1 3.06Å; Q31-H480 PolarHBondContact NE2-CE1 2.71Å; F465-H480 AromaticContact CE2-CD2 3.86Å; F465-H480 AromaticContact CE2-NE2 3.87Å; V477-H480 WeakPolarHBondContact O-CA 3.48Å; V477-H480 WeakPolarHBondContact O-CB 3.19Å; V477-H480 PolarHBondContact O-N 3.44Å; H480-P482 WeakPolarHBondContact O-CD 3.37Å; H480-R608 PolarHBondContact NE2-O 3.42Å; H480-L610 HydrophobicContact CB-CB 4.41Å; H480-L610 HydrophobicContact CB-CD1 4.14Å; H480-L610 HydrophobicContact CB-CG 3.96Å
481Q96.4Very high96.1Very high0 Ų025 Ų250%013%0.132CC..  trans-114.799.9174-172.9178.6-19.100110.4S27 Q31 F125 W127 N265 R483S27-Q481 PolarHBondContact OG-N 2.89Å; S27-Q481 PolarHBondContact OG-O 2.97Å; Q31-Q481 PolarHBondContact NE2-O 3.42Å; F125-Q481 VanDerWaalsContact CE2-NE2 3.3Å; W127-Q481 VanDerWaalsContact CE2-NE2 3.32Å; W127-Q481 HydrophobicContact CZ2-CG 4.39Å; N265-Q481 HydrophobicContact CB-CB 3.56Å; N265-Q481 HydrophobicContact CB-CG 3.86Å; Q481-R483 HydrophobicContact CG-CG 4.09Å; Q481-R483 PolarHBondContact O-N 3.46Å; Q481-R483 VanDerWaalsContact OE1-NH2 3.08Å
482P97.2Very high96.2Very high1 Ų120.9 Ų20.91%0.00611%0.111CC..  trans-7494174.4-14.929.9000111I202 F465 V477 H480 L484 D485 W486I202-P482 HydrophobicContact CD1-CB 4.21Å; I202-P482 HydrophobicContact CD1-CG 3.79Å; F465-P482 HydrophobicContact CB-CB 4.41Å; F465-P482 HydrophobicContact CB-CG 4.04Å; F465-P482 HydrophobicContact CD2-CB 3.41Å; F465-P482 VanDerWaalsContact CD2-CB 3.41Å; F465-P482 HydrophobicContact CD2-CG 3.28Å; F465-P482 HydrophobicContact CE2-CB 4Å; F465-P482 HydrophobicContact CE2-CG 3.81Å; F465-P482 HydrophobicContact CG-CB 4.24Å; F465-P482 HydrophobicContact CG-CG 3.76Å; V477-P482 HydrophobicContact CG2-CG 4.32Å; H480-P482 WeakPolarHBondContact O-CD 3.37Å; P482-L484 PolarHBondContact O-N 2.68Å; P482-D485 HydrophobicContact CB-CB 3.94Å; P482-D485 WeakPolarHBondContact CB-OD2 3.35Å; P482-W486 WeakPolarHBondContact O-CB 3.22Å; P482-W486 PolarHBondContact O-N 3.38Å; P482-W486 VanDerWaalsContact O-N 3.07Å
483R97.4Very high96.2Very high0 Ų020.7 Ų20.70%011%0.114CC..Hα-helixtrans-69.7-36.1-168.9-70.2171.8-179-64.4-6.7111.4L35 F122 L123 F125 D128 Q481 Q487L35-R483 HydrophobicContact CD1-CB 4.07Å; F122-R483 HydrophobicContact CB-CB 4.24Å; F122-R483 HydrophobicContact CD1-CB 3.99Å; F122-R483 WeakPolarHBondContact O-CD 3.35Å; F122-R483 PolarHBondContact O-NH1 2.9Å; L123-R483 VanDerWaalsContact CD2-NH2 3.33Å; F125-R483 HydrophobicContact CE2-CG 4.28Å; D128-R483 IonicContact OD1-CZ 3.24Å; D128-R483 IonicContact OD1-NH1 2.66Å; D128-R483 IonicContact OD1-NH2 3.13Å; D128-R483 PolarHBondContact OD1-NH2 3.49Å; D128-R483 IonicContact OD2-CZ 3.99Å; D128-R483 IonicContact OD2-NH1 2.76Å; D128-R483 PolarHBondContact OD2-NH1 3.44Å; D128-R483 IonicContact OD2-NH2 2.72Å; Q481-R483 HydrophobicContact CG-CG 4.09Å; Q481-R483 PolarHBondContact O-N 3.46Å; Q481-R483 VanDerWaalsContact OE1-NH2 3.08Å; R483-Q487 WeakPolarHBondContact O-CB 3.45Å; R483-Q487 VanDerWaalsContact O-CG 3.32Å; R483-Q487 WeakPolarHBondContact O-CG 3.48Å; R483-Q487 PolarHBondContact O-N 3.24Å
484L97.7Very high96.2Very high1 Ų120.4 Ų20.41%0.00511%0.113CC..Hα-helixtrans-66.4-50176.3-17660.6000111.9F122 F463 P482 W486 Q487 M488 W501 L505 L519 L520F122-L484 HydrophobicContact CE1-CD1 4.04Å; F122-L484 HydrophobicContact CZ-CD1 4.19Å; F463-L484 HydrophobicContact CE1-CD2 4.06Å; F463-L484 HydrophobicContact CE1-CG 4.09Å; P482-L484 PolarHBondContact O-N 2.68Å; L484-W486 VanDerWaalsContact C-N 3.28Å; L484-W486 PolarHBondContact O-N 3.37Å; L484-Q487 PolarHBondContact O-N 2.9Å; L484-Q487 VanDerWaalsContact O-N 3.12Å; L484-M488 WeakPolarHBondContact O-CG 3.31Å; L484-M488 PolarHBondContact O-N 3Å; L484-W501 HydrophobicContact CD1-CE3 4.44Å; L484-W501 HydrophobicContact CD1-CZ3 3.86Å; L484-L505 HydrophobicContact CD1-CD2 4.23Å; L484-L505 HydrophobicContact CD2-CD1 4.46Å; L484-L519 HydrophobicContact CD2-CB 3.82Å; L484-L519 HydrophobicContact CD2-CD1 4.02Å; L484-L520 HydrophobicContact CD2-CD2 3.95Å
485D97.7Very high96.1Very high4 Ų423.4 Ų23.42%0.02113%0.128CC..Hα-helixtrans-57.8-40.8177.2-59.2-116.9000112I202 F465 K466 P482 M488 W489I202-D485 HydrophobicContact CD1-CB 4.24Å; F465-D485 WeakPolarHBondContact CA-OD1 3.21Å; F465-D485 PolarHBondContact N-OD1 3.39Å; K466-D485 HydrophobicContact CB-CB 4.01Å; K466-D485 HydrophobicContact CG-CB 4.32Å; K466-D485 PolarHBondContact N-OD1 3.14Å; P482-D485 HydrophobicContact CB-CB 3.94Å; P482-D485 WeakPolarHBondContact CB-OD2 3.35Å; D485-M488 PolarHBondContact O-N 3.23Å; D485-W489 PolarHBondContact O-N 2.92Å; D485-W489 VanDerWaalsContact O-N 3.1Å
486W96.6Very high95.9Very high6 Ų623.2 Ų23.22%0.02312%0.124CC..Hα-helixtrans-64.3-43.2174.8-89.780.9000112.9F125 W127 C201 N263 Y264 P482 L484 M488 W489 F490F125-W486 HydrophobicContact CE1-CB 3.87Å; F125-W486 HydrophobicContact CE1-CD2 4.41Å; F125-W486 HydrophobicContact CE1-CE3 4.13Å; F125-W486 HydrophobicContact CE1-CG 4.37Å; F125-W486 HydrophobicContact CZ-CB 3.83Å; W127-W486 AromaticContact CH2-CD2 3.97Å; W127-W486 HydrophobicContact CH2-CD2 3.97Å; W127-W486 AromaticContact CH2-CE3 3.67Å; W127-W486 HydrophobicContact CH2-CE3 3.67Å; W127-W486 AromaticContact CH2-CH2 3.59Å; W127-W486 HydrophobicContact CH2-CH2 3.59Å; W127-W486 AromaticContact CH2-CZ2 3.9Å; W127-W486 HydrophobicContact CH2-CZ2 3.9Å; W127-W486 AromaticContact CH2-CZ3 3.48Å; W127-W486 HydrophobicContact CH2-CZ3 3.48Å; W127-W486 VanDerWaalsContact CH2-CZ3 3.48Å; W127-W486 HydrophobicContact CZ2-CD2 4.42Å; W127-W486 HydrophobicContact CZ2-CE3 4.45Å; W127-W486 AromaticContact CZ3-CH2 3.85Å; W127-W486 HydrophobicContact CZ3-CH2 3.85Å; W127-W486 HydrophobicContact CZ3-CZ2 4.37Å; W127-W486 AromaticContact CZ3-CZ3 3.99Å; W127-W486 HydrophobicContact CZ3-CZ3 3.99Å; C201-W486 HydrophobicContact CB-CD2 3.84Å; C201-W486 HydrophobicContact CB-CE3 3.78Å; C201-W486 HydrophobicContact CB-CH2 3.84Å; C201-W486 HydrophobicContact CB-CZ2 3.87Å; C201-W486 HydrophobicContact CB-CZ3 3.78Å; C201-W486 VanDerWaalsContact SG-CA 3.55Å; C201-W486 VanDerWaalsContact SG-CG 3.56Å; N263-W486 WeakPolarHBondContact O-CZ2 3.33Å; Y264-W486 AromaticContact CD1-CH2 3.7Å; Y264-W486 HydrophobicContact CD1-CH2 3.7Å; Y264-W486 HydrophobicContact CD1-CZ2 4.03Å; Y264-W486 HydrophobicContact CE1-CH2 4.03Å; P482-W486 WeakPolarHBondContact O-CB 3.22Å; P482-W486 PolarHBondContact O-N 3.38Å; P482-W486 VanDerWaalsContact O-N 3.07Å; L484-W486 VanDerWaalsContact C-N 3.28Å; L484-W486 PolarHBondContact O-N 3.37Å; W486-M488 VanDerWaalsContact C-N 3.34Å; W486-W489 WeakPolarHBondContact O-CB 3.47Å; W486-W489 PolarHBondContact O-N 2.9Å; W486-F490 HydrophobicContact CE3-CE2 4.06Å; W486-F490 WeakPolarHBondContact O-CD2 3.38Å; W486-F490 PolarHBondContact O-N 3.08Å
487Q97.1Very high95.6Very high6 Ų627.5 Ų27.53%0.02813%0.129CC..Hα-helixtrans-67.4-35.3176.5-73.8-62.4-31.300112T121 F122 F125 R483 L484 W489 F490 A491 W501T121-Q487 HydrophobicContact CG2-CG 4.4Å; T121-Q487 PolarHBondContact O-NE2 3.46Å; T121-Q487 PolarHBondContact OG1-NE2 3.48Å; T121-Q487 PolarHBondContact OG1-OE1 3.31Å; T121-Q487 VanDerWaalsContact OG1-OE1 3.12Å; F122-Q487 HydrophobicContact CD1-CB 4.23Å; F122-Q487 HydrophobicContact CD1-CG 3.51Å; F122-Q487 HydrophobicContact CE1-CB 3.82Å; F122-Q487 HydrophobicContact CE1-CG 3.6Å; F122-Q487 HydrophobicContact CG-CG 4.49Å; F125-Q487 HydrophobicContact CZ-CG 4.28Å; R483-Q487 WeakPolarHBondContact O-CB 3.45Å; R483-Q487 VanDerWaalsContact O-CG 3.32Å; R483-Q487 WeakPolarHBondContact O-CG 3.48Å; R483-Q487 PolarHBondContact O-N 3.24Å; L484-Q487 PolarHBondContact O-N 2.9Å; L484-Q487 VanDerWaalsContact O-N 3.12Å; Q487-W489 VanDerWaalsContact C-N 3.3Å; Q487-W489 PolarHBondContact O-N 3.31Å; Q487-F490 PolarHBondContact O-N 3.23Å; Q487-F490 VanDerWaalsContact O-N 3.16Å; Q487-A491 PolarHBondContact O-N 2.78Å; Q487-W501 HydrophobicContact CB-CH2 3.74Å; Q487-W501 HydrophobicContact CB-CZ2 3.52Å; Q487-W501 HydrophobicContact CB-CZ3 4.37Å; Q487-W501 VanDerWaalsContact O-CZ2 3.31Å; Q487-W501 WeakPolarHBondContact O-CZ2 3.33Å
488M97.8Very high95.6Very high0 Ų032.3 Ų32.30%016%0.155CC..Hα-helixtrans-60.9-37.9171.8-71.9-64.4-62.400112.5L446 L448 F463 K466 L484 D485 W486 A491 A492 W501 F502 L505L446-M488 HydrophobicContact CB-CE 3.78Å; L446-M488 HydrophobicContact CD1-CE 4.17Å; L448-M488 HydrophobicContact CD1-CE 4.43Å; L448-M488 HydrophobicContact CD2-CE 4.5Å; L448-M488 HydrophobicContact CG-CE 4.33Å; F463-M488 HydrophobicContact CD1-CG 4.27Å; F463-M488 HydrophobicContact CE1-CE 4.35Å; F463-M488 HydrophobicContact CE1-CG 3.51Å; F463-M488 HydrophobicContact CE1-SD 4.14Å; F463-M488 HydrophobicContact CE2-CE 4.25Å; F463-M488 HydrophobicContact CZ-CE 3.7Å; F463-M488 HydrophobicContact CZ-CG 3.86Å; F463-M488 HydrophobicContact CZ-SD 3.94Å; K466-M488 HydrophobicContact CD-CB 3.84Å; K466-M488 HydrophobicContact CD-CG 4.43Å; L484-M488 WeakPolarHBondContact O-CG 3.31Å; L484-M488 PolarHBondContact O-N 3Å; D485-M488 PolarHBondContact O-N 3.23Å; W486-M488 VanDerWaalsContact C-N 3.34Å; M488-A491 PolarHBondContact O-N 3Å; M488-A492 PolarHBondContact O-N 3.38Å; M488-W501 HydrophobicContact CG-CH2 4.19Å; M488-W501 HydrophobicContact SD-CH2 3.72Å; M488-W501 HydrophobicContact SD-CZ3 4.01Å; M488-F502 HydrophobicContact CE-CE2 4.06Å; M488-F502 HydrophobicContact SD-CD2 4.13Å; M488-F502 HydrophobicContact SD-CE2 4.05Å; M488-L505 HydrophobicContact SD-CD2 4.07Å
489W96.3Very high95.6Very high10 Ų1031.5 Ų31.54%0.03815%0.15CC..Hα-helixtrans-62.7-42.2173.2179.982.6000112.1S199 C201 T438 D485 W486 Q487 A492 L493S199-W489 PolarHBondContact O-NE1 2.95Å; C201-W489 HydrophobicContact CB-CB 4.31Å; C201-W489 HydrophobicContact CB-CD2 4.05Å; C201-W489 HydrophobicContact CB-CG 3.94Å; C201-W489 WeakPolarHBondContact SG-CB 3.28Å; T438-W489 HydrophobicContact CG2-CH2 4.41Å; T438-W489 WeakPolarHBondContact OG1-CH2 3.35Å; T438-W489 WeakPolarHBondContact OG1-CZ2 3.08Å; D485-W489 PolarHBondContact O-N 2.92Å; D485-W489 VanDerWaalsContact O-N 3.1Å; W486-W489 WeakPolarHBondContact O-CB 3.47Å; W486-W489 PolarHBondContact O-N 2.9Å; Q487-W489 VanDerWaalsContact C-N 3.3Å; Q487-W489 PolarHBondContact O-N 3.31Å; W489-A492 PolarHBondContact O-N 2.85Å; W489-L493 HydrophobicContact CE3-CD1 4.21Å; W489-L493 HydrophobicContact CH2-CD1 4.03Å; W489-L493 HydrophobicContact CZ2-CD1 4.42Å; W489-L493 HydrophobicContact CZ3-CD1 3.91Å
490F95Very high95.5Very high74 Ų7434.3 Ų34.333%0.32517%0.168SC..Hα-helixtrans-65.5-40.4173.6-75.5-70.9000112.5F125 W486 Q487 A492 L493F125-F490 HydrophobicContact CD1-CE2 4.33Å; F125-F490 HydrophobicContact CE1-CD2 4.46Å; F125-F490 AromaticContact CE1-CE2 3.83Å; F125-F490 HydrophobicContact CE1-CE2 3.83Å; W486-F490 HydrophobicContact CE3-CE2 4.06Å; W486-F490 WeakPolarHBondContact O-CD2 3.38Å; W486-F490 PolarHBondContact O-N 3.08Å; Q487-F490 PolarHBondContact O-N 3.23Å; Q487-F490 VanDerWaalsContact O-N 3.16Å; F490-A492 VanDerWaalsContact C-N 3.28Å; F490-A492 PolarHBondContact O-N 3.41Å; F490-L493 HydrophobicContact CD1-CD1 4.46Å; F490-L493 WeakPolarHBondContact O-CB 3.25Å; F490-L493 PolarHBondContact O-N 3.34Å; F490-L493 VanDerWaalsContact O-N 3.16Å
491A96.7Very high95.5Very high0 Ų034.6 Ų34.60%017%0.169CC..Hα-helixtrans-59.9-38.7176.300000111.8L446 Q487 M488 L493 T494 W501 Y559L446-A491 HydrophobicContact CD1-CB 3.75Å; Q487-A491 PolarHBondContact O-N 2.78Å; M488-A491 PolarHBondContact O-N 3Å; A491-L493 PolarHBondContact O-N 3.15Å; A491-L493 VanDerWaalsContact O-N 3.12Å; A491-T494 PolarHBondContact O-N 3.49Å; A491-W501 HydrophobicContact CB-CH2 4.21Å; A491-W501 HydrophobicContact CB-CZ2 3.89Å; A491-Y559 PolarHBondContact O-OH 2.92Å
492A96.7Very high95.6Very high5 Ų534.6 Ų34.64%0.04117%0.169CC..THydrogen-bonded Turntrans-63.1-19.2178.800000114.2P444 L446 M488 W489 F490 L536P444-A492 HydrophobicContact CB-CB 4.2Å; L446-A492 HydrophobicContact CD1-CB 4.28Å; L446-A492 HydrophobicContact CG-CB 3.84Å; M488-A492 PolarHBondContact O-N 3.38Å; W489-A492 PolarHBondContact O-N 2.85Å; F490-A492 VanDerWaalsContact C-N 3.28Å; F490-A492 PolarHBondContact O-N 3.41Å; A492-L536 HydrophobicContact CB-CD1 4.4Å
493L94.3Very high95.6Very high62 Ų6234.9 Ų34.933%0.32517%0.17SC..THydrogen-bonded Turntrans-84.2-19.3-178.6-60.6173.6000113.7T438 P444 W489 F490 A491T438-L493 HydrophobicContact CG2-CD1 3.81Å; T438-L493 HydrophobicContact CG2-CD2 4.01Å; P444-L493 HydrophobicContact CG-CD2 3.71Å; W489-L493 HydrophobicContact CE3-CD1 4.21Å; W489-L493 HydrophobicContact CH2-CD1 4.03Å; W489-L493 HydrophobicContact CZ2-CD1 4.42Å; W489-L493 HydrophobicContact CZ3-CD1 3.91Å; F490-L493 HydrophobicContact CD1-CD1 4.46Å; F490-L493 WeakPolarHBondContact O-CB 3.25Å; F490-L493 PolarHBondContact O-N 3.34Å; F490-L493 VanDerWaalsContact O-N 3.16Å; A491-L493 PolarHBondContact O-N 3.15Å; A491-L493 VanDerWaalsContact O-N 3.12Å
494T93.4Very high95.6Very high62 Ų6235.3 Ų35.338%0.3817%0.173SC..SBendtrans-141.9-179.6-175.966.80000111A491 H499 Y559A491-T494 PolarHBondContact O-N 3.49Å; T494-H499 PolarHBondContact OG1-CD2 2.91Å; T494-H499 PolarHBondContact OG1-NE2 2.97Å; T494-Y559 WeakPolarHBondContact O-CE2 3.25Å; T494-Y559 PolarHBondContact O-OH 2.87Å
495N93.7Very high95.6Very high71 Ų7135.2 Ų35.238%0.3817%0.172SC..  trans-75.2152.7178-171.1-81.4000112.9R497 N498 H499 Y559N495-R497 PolarHBondContact O-N 3.4Å; N495-R497 VanDerWaalsContact O-N 3.16Å; N495-R497 WeakPolarHBondContact OD1-CB 3.41Å; N495-R497 VanDerWaalsContact OD1-CG 3.27Å; N495-R497 WeakPolarHBondContact OD1-CG 3.39Å; N495-R497 PolarHBondContact OD1-N 2.87Å; N495-N498 PolarHBondContact O-N 2.83Å; N495-N498 VanDerWaalsContact O-N 3.08Å; N495-H499 PolarHBondContact O-CD2 3.4Å; N495-Y559 VanDerWaalsContact C-OH 3.25Å
496Y92Very high95.6Very high21 Ų2135 Ų358%0.08217%0.171CC..G310 helixtrans-58.9-26.5179.562.4-91.3000113.4N498 H499 M503 Y559 L560Y496-N498 PolarHBondContact O-N 3.05Å; Y496-H499 CarbonylContact O-C 3.49Å; Y496-H499 WeakPolarHBondContact O-CA 3.24Å; Y496-H499 PolarHBondContact O-N 3.23Å; Y496-M503 HydrophobicContact CD2-CG 4.45Å; Y496-M503 HydrophobicContact CD2-SD 3.83Å; Y496-M503 HydrophobicContact CE2-SD 4.24Å; Y496-Y559 WeakPolarHBondContact CA-OH 3.36Å; Y496-Y559 VanDerWaalsContact CB-CE1 3.49Å; Y496-Y559 HydrophobicContact CD1-CD1 4.36Å; Y496-Y559 HydrophobicContact CD1-CE1 4.3Å; Y496-Y559 WeakPolarHBondContact CD1-O 3.33Å; Y496-Y559 WeakPolarHBondContact CE1-O 3.37Å; Y496-Y559 HydrophobicContact CG-CE1 4.39Å; Y496-Y559 VanDerWaalsContact N-CZ 3.33Å; Y496-Y559 PolarHBondContact N-OH 2.7Å; Y496-L560 HydrophobicContact CD1-CD1 4.24Å; Y496-L560 HydrophobicContact CD2-CD1 4.21Å; Y496-L560 HydrophobicContact CE1-CD1 4.02Å; Y496-L560 HydrophobicContact CE2-CD1 3.97Å; Y496-L560 HydrophobicContact CG-CD1 4.35Å
497R90.9Very high95.7Very high191 Ų19137.3 Ų37.372%0.72118%0.18SC*.G310 helixtrans-59.7-25.3176.3-67.1175.7-171.1-172.11113.2N495 H499N495-R497 PolarHBondContact O-N 3.4Å; N495-R497 VanDerWaalsContact O-N 3.16Å; N495-R497 WeakPolarHBondContact OD1-CB 3.41Å; N495-R497 VanDerWaalsContact OD1-CG 3.27Å; N495-R497 WeakPolarHBondContact OD1-CG 3.39Å; N495-R497 PolarHBondContact OD1-N 2.87Å; R497-H499 VanDerWaalsContact C-N 3.25Å; R497-H499 PolarHBondContact O-N 3.26Å
498N92.9Very high95.7Very high113 Ų11337.9 Ų37.960%0.60418%0.182SC*.G310 helixtrans-83.3-3.2176-62.2-19.6000112.9N495 Y496N495-N498 PolarHBondContact O-N 2.83Å; N495-N498 VanDerWaalsContact O-N 3.08Å; Y496-N498 PolarHBondContact O-N 3.05Å
499H95.4Very high95.7Very high24 Ų2437.9 Ų37.911%0.11118%0.182CC..  trans-130.874.9-172.9-65.2-73.7000110.3T494 N495 Y496 R497 W501 F502T494-H499 PolarHBondContact OG1-CD2 2.91Å; T494-H499 PolarHBondContact OG1-NE2 2.97Å; N495-H499 PolarHBondContact O-CD2 3.4Å; Y496-H499 CarbonylContact O-C 3.49Å; Y496-H499 WeakPolarHBondContact O-CA 3.24Å; Y496-H499 PolarHBondContact O-N 3.23Å; R497-H499 VanDerWaalsContact C-N 3.25Å; R497-H499 PolarHBondContact O-N 3.26Å; H499-W501 HydrophobicContact CB-CZ2 4.36Å; H499-W501 AromaticContact CG-NE1 3.86Å; H499-W501 AromaticContact ND1-NE1 3.45Å; H499-W501 PolarHBondContact ND1-NE1 3.47Å; H499-W501 PolarHBondContact O-N 3.22Å; H499-W501 VanDerWaalsContact O-N 3.13Å; H499-F502 HydrophobicContact CB-CB 4.14Å; H499-F502 WeakPolarHBondContact O-CB 3.41Å; H499-F502 PolarHBondContact O-N 3.44Å
500P93.8Very high95.7Very high65 Ų6537.9 Ų37.942%0.42218%0.183SC..Hα-helixtrans-60.3-31.3-172.7-20.630.3000113.8F502 M503 N504 N577P500-F502 PolarHBondContact O-N 3.15Å; P500-F502 VanDerWaalsContact O-N 3.14Å; P500-M503 PolarHBondContact O-N 3.44Å; P500-M503 VanDerWaalsContact O-N 3.15Å; P500-N504 PolarHBondContact O-N 3.01Å; P500-N577 WeakPolarHBondContact CB-OD1 3.36Å; P500-N577 PolarHBondContact O-ND2 2.77Å
501W96.7Very high95.8Very high10 Ų1037 Ų374%0.03818%0.182CC..Hα-helixtrans-56.4-26.7172.767.4-93.7000113.2V41 T42 T121 F122 L484 Q487 M488 A491 H499 N504 L505V41-W501 HydrophobicContact CG1-CB 4.23Å; V41-W501 HydrophobicContact CG1-CE3 4.32Å; V41-W501 VanDerWaalsContact CG1-O 3.25Å; V41-W501 WeakPolarHBondContact CG1-O 3.34Å; T42-W501 HydrophobicContact CG2-CB 3.81Å; T121-W501 HydrophobicContact CG2-CB 4.26Å; T121-W501 HydrophobicContact CG2-CG 3.92Å; F122-W501 HydrophobicContact CZ-CD2 4.22Å; F122-W501 AromaticContact CZ-CE3 3.94Å; F122-W501 HydrophobicContact CZ-CE3 3.94Å; L484-W501 HydrophobicContact CD1-CE3 4.44Å; L484-W501 HydrophobicContact CD1-CZ3 3.86Å; Q487-W501 HydrophobicContact CB-CH2 3.74Å; Q487-W501 HydrophobicContact CB-CZ2 3.52Å; Q487-W501 HydrophobicContact CB-CZ3 4.37Å; Q487-W501 VanDerWaalsContact O-CZ2 3.31Å; Q487-W501 WeakPolarHBondContact O-CZ2 3.33Å; M488-W501 HydrophobicContact CG-CH2 4.19Å; M488-W501 HydrophobicContact SD-CH2 3.72Å; M488-W501 HydrophobicContact SD-CZ3 4.01Å; A491-W501 HydrophobicContact CB-CH2 4.21Å; A491-W501 HydrophobicContact CB-CZ2 3.89Å; H499-W501 HydrophobicContact CB-CZ2 4.36Å; H499-W501 AromaticContact CG-NE1 3.86Å; H499-W501 AromaticContact ND1-NE1 3.45Å; H499-W501 PolarHBondContact ND1-NE1 3.47Å; H499-W501 PolarHBondContact O-N 3.22Å; H499-W501 VanDerWaalsContact O-N 3.13Å; W501-N504 WeakPolarHBondContact O-CB 3.46Å; W501-N504 PolarHBondContact O-N 3.09Å; W501-L505 HydrophobicContact CZ3-CD2 4.18Å; W501-L505 PolarHBondContact O-N 2.93Å
502F98Very high95.8Very high0 Ų038.9 Ų38.90%019%0.191CC..Hα-helixtrans-65.9-43.8178.3-176.1-98.3000111.2L446 L448 M488 H499 P500 N504 L505 I506 A534 Y559 L560L446-F502 HydrophobicContact CD1-CE2 4.29Å; L448-F502 HydrophobicContact CD2-CE2 3.96Å; L448-F502 HydrophobicContact CD2-CZ 3.73Å; M488-F502 HydrophobicContact CE-CE2 4.06Å; M488-F502 HydrophobicContact SD-CD2 4.13Å; M488-F502 HydrophobicContact SD-CE2 4.05Å; H499-F502 HydrophobicContact CB-CB 4.14Å; H499-F502 WeakPolarHBondContact O-CB 3.41Å; H499-F502 PolarHBondContact O-N 3.44Å; P500-F502 PolarHBondContact O-N 3.15Å; P500-F502 VanDerWaalsContact O-N 3.14Å; F502-N504 VanDerWaalsContact C-N 3.29Å; F502-N504 PolarHBondContact O-N 3.36Å; F502-L505 WeakPolarHBondContact O-CB 3.49Å; F502-L505 PolarHBondContact O-N 2.97Å; F502-L505 VanDerWaalsContact O-N 3.12Å; F502-I506 HydrophobicContact CD1-CG1 4.23Å; F502-I506 HydrophobicContact CE1-CD1 4.15Å; F502-I506 HydrophobicContact CE1-CG1 3.99Å; F502-I506 HydrophobicContact CZ-CD1 4.09Å; F502-I506 HydrophobicContact CZ-CG1 4.4Å; F502-I506 WeakPolarHBondContact O-CG1 3.28Å; F502-I506 PolarHBondContact O-N 3.19Å; F502-A534 HydrophobicContact CE1-CB 4.5Å; F502-A534 HydrophobicContact CZ-CB 3.9Å; F502-Y559 HydrophobicContact CD1-CE1 4.49Å; F502-Y559 HydrophobicContact CE1-CD1 4.24Å; F502-Y559 HydrophobicContact CE1-CE1 4Å; F502-Y559 HydrophobicContact CE2-CE1 4.46Å; F502-Y559 HydrophobicContact CZ-CD1 4.14Å; F502-Y559 AromaticContact CZ-CE1 3.99Å; F502-Y559 HydrophobicContact CZ-CE1 3.99Å; F502-L560 HydrophobicContact CE1-CB 4.42Å; F502-L560 HydrophobicContact CE1-CD2 4.11Å
503M97.2Very high95.8Very high7 Ų740.6 Ų40.63%0.03420%0.198CC..Hα-helixtrans-66.1-35.2176.8-63.2-56.8-6900111.5Y496 P500 I506 Y507 L560 I569 L570 A573Y496-M503 HydrophobicContact CD2-CG 4.45Å; Y496-M503 HydrophobicContact CD2-SD 3.83Å; Y496-M503 HydrophobicContact CE2-SD 4.24Å; P500-M503 PolarHBondContact O-N 3.44Å; P500-M503 VanDerWaalsContact O-N 3.15Å; M503-I506 PolarHBondContact O-N 2.98Å; M503-Y507 WeakPolarHBondContact O-CB 3.35Å; M503-Y507 PolarHBondContact O-N 3.36Å; M503-L560 HydrophobicContact CE-CD1 4.31Å; M503-L560 HydrophobicContact SD-CD1 4.03Å; M503-L560 HydrophobicContact SD-CD2 4.46Å; M503-I569 HydrophobicContact CE-CG2 4.15Å; M503-L570 HydrophobicContact CB-CD1 4.45Å; M503-L570 HydrophobicContact CE-CB 4.21Å; M503-L570 HydrophobicContact CE-CD1 3.68Å; M503-L570 WeakPolarHBondContact O-CD1 3.31Å; M503-A573 HydrophobicContact CB-CB 3.85Å; M503-A573 HydrophobicContact CE-CB 4.3Å; M503-A573 HydrophobicContact CG-CB 3.85Å
504N97.3Very high95.9Very high9 Ų941.7 Ų41.75%0.04821%0.207CC..Hα-helixtrans-63-42.6171.5-61.9-6.6000111.3V41 P500 W501 F502 I506 Y507 R508 N577 L579V41-N504 HydrophobicContact CG1-CB 4.28Å; V41-N504 WeakPolarHBondContact O-CB 3.5Å; V41-N504 PolarHBondContact O-ND2 2.87Å; P500-N504 PolarHBondContact O-N 3.01Å; W501-N504 WeakPolarHBondContact O-CB 3.46Å; W501-N504 PolarHBondContact O-N 3.09Å; F502-N504 VanDerWaalsContact C-N 3.29Å; F502-N504 PolarHBondContact O-N 3.36Å; N504-I506 PolarHBondContact O-N 3.31Å; N504-Y507 PolarHBondContact O-N 2.9Å; N504-R508 WeakPolarHBondContact O-CG 3.45Å; N504-R508 PolarHBondContact O-N 3.44Å; N504-N577 PolarHBondContact OD1-ND2 3.45Å; N504-L579 HydrophobicContact CB-CD1 4.49Å; N504-L579 HydrophobicContact CB-CD2 3.87Å
505L98.2Very high96.1Very high0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-56.7-50.5174.5173.967.3000110.6V41 L448 L484 M488 W501 F502 Y507 R508 L509 V516V41-L505 HydrophobicContact CG1-CB 4.09Å; V41-L505 HydrophobicContact CG2-CB 4.4Å; V41-L505 HydrophobicContact CG2-CD1 3.96Å; L448-L505 HydrophobicContact CD1-CD2 4.13Å; L484-L505 HydrophobicContact CD1-CD2 4.23Å; L484-L505 HydrophobicContact CD2-CD1 4.46Å; M488-L505 HydrophobicContact SD-CD2 4.07Å; W501-L505 HydrophobicContact CZ3-CD2 4.18Å; W501-L505 PolarHBondContact O-N 2.93Å; F502-L505 WeakPolarHBondContact O-CB 3.49Å; F502-L505 PolarHBondContact O-N 2.97Å; F502-L505 VanDerWaalsContact O-N 3.12Å; L505-Y507 VanDerWaalsContact C-N 3.32Å; L505-Y507 PolarHBondContact O-N 3.38Å; L505-R508 PolarHBondContact O-N 3.41Å; L505-R508 VanDerWaalsContact O-N 3.15Å; L505-L509 HydrophobicContact CD1-CD1 4.04Å; L505-L509 HydrophobicContact CD1-CD2 4.43Å; L505-L509 HydrophobicContact CD1-CG 4.06Å; L505-L509 HydrophobicContact CG-CD1 3.97Å; L505-L509 HydrophobicContact CG-CG 4.36Å; L505-L509 VanDerWaalsContact O-CG 3.28Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 3.01Å; L505-V516 HydrophobicContact CD1-CG1 3.6Å
506I98.1Very high96.3Very high0 Ų037.7 Ų37.70%018%0.182CC..Hα-helixtrans-57.7-44.9178.2-59.1-59.6000111.5L448 F502 M503 N504 R508 L509 L510 I532 L560 V563 L570L448-I506 HydrophobicContact CD1-CD1 4.31Å; L448-I506 HydrophobicContact CD2-CD1 4.04Å; F502-I506 HydrophobicContact CD1-CG1 4.23Å; F502-I506 HydrophobicContact CE1-CD1 4.15Å; F502-I506 HydrophobicContact CE1-CG1 3.99Å; F502-I506 HydrophobicContact CZ-CD1 4.09Å; F502-I506 HydrophobicContact CZ-CG1 4.4Å; F502-I506 WeakPolarHBondContact O-CG1 3.28Å; F502-I506 PolarHBondContact O-N 3.19Å; M503-I506 PolarHBondContact O-N 2.98Å; N504-I506 PolarHBondContact O-N 3.31Å; I506-R508 PolarHBondContact O-N 3.24Å; I506-L509 PolarHBondContact O-N 3.1Å; I506-L510 HydrophobicContact CG2-CD1 4.16Å; I506-L510 PolarHBondContact O-N 3.07Å; I506-I532 HydrophobicContact CD1-CG2 3.75Å; I506-I532 HydrophobicContact CG2-CB 4.19Å; I506-I532 HydrophobicContact CG2-CG2 4.15Å; I506-L560 HydrophobicContact CD1-CD2 4.28Å; I506-L560 HydrophobicContact CG1-CD2 3.94Å; I506-L560 HydrophobicContact CG2-CD2 4.4Å; I506-V563 HydrophobicContact CG2-CG2 3.72Å; I506-L570 HydrophobicContact CB-CD1 4.28Å; I506-L570 HydrophobicContact CG2-CD1 4.21Å
507Y97.5Very high96.6Very high54 Ų5437.7 Ų37.721%0.21218%0.183CC..Hα-helixtrans-60.5-42.5176.6179.3-95.4000112.6M503 N504 L505 N511 L565 L570 V574 L579 V580M503-Y507 WeakPolarHBondContact O-CB 3.35Å; M503-Y507 PolarHBondContact O-N 3.36Å; N504-Y507 PolarHBondContact O-N 2.9Å; L505-Y507 VanDerWaalsContact C-N 3.32Å; L505-Y507 PolarHBondContact O-N 3.38Å; Y507-N511 VanDerWaalsContact CE1-ND2 3.33Å; Y507-N511 WeakPolarHBondContact CE1-ND2 3.18Å; Y507-N511 VanDerWaalsContact CZ-ND2 3.28Å; Y507-N511 PolarHBondContact O-N 3.05Å; Y507-N511 VanDerWaalsContact O-N 3.15Å; Y507-N511 PolarHBondContact O-ND2 2.69Å; Y507-L565 HydrophobicContact CD2-CD2 3.89Å; Y507-L565 HydrophobicContact CE2-CD2 3.94Å; Y507-L570 HydrophobicContact CD2-CD2 4.38Å; Y507-V574 HydrophobicContact CD1-CG1 4.34Å; Y507-V574 HydrophobicContact CD2-CG1 4.14Å; Y507-V574 HydrophobicContact CD2-CG2 4.08Å; Y507-V574 HydrophobicContact CE2-CG1 4.32Å; Y507-V574 HydrophobicContact CG-CG1 4.14Å; Y507-V574 HydrophobicContact CG-CG2 3.95Å; Y507-L579 HydrophobicContact CD1-CD2 3.59Å; Y507-L579 HydrophobicContact CE1-CD2 4.17Å; Y507-L579 HydrophobicContact CG-CD2 4.25Å; Y507-V580 HydrophobicContact CE1-CG2 4.13Å; Y507-V580 HydrophobicContact CE2-CG2 4.36Å
508R97.4Very high96.8Very high17 Ų1732.6 Ų32.66%0.06417%0.167CC..Hα-helixtrans-68.8-37.1178.9-66.6-64.4-174.6-175.25.1112.4E38 Y39 G40 N504 L505 I506 N511 Q512 Q513 V516E38-R508 PolarHBondContact O-NH2 3.09Å; Y39-R508 VanDerWaalsContact O-CD 3.25Å; Y39-R508 WeakPolarHBondContact O-CD 3.34Å; Y39-R508 PolarHBondContact O-NE 3.36Å; G40-R508 PolarHBondContact O-NE 3.41Å; G40-R508 PolarHBondContact O-NH2 3.19Å; N504-R508 WeakPolarHBondContact O-CG 3.45Å; N504-R508 PolarHBondContact O-N 3.44Å; L505-R508 PolarHBondContact O-N 3.41Å; L505-R508 VanDerWaalsContact O-N 3.15Å; I506-R508 PolarHBondContact O-N 3.24Å; R508-N511 CarbonylContact O-C 3.32Å; R508-N511 PolarHBondContact O-N 2.94Å; R508-Q512 PolarHBondContact O-N 3.5Å; R508-Q512 VanDerWaalsContact O-N 3.16Å; R508-Q513 HydrophobicContact CB-CB 4.25Å; R508-Q513 HydrophobicContact CB-CG 4.19Å; R508-Q513 WeakPolarHBondContact O-CG 3.37Å; R508-Q513 PolarHBondContact O-N 2.78Å; R508-V516 HydrophobicContact CB-CB 4.19Å; R508-V516 HydrophobicContact CB-CG1 4.12Å; R508-V516 HydrophobicContact CB-CG2 3.84Å; R508-V516 HydrophobicContact CG-CG2 4.07Å
509L97.9Very high97Very high0 Ų027.8 Ų27.80%014%0.142CC..Hα-helixtrans-67-43.8175.3-67.2177.5000111.8L448 Y461 L505 I506 N511 Q512 V516 L517 L520 I532L448-L509 HydrophobicContact CD1-CD1 3.91Å; Y461-L509 HydrophobicContact CD1-CD2 4.38Å; Y461-L509 HydrophobicContact CD2-CD1 4.32Å; Y461-L509 HydrophobicContact CE1-CD1 4.44Å; Y461-L509 HydrophobicContact CE1-CD2 3.93Å; Y461-L509 HydrophobicContact CE2-CB 4.46Å; Y461-L509 HydrophobicContact CE2-CD1 4.12Å; L505-L509 HydrophobicContact CD1-CD1 4.04Å; L505-L509 HydrophobicContact CD1-CD2 4.43Å; L505-L509 HydrophobicContact CD1-CG 4.06Å; L505-L509 HydrophobicContact CG-CD1 3.97Å; L505-L509 HydrophobicContact CG-CG 4.36Å; L505-L509 VanDerWaalsContact O-CG 3.28Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 3.01Å; I506-L509 PolarHBondContact O-N 3.1Å; L509-N511 PolarHBondContact O-N 3.29Å; L509-Q512 PolarHBondContact O-N 3.37Å; L509-Q512 PolarHBondContact O-OE1 2.82Å; L509-Q512 VanDerWaalsContact O-OE1 3.13Å; L509-V516 HydrophobicContact CD2-CG1 4.17Å; L509-L517 HydrophobicContact CD2-CD2 3.75Å; L509-L520 HydrophobicContact CD2-CD1 3.65Å; L509-I532 HydrophobicContact CB-CD1 3.5Å; L509-I532 VanDerWaalsContact CB-CD1 3.5Å
510L97.7Very high97.1Very high11 Ų1126.7 Ų26.76%0.05814%0.137CC..Hα-helixtrans-61.2-32174.3-79.9167.2000112.9I506 Q512 K530 I532 L565 L570I506-L510 HydrophobicContact CG2-CD1 4.16Å; I506-L510 PolarHBondContact O-N 3.07Å; L510-Q512 VanDerWaalsContact C-N 3.29Å; L510-K530 WeakPolarHBondContact CD2-O 3.28Å; L510-I532 HydrophobicContact CD2-CB 4.39Å; L510-I532 HydrophobicContact CD2-CD1 4.04Å; L510-I532 HydrophobicContact CD2-CG1 3.76Å; L510-I532 HydrophobicContact CG-CB 4.44Å; L510-I532 HydrophobicContact CG-CD1 3.74Å; L510-I532 HydrophobicContact CG-CG1 3.94Å; L510-L565 HydrophobicContact CB-CD2 3.55Å; L510-L565 HydrophobicContact CB-CG 3.9Å; L510-L565 HydrophobicContact CD1-CD2 4.09Å; L510-L565 HydrophobicContact CD1-CG 4.32Å; L510-L565 HydrophobicContact CG-CD2 4.45Å; L510-L570 HydrophobicContact CD1-CD2 3.51Å
511N96.8Very high97.2Very high55 Ų5523.9 Ų23.929%0.29412%0.118SC..THydrogen-bonded Turntrans-86.66.3174.1-73.8-70.9000113.7Y507 R508 L509 Q513 L565Y507-N511 VanDerWaalsContact CE1-ND2 3.33Å; Y507-N511 WeakPolarHBondContact CE1-ND2 3.18Å; Y507-N511 VanDerWaalsContact CZ-ND2 3.28Å; Y507-N511 PolarHBondContact O-N 3.05Å; Y507-N511 VanDerWaalsContact O-N 3.15Å; Y507-N511 PolarHBondContact O-ND2 2.69Å; R508-N511 CarbonylContact O-C 3.32Å; R508-N511 PolarHBondContact O-N 2.94Å; L509-N511 PolarHBondContact O-N 3.29Å; N511-Q513 VanDerWaalsContact C-N 3.26Å; N511-Q513 HydrophobicContact CB-CG 3.92Å; N511-Q513 PolarHBondContact O-N 3.21Å; N511-Q513 PolarHBondContact O-NE2 3.34Å; N511-L565 WeakPolarHBondContact ND2-CD2 3.4Å
512Q97Very high97Very high40 Ų4026.6 Ų26.619%0.18714%0.137CC..THydrogen-bonded Turntrans5043.5178.9-65-76.4100.200113.5R508 L509 L510 T514 L517 P526 P529R508-Q512 PolarHBondContact O-N 3.5Å; R508-Q512 VanDerWaalsContact O-N 3.16Å; L509-Q512 PolarHBondContact O-N 3.37Å; L509-Q512 PolarHBondContact O-OE1 2.82Å; L509-Q512 VanDerWaalsContact O-OE1 3.13Å; L510-Q512 VanDerWaalsContact C-N 3.29Å; Q512-T514 PolarHBondContact O-N 3.2Å; Q512-L517 HydrophobicContact CB-CD1 4.36Å; Q512-P526 PolarHBondContact NE2-O 3.13Å; Q512-P529 VanDerWaalsContact CD-CD 3.47Å
513Q96.6Very high96.8Very high41 Ų4130.5 Ų30.519%0.19216%0.164CC..  trans-70.7114.6-176.5-62.9-71.8-43.500110.5R508 N511 E515 V516 L517R508-Q513 HydrophobicContact CB-CB 4.25Å; R508-Q513 HydrophobicContact CB-CG 4.19Å; R508-Q513 WeakPolarHBondContact O-CG 3.37Å; R508-Q513 PolarHBondContact O-N 2.78Å; N511-Q513 VanDerWaalsContact C-N 3.26Å; N511-Q513 HydrophobicContact CB-CG 3.92Å; N511-Q513 PolarHBondContact O-N 3.21Å; N511-Q513 PolarHBondContact O-NE2 3.34Å; Q513-E515 VanDerWaalsContact C-N 3.32Å; Q513-E515 PolarHBondContact O-N 2.68Å; Q513-V516 HydrophobicContact CB-CB 4.45Å; Q513-V516 HydrophobicContact CB-CG2 4.38Å; Q513-V516 PolarHBondContact O-N 3.47Å; Q513-V516 VanDerWaalsContact O-N 3.12Å; Q513-L517 WeakPolarHBondContact O-CG 3.44Å; Q513-L517 PolarHBondContact O-N 3.19Å
514T96.3Very high96.4Very high84 Ų8431.5 Ų31.552%0.51517%0.172SC..Hα-helixtrans-54.2-45.7-171.8-52.80000112.4Q512 V516 L517 E518Q512-T514 PolarHBondContact O-N 3.2Å; T514-V516 PolarHBondContact O-N 3.46Å; T514-L517 PolarHBondContact O-N 3.06Å; T514-L517 VanDerWaalsContact O-N 3.13Å; T514-E518 HydrophobicContact CG2-CG 4.47Å; T514-E518 WeakPolarHBondContact O-CG 3.45Å; T514-E518 PolarHBondContact O-N 3.34Å
515E96.8Very high96.2Very high50 Ų5034 Ų3423%0.23419%0.185CC..Hα-helixtrans-62.7-32.5-176.3-61.388.9157.200112.6P33 G34 Y39 Q513 Q606P33-E515 HydrophobicContact CB-CB 4.02Å; P33-E515 HydrophobicContact CB-CG 3.9Å; G34-E515 WeakPolarHBondContact CA-O 3.28Å; G34-E515 PolarHBondContact N-O 2.96Å; Y39-E515 WeakPolarHBondContact CB-OE2 3.48Å; Y39-E515 WeakPolarHBondContact CD2-OE1 3.41Å; Q513-E515 VanDerWaalsContact C-N 3.32Å; Q513-E515 PolarHBondContact O-N 2.68Å; E515-Q606 PolarHBondContact O-OE1 2.9Å
516V97.8Very high96Very high0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-80.9-38.7177.1178.50000110.7Y39 V41 L505 R508 L509 Q513 T514 E518 L519Y39-V516 WeakPolarHBondContact O-CG2 3.43Å; V41-V516 HydrophobicContact CG2-CG1 3.9Å; V41-V516 HydrophobicContact CG2-CG2 4.03Å; L505-V516 HydrophobicContact CD1-CG1 3.6Å; R508-V516 HydrophobicContact CB-CB 4.19Å; R508-V516 HydrophobicContact CB-CG1 4.12Å; R508-V516 HydrophobicContact CB-CG2 3.84Å; R508-V516 HydrophobicContact CG-CG2 4.07Å; L509-V516 HydrophobicContact CD2-CG1 4.17Å; Q513-V516 HydrophobicContact CB-CB 4.45Å; Q513-V516 HydrophobicContact CB-CG2 4.38Å; Q513-V516 PolarHBondContact O-N 3.47Å; Q513-V516 VanDerWaalsContact O-N 3.12Å; T514-V516 PolarHBondContact O-N 3.46Å; V516-E518 VanDerWaalsContact C-N 3.27Å; V516-E518 PolarHBondContact O-N 3Å; V516-L519 WeakPolarHBondContact O-CB 3.2Å; V516-L519 PolarHBondContact O-N 3.42Å; V516-L519 VanDerWaalsContact O-N 3.12Å
517L97.6Very high95.6Very high20 Ų2040.7 Ų40.711%0.10522%0.221CC..Hα-helixtrans-62.9-33.5174.9-67.2173000111.9Y461 L509 Q512 Q513 T514 L519 L520 L525Y461-L517 HydrophobicContact CE1-CD2 4.09Å; L509-L517 HydrophobicContact CD2-CD2 3.75Å; Q512-L517 HydrophobicContact CB-CD1 4.36Å; Q513-L517 WeakPolarHBondContact O-CG 3.44Å; Q513-L517 PolarHBondContact O-N 3.19Å; T514-L517 PolarHBondContact O-N 3.06Å; T514-L517 VanDerWaalsContact O-N 3.13Å; L517-L519 PolarHBondContact O-N 3.13Å; L517-L520 WeakPolarHBondContact O-CB 3.33Å; L517-L520 PolarHBondContact O-N 3.27Å; L517-L525 HydrophobicContact CB-CD1 4.14Å; L517-L525 HydrophobicContact CD2-CD2 3.98Å
518E96.6Very high95.4Very high84 Ų8443.2 Ų43.239%0.39324%0.239SC..THydrogen-bonded Turntrans-66.9-15.9175.1-74.6-175.9-166.900113.7T514 V516 L520 Q606T514-E518 HydrophobicContact CG2-CG 4.47Å; T514-E518 WeakPolarHBondContact O-CG 3.45Å; T514-E518 PolarHBondContact O-N 3.34Å; V516-E518 VanDerWaalsContact C-N 3.27Å; V516-E518 PolarHBondContact O-N 3Å; E518-L520 VanDerWaalsContact C-N 3.28Å; E518-Q606 HydrophobicContact CB-CB 4.19Å; E518-Q606 WeakPolarHBondContact OE2-CB 3.39Å; E518-Q606 VanDerWaalsContact OE2-CD 3.3Å; E518-Q606 WeakPolarHBondContact OE2-CG 3.3Å; E518-Q606 PolarHBondContact OE2-OE1 3.19Å
519L97.3Very high95.3Very high13 Ų1342.8 Ų42.87%0.06824%0.238CC..THydrogen-bonded Turntrans-77.5-13.5169.8-60.3178.9000113Q31 L35 N464 L484 V516 L517Q31-L519 HydrophobicContact CB-CD2 4.06Å; Q31-L519 HydrophobicContact CG-CD2 4.01Å; L35-L519 HydrophobicContact CD2-CD1 3.67Å; L35-L519 HydrophobicContact CG-CD1 4.06Å; N464-L519 VanDerWaalsContact ND2-C 3.26Å; N464-L519 PolarHBondContact ND2-O 3.34Å; L484-L519 HydrophobicContact CD2-CB 3.82Å; L484-L519 HydrophobicContact CD2-CD1 4.02Å; V516-L519 WeakPolarHBondContact O-CB 3.2Å; V516-L519 PolarHBondContact O-N 3.42Å; V516-L519 VanDerWaalsContact O-N 3.12Å; L517-L519 PolarHBondContact O-N 3.13Å
520L97.5Very high95.3Very high1 Ų149.5 Ų49.51%0.00527%0.267CS..BIsolated β-bridgetrans-103174-176.3-59.7-176.2000111.8Y461 G462 F463 N464 L484 L509 L517 E518 P522 L525Y461-L520 HydrophobicContact CD1-CD1 3.71Å; Y461-L520 HydrophobicContact CE1-CD1 4.39Å; Y461-L520 HydrophobicContact CG-CD1 4.3Å; G462-L520 WeakPolarHBondContact O-CB 3.37Å; F463-L520 HydrophobicContact CD1-CD2 3.48Å; F463-L520 VanDerWaalsContact CD1-CD2 3.48Å; F463-L520 HydrophobicContact CD2-CD2 4.25Å; F463-L520 HydrophobicContact CE1-CD2 3.45Å; F463-L520 VanDerWaalsContact CE1-CD2 3.45Å; F463-L520 HydrophobicContact CE2-CD2 4.26Å; F463-L520 HydrophobicContact CG-CD2 3.9Å; F463-L520 HydrophobicContact CZ-CD2 3.88Å; N464-L520 PolarHBondContact ND2-O 3.44Å; N464-L520 PolarHBondContact OD1-O 3.07Å; L484-L520 HydrophobicContact CD2-CD2 3.95Å; L509-L520 HydrophobicContact CD2-CD1 3.65Å; L517-L520 WeakPolarHBondContact O-CB 3.33Å; L517-L520 PolarHBondContact O-N 3.27Å; E518-L520 VanDerWaalsContact C-N 3.28Å; L520-P522 VanDerWaalsContact O-CD 3.25Å; L520-P522 WeakPolarHBondContact O-CD 3.29Å; L520-L525 HydrophobicContact CB-CD2 3.98Å; L520-L525 HydrophobicContact CD1-CD2 4.29Å
521D95.5Very high95.3Very high5 Ų551.8 Ų51.83%0.02728%0.275CS..  trans-76.8111.7176-175.9-6.4000109.9G462 N464 R469 S523 S524 R608G462-D521 WeakPolarHBondContact O-CB 3.32Å; G462-D521 PolarHBondContact O-N 3.41Å; N464-D521 WeakPolarHBondContact OD1-CA 3.28Å; R469-D521 IonicContact CZ-OD2 3.78Å; R469-D521 IonicContact NH2-OD2 2.72Å; R469-D521 PolarHBondContact NH2-OD2 2.73Å; D521-S523 PolarHBondContact O-N 2.88Å; D521-S523 VanDerWaalsContact O-N 3.11Å; D521-S523 WeakPolarHBondContact OD1-CB 3.23Å; D521-S523 PolarHBondContact OD1-N 3.32Å; D521-S523 VanDerWaalsContact OD1-N 3.07Å; D521-S523 PolarHBondContact OD1-OG 3.38Å; D521-S523 PolarHBondContact OD2-OG 2.97Å; D521-S523 VanDerWaalsContact OD2-OG 3.12Å; D521-S524 PolarHBondContact O-N 3.19Å; D521-S524 VanDerWaalsContact O-N 3.14Å; D521-S524 PolarHBondContact O-OG 3.48Å; D521-R608 IonicContact OD1-NH1 3.1Å; D521-R608 PolarHBondContact OD1-NH1 2.92Å
522P93Very high95.4Very high67 Ų6749.2 Ų49.244%0.43526%0.261SS..G310 helixtrans-67.1-13.7-176.330.4-38.2000113.3L520 S524 L525L520-P522 VanDerWaalsContact O-CD 3.25Å; L520-P522 WeakPolarHBondContact O-CD 3.29Å; P522-S524 PolarHBondContact O-N 3.01Å; P522-L525 HydrophobicContact CB-CD1 4.33Å
523S92.3Very high95.4Very high83 Ų8350 Ų5058%0.5826%0.263SS*.G310 helixtrans-72.7-9.3175.465.50000113.8R469 D521R469-S523 PolarHBondContact NH2-OG 2.77Å; D521-S523 PolarHBondContact O-N 2.88Å; D521-S523 VanDerWaalsContact O-N 3.11Å; D521-S523 WeakPolarHBondContact OD1-CB 3.23Å; D521-S523 PolarHBondContact OD1-N 3.32Å; D521-S523 VanDerWaalsContact OD1-N 3.07Å; D521-S523 PolarHBondContact OD1-OG 3.38Å; D521-S523 PolarHBondContact OD2-OG 2.97Å; D521-S523 VanDerWaalsContact OD2-OG 3.12Å
524S88.5Confident95.4Very high28 Ų2848 Ų4820%0.19625%0.254CS..G310 helixtrans-141.745.7-171.449.60000111.7G462 D521 P522 P526G462-S524 WeakPolarHBondContact CA-OG 3.33Å; G462-S524 PolarHBondContact N-OG 3.39Å; G462-S524 VanDerWaalsContact N-OG 3.07Å; D521-S524 PolarHBondContact O-N 3.19Å; D521-S524 VanDerWaalsContact O-N 3.14Å; D521-S524 PolarHBondContact O-OG 3.48Å; P522-S524 PolarHBondContact O-N 3.01Å; S524-P526 WeakPolarHBondContact O-CD 3.47Å
525L93.7Very high95.5Very high60 Ų6044.9 Ų44.931%0.31423%0.233SC..  trans-98114.8175.7-64179.7000110.2Y461 L517 L520 P522Y461-L525 HydrophobicContact CD1-CD2 4.09Å; Y461-L525 HydrophobicContact CE1-CD2 4.43Å; L517-L525 HydrophobicContact CB-CD1 4.14Å; L517-L525 HydrophobicContact CD2-CD2 3.98Å; L520-L525 HydrophobicContact CB-CD2 3.98Å; L520-L525 HydrophobicContact CD1-CD2 4.29Å; P522-L525 HydrophobicContact CB-CD1 4.33Å
526P93.9Very high95.6Very high11 Ų1143.3 Ų43.37%0.07123%0.226CC..  trans-57.3141.2168.9-22.933.9000111.5A450 Y461 Q512 S524A450-P526 HydrophobicContact CB-CB 3.82Å; A450-P526 HydrophobicContact CB-CG 3.76Å; Y461-P526 HydrophobicContact CD1-CG 4.28Å; Y461-P526 HydrophobicContact CD2-CG 4.34Å; Y461-P526 VanDerWaalsContact CE1-CD 3.48Å; Y461-P526 HydrophobicContact CE1-CG 4.1Å; Y461-P526 HydrophobicContact CE2-CG 4.17Å; Y461-P526 HydrophobicContact CG-CG 4.39Å; Q512-P526 PolarHBondContact NE2-O 3.13Å; S524-P526 WeakPolarHBondContact O-CD 3.47Å
527N90.9Very high95.6Very high130 Ų13044.8 Ų44.870%0.69523%0.232SC*.SBendtrans-91.2118.7-179.7-170.517.2000111
528N92.2Very high95.6Very high108 Ų10844.9 Ų44.958%0.57823%0.233SC*.SBendtrans43.558.6175.3-65.5-32.7000114.5
529P95.7Very high95.7Very high8 Ų840.9 Ų40.95%0.05222%0.215CC..  trans-69.6147.8179.630.2-32.1000111.6A450 Y461 Q512A450-P529 HydrophobicContact CB-CB 3.53Å; A450-P529 HydrophobicContact CB-CG 3.96Å; Y461-P529 WeakPolarHBondContact OH-CG 3.21Å; Q512-P529 VanDerWaalsContact CD-CD 3.47Å
530K97Very high95.7Very high141 Ų14143 Ų4361%0.61322%0.224SC*.SBendtrans-100.3-23.5173.1-68-173.3-177.5174.90112.5A451 L510 T564A451-K530 PolarHBondContact O-N 2.89Å; L510-K530 WeakPolarHBondContact CD2-O 3.28Å; K530-T564 WeakPolarHBondContact O-CG2 3.32Å
531Y98.1Very high95.6Very high59 Ų5943.1 Ų43.123%0.23123%0.225CC..EExtended strand (participates in β ladder)trans-126.7135.9-176.9-57.8-93.4000109.2A450 A451 P454 V563 T564A450-Y531 CarbonylContact C-O 3.26Å; A450-Y531 VanDerWaalsContact CA-O 3.24Å; A450-Y531 WeakPolarHBondContact CA-O 3.22Å; A451-Y531 PolarHBondContact N-O 3.29Å; A451-Y531 PolarHBondContact O-N 3.34Å; P454-Y531 HydrophobicContact CB-CD1 4.41Å; P454-Y531 HydrophobicContact CB-CE1 4.07Å; Y531-V563 WeakPolarHBondContact CA-O 3.4Å; Y531-T564 HydrophobicContact CD1-CG2 3.36Å; Y531-T564 HydrophobicContact CE1-CG2 3.24Å; Y531-T564 HydrophobicContact CG-CG2 4.18Å
532I98.2Very high95.7Very high0 Ų043.7 Ų43.70%023%0.228CC..EExtended strand (participates in β ladder)trans-128.1140168-65.4-177.6000108.6E449 A450 Y461 I506 L509 L510 S562 V563E449-I532 CarbonylContact O-C 3.6Å; E449-I532 VanDerWaalsContact O-CA 3.32Å; E449-I532 WeakPolarHBondContact O-CA 3.14Å; A450-I532 HydrophobicContact CB-CG1 4.03Å; Y461-I532 HydrophobicContact CE2-CD1 3.81Å; Y461-I532 HydrophobicContact CE2-CG1 4.27Å; I506-I532 HydrophobicContact CD1-CG2 3.75Å; I506-I532 HydrophobicContact CG2-CB 4.19Å; I506-I532 HydrophobicContact CG2-CG2 4.15Å; L509-I532 HydrophobicContact CB-CD1 3.5Å; L509-I532 VanDerWaalsContact CB-CD1 3.5Å; L510-I532 HydrophobicContact CD2-CB 4.39Å; L510-I532 HydrophobicContact CD2-CD1 4.04Å; L510-I532 HydrophobicContact CD2-CG1 3.76Å; L510-I532 HydrophobicContact CG-CB 4.44Å; L510-I532 HydrophobicContact CG-CD1 3.74Å; L510-I532 HydrophobicContact CG-CG1 3.94Å; I532-S562 WeakPolarHBondContact O-CA 3.32Å; I532-V563 PolarHBondContact N-O 3.21Å; I532-V563 WeakPolarHBondContact O-CG2 3.44Å; I532-V563 PolarHBondContact O-N 3.17Å
533R97.3Very high95.6Very high57 Ų5746.9 Ų46.922%0.21524%0.242CC..EExtended strand (participates in β ladder)trans-132.5165.8169.669.1-175.4-178.5-172.30110.4E449 W458 H535E449-R533 HydrophobicContact CB-CG 3.99Å; E449-R533 PolarHBondContact N-O 2.74Å; E449-R533 PolarHBondContact O-N 3.11Å; E449-R533 IonicContact OE2-CZ 2.64Å; E449-R533 IonicContact OE2-NE 3.38Å; E449-R533 PolarHBondContact OE2-NE 3.11Å; E449-R533 IonicContact OE2-NH2 3.17Å; E449-R533 PolarHBondContact OE2-NH2 2.93Å; W458-R533 HydrophobicContact CE3-CG 3.94Å; W458-R533 HydrophobicContact CH2-CB 4.43Å; W458-R533 HydrophobicContact CH2-CG 4.12Å; W458-R533 HydrophobicContact CZ3-CB 4.21Å; W458-R533 HydrophobicContact CZ3-CG 3.66Å; R533-H535 VanDerWaalsContact CZ-CE1 3.41Å; R533-H535 PolarHBondContact NE-CE1 2.84Å; R533-H535 VanDerWaalsContact NE-CE1 3.26Å
534A98.2Very high95.4Very high0 Ų045.8 Ų45.80%023%0.234CC..EExtended strand (participates in β ladder)trans-129.7131.917400000110.8I447 L448 F502 Y559 L560I447-A534 WeakPolarHBondContact O-CA 3.34Å; L448-A534 HydrophobicContact CD2-CB 3.59Å; F502-A534 HydrophobicContact CE1-CB 4.5Å; F502-A534 HydrophobicContact CZ-CB 3.9Å; A534-Y559 HydrophobicContact CB-CD1 4.06Å; A534-Y559 WeakPolarHBondContact O-CA 3.38Å; A534-Y559 WeakPolarHBondContact O-CB 3.26Å; A534-Y559 PolarHBondContact O-N 3.41Å; A534-L560 HydrophobicContact CB-CB 3.81Å; A534-L560 PolarHBondContact N-O 2.78Å; A534-L560 PolarHBondContact O-N 2.8Å
535H98.1Very high95.1Very high18 Ų1851.1 Ų51.18%0.08325%0.254CS..EExtended strand (participates in β ladder)trans-114.4140.2176.5-71.1161000110.7I447 E449 R533 Y537 F555I447-H535 PolarHBondContact N-O 3.37Å; I447-H535 PolarHBondContact O-N 2.99Å; E449-H535 IonicContact OE1-ND1 3.21Å; E449-H535 PolarHBondContact OE1-ND1 3.43Å; E449-H535 IonicContact OE2-CE1 3.08Å; E449-H535 IonicContact OE2-ND1 2.66Å; E449-H535 PolarHBondContact OE2-ND1 3.35Å; R533-H535 VanDerWaalsContact CZ-CE1 3.41Å; R533-H535 PolarHBondContact NE-CE1 2.84Å; R533-H535 VanDerWaalsContact NE-CE1 3.26Å; H535-Y537 HydrophobicContact CB-CD2 4.06Å; H535-Y537 HydrophobicContact CB-CE2 3.56Å; H535-F555 HydrophobicContact CB-CD2 4.25Å; H535-F555 HydrophobicContact CB-CE2 3.89Å; H535-F555 AromaticContact CD2-CE2 3.85Å; H535-F555 AromaticContact CG-CE2 3.67Å; H535-F555 AromaticContact ND1-CE2 3.99Å
536L98.1Very high94.8Very high17 Ų1755.6 Ų55.69%0.08928%0.278CS..EExtended strand (participates in β ladder)trans-92.4121.7171.9-176.365000109P444 L446 A492 K556 S557P444-L536 HydrophobicContact CB-CD1 3.93Å; L446-L536 HydrophobicContact CD2-CB 4.28Å; L446-L536 HydrophobicContact CD2-CD1 3.82Å; A492-L536 HydrophobicContact CB-CD1 4.4Å; L536-K556 HydrophobicContact CD2-CD 3.94Å; L536-K556 HydrophobicContact CG-CB 4.48Å; L536-K556 HydrophobicContact CG-CD 4.37Å; L536-K556 WeakPolarHBondContact O-CA 3.49Å; L536-K556 WeakPolarHBondContact O-CB 3.31Å; L536-K556 PolarHBondContact O-N 2.94Å; L536-S557 PolarHBondContact N-O 2.87Å; L536-S557 PolarHBondContact O-N 3.12Å
537Y98.2Very high94.4Very high31 Ų3157.3 Ų57.312%0.12229%0.29CS..EExtended strand (participates in β ladder)trans-110.8158.9173.1-75-97.4000110.3P444 E445 I447 H535 Y539 R553 T554 F555P444-Y537 WeakPolarHBondContact CA-O 3.49Å; E445-Y537 PolarHBondContact N-O 3.45Å; E445-Y537 PolarHBondContact O-N 3.49Å; I447-Y537 HydrophobicContact CB-CD2 3.92Å; I447-Y537 HydrophobicContact CB-CE2 3.9Å; I447-Y537 HydrophobicContact CG1-CD2 3.49Å; I447-Y537 VanDerWaalsContact CG1-CD2 3.49Å; I447-Y537 HydrophobicContact CG1-CE2 3.87Å; I447-Y537 HydrophobicContact CG1-CG 4.28Å; I447-Y537 HydrophobicContact CG2-CE2 4.48Å; H535-Y537 HydrophobicContact CB-CD2 4.06Å; H535-Y537 HydrophobicContact CB-CE2 3.56Å; Y537-Y539 HydrophobicContact CG-CE2 4.37Å; Y537-R553 HydrophobicContact CD1-CB 4.21Å; Y537-R553 HydrophobicContact CD1-CG 3.95Å; Y537-R553 HydrophobicContact CE1-CG 4.38Å; Y537-T554 CarbonylContact C-O 3.51Å; Y537-T554 WeakPolarHBondContact CA-O 3.4Å; Y537-F555 HydrophobicContact CD1-CB 4.19Å; Y537-F555 HydrophobicContact CE1-CB 3.82Å; Y537-F555 HydrophobicContact CE1-CD2 4.28Å; Y537-F555 HydrophobicContact CE2-CD2 4.35Å
538T98Very high94.4Very high22 Ų2260.2 Ų60.214%0.13530%0.297CS..EExtended strand (participates in β ladder)trans-109.1122.7167.2-53.40000108.6R443 R553 T554R443-T538 CarbonylContact O-C 3.58Å; R443-T538 WeakPolarHBondContact O-CA 3.4Å; T538-R553 CarbonylContact O-C 3.17Å; T538-R553 VanDerWaalsContact O-CA 3.29Å; T538-R553 WeakPolarHBondContact O-CA 3.43Å; T538-T554 PolarHBondContact N-O 3.48Å; T538-T554 PolarHBondContact O-N 3.45Å
539Y97.7Very high94.5Very high0 Ų058 Ų580%029%0.285CS..EExtended strand (participates in β ladder)trans-104.6139.2-178.9-84.8-119.5000110.7R443 E445 I447 P467 G468 Y537 W551 K552 R553R443-Y539 PolarHBondContact N-O 2.84Å; R443-Y539 PolarHBondContact O-N 3.02Å; E445-Y539 HydrophobicContact CB-CD2 3.48Å; E445-Y539 VanDerWaalsContact CB-CD2 3.48Å; E445-Y539 HydrophobicContact CB-CE2 3.67Å; E445-Y539 HydrophobicContact CB-CG 4.18Å; E445-Y539 HydrophobicContact CG-CD2 4.1Å; E445-Y539 HydrophobicContact CG-CE2 3.91Å; I447-Y539 HydrophobicContact CD1-CE2 4.44Å; I447-Y539 WeakPolarHBondContact CD1-OH 3.23Å; P467-Y539 HydrophobicContact CB-CD1 4.4Å; G468-Y539 VanDerWaalsContact O-CE1 3.3Å; G468-Y539 WeakPolarHBondContact O-CE1 3.13Å; G468-Y539 PolarHBondContact O-OH 3.31Å; Y537-Y539 HydrophobicContact CG-CE2 4.37Å; Y539-W551 HydrophobicContact CD1-CB 3.75Å; Y539-W551 AromaticContact CD1-CD2 3.93Å; Y539-W551 HydrophobicContact CD1-CD2 3.93Å; Y539-W551 AromaticContact CD1-CE3 3.93Å; Y539-W551 HydrophobicContact CD1-CE3 3.93Å; Y539-W551 AromaticContact CD1-CG 3.88Å; Y539-W551 HydrophobicContact CD1-CG 3.88Å; Y539-W551 HydrophobicContact CE1-CB 4.15Å; Y539-W551 HydrophobicContact CE1-CG 4.38Å; Y539-W551 HydrophobicContact CG-CE3 4.4Å; Y539-K552 CarbonylContact C-O 3.59Å; Y539-K552 WeakPolarHBondContact CA-O 3.49Å; Y539-R553 HydrophobicContact CD1-CB 4.21Å; Y539-R553 HydrophobicContact CD2-CB 3.62Å; Y539-R553 HydrophobicContact CE1-CB 4.02Å; Y539-R553 HydrophobicContact CE2-CB 3.42Å; Y539-R553 VanDerWaalsContact CE2-CB 3.42Å; Y539-R553 HydrophobicContact CE2-CG 4.21Å; Y539-R553 HydrophobicContact CG-CB 4.02Å; Y539-R553 VanDerWaalsContact CZ-CD 3.43Å; Y539-R553 WeakPolarHBondContact OH-CD 3.27Å; Y539-R553 PolarHBondContact OH-NH1 2.96Å
540H97.2Very high94.5Very high57 Ų5760 Ų6026%0.26429%0.291SS..EExtended strand (participates in β ladder)trans-129.4147.9171.3-68.3-95.3000108.9G441 G442 W551 K552G441-H540 PolarHBondContact O-CE1 2.93Å; G441-H540 PolarHBondContact O-NE2 2.63Å; G442-H540 VanDerWaalsContact CA-CE1 3.44Å; G442-H540 WeakPolarHBondContact CA-CE1 3.4Å; H540-W551 CarbonylContact O-C 3.16Å; H540-W551 VanDerWaalsContact O-CA 3.27Å; H540-W551 WeakPolarHBondContact O-CA 3.24Å; H540-K552 PolarHBondContact N-O 3.43Å; H540-K552 PolarHBondContact O-N 3.23Å
541F97Very high94.5Very high4 Ų453.4 Ų53.42%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-61.9147.9163.6-73.9-41.8000110Q198 P203 A207 W208 H211 P474 W550 W551Q198-F541 HydrophobicContact CB-CD2 3.52Å; Q198-F541 HydrophobicContact CB-CE2 3.58Å; Q198-F541 HydrophobicContact CB-CG 4.13Å; Q198-F541 HydrophobicContact CB-CZ 4.26Å; P203-F541 HydrophobicContact CB-CZ 4.09Å; P203-F541 HydrophobicContact CG-CZ 4.24Å; A207-F541 HydrophobicContact CB-CE2 4.3Å; A207-F541 HydrophobicContact CB-CZ 4.2Å; W208-F541 HydrophobicContact CB-CD1 4.24Å; W208-F541 HydrophobicContact CB-CD2 4.4Å; W208-F541 HydrophobicContact CB-CE1 4.15Å; W208-F541 HydrophobicContact CB-CE2 4.35Å; W208-F541 HydrophobicContact CB-CG 4.36Å; W208-F541 HydrophobicContact CB-CZ 4.23Å; W208-F541 AromaticContact CD1-CD1 3.49Å; W208-F541 VanDerWaalsContact CD1-CD1 3.49Å; W208-F541 AromaticContact CD1-CG 3.56Å; W208-F541 HydrophobicContact CG-CB 4.44Å; W208-F541 HydrophobicContact CG-CD1 4.22Å; W208-F541 HydrophobicContact CG-CG 4.2Å; H211-F541 HydrophobicContact CB-CD2 3.67Å; H211-F541 HydrophobicContact CB-CE2 4.07Å; H211-F541 AromaticContact CD2-CD2 3.83Å; H211-F541 AromaticContact CG-CD2 3.75Å; P474-F541 HydrophobicContact CG-CE1 4.41Å; F541-W550 WeakPolarHBondContact CA-O 3.37Å; F541-W551 AromaticContact CD1-CD2 3.96Å; F541-W551 HydrophobicContact CD1-CD2 3.96Å; F541-W551 AromaticContact CD1-CE2 3.97Å; F541-W551 AromaticContact CD1-CE3 3.79Å; F541-W551 HydrophobicContact CD1-CE3 3.79Å; F541-W551 AromaticContact CD1-CH2 3.71Å; F541-W551 HydrophobicContact CD1-CH2 3.71Å; F541-W551 AromaticContact CD1-CZ2 3.88Å; F541-W551 HydrophobicContact CD1-CZ2 3.88Å; F541-W551 AromaticContact CD1-CZ3 3.66Å; F541-W551 HydrophobicContact CD1-CZ3 3.66Å; F541-W551 HydrophobicContact CE1-CD2 4.15Å; F541-W551 AromaticContact CE1-CE2 3.68Å; F541-W551 HydrophobicContact CE1-CE3 4.14Å; F541-W551 AromaticContact CE1-CH2 3.23Å; F541-W551 HydrophobicContact CE1-CH2 3.23Å; F541-W551 AromaticContact CE1-CZ2 3.21Å; F541-W551 HydrophobicContact CE1-CZ2 3.21Å; F541-W551 AromaticContact CE1-CZ3 3.72Å; F541-W551 HydrophobicContact CE1-CZ3 3.72Å; F541-W551 HydrophobicContact CG-CZ3 4.31Å; F541-W551 AromaticContact CZ-CH2 3.71Å; F541-W551 HydrophobicContact CZ-CH2 3.71Å; F541-W551 AromaticContact CZ-CZ2 3.96Å; F541-W551 HydrophobicContact CZ-CZ2 3.96Å; F541-W551 HydrophobicContact CZ-CZ3 4.36Å
542T96.7Very high94.5Very high16 Ų1657 Ų5710%0.09828%0.28CS..  trans-71.2143.2172.943.90000111W208 H212 D549 W550W208-T542 VanDerWaalsContact CE2-O 3.31Å; W208-T542 WeakPolarHBondContact CZ2-O 3.43Å; W208-T542 PolarHBondContact NE1-O 3.46Å; W208-T542 PolarHBondContact NE1-OG1 3.23Å; H212-T542 PolarHBondContact CE1-O 3.44Å; H212-T542 PolarHBondContact NE2-O 2.96Å; H212-T542 VanDerWaalsContact NE2-O 3.12Å; T542-D549 WeakPolarHBondContact CB-O 3.41Å; T542-D549 HydrophobicContact CG2-CB 4.16Å; T542-D549 VanDerWaalsContact CG2-O 3.22Å; T542-D549 WeakPolarHBondContact CG2-O 3.38Å; T542-D549 PolarHBondContact OG1-O 2.92Å; T542-W550 PolarHBondContact N-O 2.78Å; T542-W550 VanDerWaalsContact N-O 3.14Å; T542-W550 PolarHBondContact OG1-O 3.31Å
543D91.3Very high94.4Very high135 Ų13560.4 Ų60.472%0.72229%0.292SS*.SBendtrans-81.1-19.7-176-54.6-61.4000113.8
544S88Confident94.4Very high59 Ų5960.9 Ų60.941%0.41330%0.302SS..  trans-104.1131-172.8178.10000112.4D546 S547S544-D546 PolarHBondContact O-N 2.97Å; S544-D546 PolarHBondContact OG-N 2.91Å; S544-S547 VanDerWaalsContact O-CB 3.27Å; S544-S547 WeakPolarHBondContact O-CB 3.14Å; S544-S547 PolarHBondContact O-N 3.32Å
545F82.8Confident94.4Very high140 Ų14066.2 Ų66.261%0.61433%0.325SS*.THydrogen-bonded Turntrans-65.7-23.9172.8-69.6-94000113.3W208 Y209 S547W208-F545 HydrophobicContact CH2-CB 4.43Å; W208-F545 AromaticContact CH2-CD1 3.5Å; W208-F545 HydrophobicContact CH2-CD1 3.5Å; W208-F545 VanDerWaalsContact CH2-CD1 3.5Å; W208-F545 HydrophobicContact CH2-CD2 4.04Å; W208-F545 AromaticContact CH2-CE1 3.65Å; W208-F545 HydrophobicContact CH2-CE1 3.65Å; W208-F545 HydrophobicContact CH2-CE2 4.12Å; W208-F545 AromaticContact CH2-CG 3.72Å; W208-F545 HydrophobicContact CH2-CG 3.72Å; W208-F545 AromaticContact CH2-CZ 3.93Å; W208-F545 HydrophobicContact CH2-CZ 3.93Å; W208-F545 AromaticContact CZ3-CD1 3.51Å; W208-F545 HydrophobicContact CZ3-CD1 3.51Å; W208-F545 AromaticContact CZ3-CE1 3.32Å; W208-F545 HydrophobicContact CZ3-CE1 3.32Å; W208-F545 HydrophobicContact CZ3-CE2 4.49Å; W208-F545 HydrophobicContact CZ3-CG 4.22Å; W208-F545 AromaticContact CZ3-CZ 3.84Å; W208-F545 HydrophobicContact CZ3-CZ 3.84Å; Y209-F545 AromaticContact CD1-CE1 3.85Å; Y209-F545 HydrophobicContact CD1-CE1 3.85Å; Y209-F545 HydrophobicContact CE1-CD1 4.12Å; Y209-F545 AromaticContact CE1-CE1 3.77Å; Y209-F545 HydrophobicContact CE1-CE1 3.77Å; F545-S547 VanDerWaalsContact C-N 3.32Å
546D85.4Confident94.3Very high154 Ų15471.5 Ų71.582%0.82435%0.348SS*.THydrogen-bonded Turntrans-86.2-6.4179.3-62.1-39.4000112.6S544 K548S544-D546 PolarHBondContact O-N 2.97Å; S544-D546 PolarHBondContact OG-N 2.91Å; D546-K548 PolarHBondContact O-N 3.29Å
547S87.3Confident94.3Very high47 Ų4772.9 Ų72.933%0.32936%0.359SS..  trans-66.4131176.71780000110.6S544 F545 D549S544-S547 VanDerWaalsContact O-CB 3.27Å; S544-S547 WeakPolarHBondContact O-CB 3.14Å; S544-S547 PolarHBondContact O-N 3.32Å; F545-S547 VanDerWaalsContact C-N 3.32Å; S547-D549 WeakPolarHBondContact CB-O 3.2Å; S547-D549 PolarHBondContact O-N 3.1Å; S547-D549 PolarHBondContact OG-N 2.94Å; S547-D549 PolarHBondContact OG-O 3.16Å
548K89.8Confident94.2Very high192 Ų19276.6 Ų76.684%0.83538%0.377SS*.SBendtrans-69.3-21.6167.9-65.7-175.4-179.2179.10112.2D546D546-K548 PolarHBondContact O-N 3.29Å
549D95.2Very high94.2Very high62 Ų6276.4 Ų76.433%0.33237%0.374SS..  trans-90.8137.7177.6-65.2-33.7000111.3V470 N471 T542 S547V470-D549 HydrophobicContact CB-CB 4.43Å; N471-D549 WeakPolarHBondContact CA-OD1 3.3Å; N471-D549 VanDerWaalsContact CB-OD1 3.26Å; N471-D549 WeakPolarHBondContact CB-OD1 3.11Å; N471-D549 PolarHBondContact N-OD1 3.31Å; T542-D549 WeakPolarHBondContact CB-O 3.41Å; T542-D549 HydrophobicContact CG2-CB 4.16Å; T542-D549 VanDerWaalsContact CG2-O 3.22Å; T542-D549 WeakPolarHBondContact CG2-O 3.38Å; T542-D549 PolarHBondContact OG1-O 2.92Å; S547-D549 WeakPolarHBondContact CB-O 3.2Å; S547-D549 PolarHBondContact O-N 3.1Å; S547-D549 PolarHBondContact OG-N 2.94Å; S547-D549 PolarHBondContact OG-O 3.16Å
550W95.7Very high94.2Very high48 Ų4876.4 Ų76.418%0.18237%0.374CS..SBendtrans-87.9-24.9173.2-70.981.3000112.1P205 W208 Y209 V470 T473 P474 F541 T542P205-W550 HydrophobicContact CB-CH2 4.2Å; P205-W550 HydrophobicContact CB-CZ3 4.36Å; W208-W550 HydrophobicContact CB-CE3 3.88Å; W208-W550 HydrophobicContact CB-CZ3 3.78Å; W208-W550 AromaticContact CD1-CE3 3.88Å; W208-W550 HydrophobicContact CD2-CE3 4.47Å; W208-W550 HydrophobicContact CD2-CZ3 4.37Å; W208-W550 AromaticContact CG-CE3 3.81Å; W208-W550 HydrophobicContact CG-CE3 3.81Å; W208-W550 AromaticContact CG-CZ3 3.94Å; W208-W550 HydrophobicContact CG-CZ3 3.94Å; Y209-W550 HydrophobicContact CE2-CH2 4.39Å; V470-W550 PolarHBondContact O-N 2.9Å; T473-W550 HydrophobicContact CG2-CD2 4.46Å; T473-W550 HydrophobicContact CG2-CH2 4.11Å; T473-W550 HydrophobicContact CG2-CZ2 3.61Å; T473-W550 PolarHBondContact OG1-NE1 3.34Å; P474-W550 HydrophobicContact CG-CE3 4.38Å; F541-W550 WeakPolarHBondContact CA-O 3.37Å; T542-W550 PolarHBondContact N-O 2.78Å; T542-W550 VanDerWaalsContact N-O 3.14Å; T542-W550 PolarHBondContact OG1-O 3.31Å
551W97.3Very high94.1Very high4 Ų475.9 Ų75.92%0.01538%0.376CS..EExtended strand (participates in β ladder)trans-127.9143.5-176.1-60.393000112.1Q198 P203 P467 V470 P474 Y539 H540 F541Q198-W551 HydrophobicContact CB-CH2 4.44Å; Q198-W551 HydrophobicContact CB-CZ3 4.17Å; P203-W551 HydrophobicContact CG-CH2 3.97Å; P203-W551 HydrophobicContact CG-CZ2 3.69Å; P467-W551 HydrophobicContact CB-CZ2 4.07Å; P467-W551 HydrophobicContact CG-CH2 4.15Å; P467-W551 HydrophobicContact CG-CZ2 3.61Å; V470-W551 HydrophobicContact CB-CB 4.43Å; V470-W551 VanDerWaalsContact CB-O 3.26Å; V470-W551 WeakPolarHBondContact CB-O 3.31Å; V470-W551 HydrophobicContact CG1-CB 4.32Å; V470-W551 WeakPolarHBondContact CG1-O 3.29Å; V470-W551 PolarHBondContact O-N 3.42Å; V470-W551 VanDerWaalsContact O-N 3.13Å; P474-W551 HydrophobicContact CG-CZ2 4.49Å; Y539-W551 HydrophobicContact CD1-CB 3.75Å; Y539-W551 AromaticContact CD1-CD2 3.93Å; Y539-W551 HydrophobicContact CD1-CD2 3.93Å; Y539-W551 AromaticContact CD1-CE3 3.93Å; Y539-W551 HydrophobicContact CD1-CE3 3.93Å; Y539-W551 AromaticContact CD1-CG 3.88Å; Y539-W551 HydrophobicContact CD1-CG 3.88Å; Y539-W551 HydrophobicContact CE1-CB 4.15Å; Y539-W551 HydrophobicContact CE1-CG 4.38Å; Y539-W551 HydrophobicContact CG-CE3 4.4Å; H540-W551 CarbonylContact O-C 3.16Å; H540-W551 VanDerWaalsContact O-CA 3.27Å; H540-W551 WeakPolarHBondContact O-CA 3.24Å; F541-W551 AromaticContact CD1-CD2 3.96Å; F541-W551 HydrophobicContact CD1-CD2 3.96Å; F541-W551 AromaticContact CD1-CE2 3.97Å; F541-W551 AromaticContact CD1-CE3 3.79Å; F541-W551 HydrophobicContact CD1-CE3 3.79Å; F541-W551 AromaticContact CD1-CH2 3.71Å; F541-W551 HydrophobicContact CD1-CH2 3.71Å; F541-W551 AromaticContact CD1-CZ2 3.88Å; F541-W551 HydrophobicContact CD1-CZ2 3.88Å; F541-W551 AromaticContact CD1-CZ3 3.66Å; F541-W551 HydrophobicContact CD1-CZ3 3.66Å; F541-W551 HydrophobicContact CE1-CD2 4.15Å; F541-W551 AromaticContact CE1-CE2 3.68Å; F541-W551 HydrophobicContact CE1-CE3 4.14Å; F541-W551 AromaticContact CE1-CH2 3.23Å; F541-W551 HydrophobicContact CE1-CH2 3.23Å; F541-W551 AromaticContact CE1-CZ2 3.21Å; F541-W551 HydrophobicContact CE1-CZ2 3.21Å; F541-W551 AromaticContact CE1-CZ3 3.72Å; F541-W551 HydrophobicContact CE1-CZ3 3.72Å; F541-W551 HydrophobicContact CG-CZ3 4.31Å; F541-W551 AromaticContact CZ-CH2 3.71Å; F541-W551 HydrophobicContact CZ-CH2 3.71Å; F541-W551 AromaticContact CZ-CZ2 3.96Å; F541-W551 HydrophobicContact CZ-CZ2 3.96Å; F541-W551 HydrophobicContact CZ-CZ3 4.36Å
552K96.2Very high94.1Very high134 Ų13478.5 Ų78.558%0.58340%0.395SS*.EExtended strand (participates in β ladder)trans-104.1133.6158.3177.7178.2178.6179.20108Y539 H540Y539-K552 CarbonylContact C-O 3.59Å; Y539-K552 WeakPolarHBondContact CA-O 3.49Å; H540-K552 PolarHBondContact N-O 3.43Å; H540-K552 PolarHBondContact O-N 3.23Å
553R96.7Very high94.2Very high72 Ų7277.9 Ų77.927%0.27239%0.391SS..EExtended strand (participates in β ladder)trans-121.1140.9174.275-176.2-175.3179.3-0.7111.8E460 V470 Y537 T538 Y539E460-R553 IonicContact OE1-CZ 2.75Å; E460-R553 VanDerWaalsContact OE1-CZ 3.29Å; E460-R553 IonicContact OE1-NH1 2.69Å; E460-R553 PolarHBondContact OE1-NH1 2.87Å; E460-R553 VanDerWaalsContact OE1-NH1 3.09Å; E460-R553 IonicContact OE1-NH2 3.82Å; E460-R553 PolarHBondContact OE1-NH2 3.42Å; E460-R553 IonicContact OE2-CZ 3.87Å; E460-R553 IonicContact OE2-NH1 2.59Å; E460-R553 PolarHBondContact OE2-NH1 2.86Å; E460-R553 IonicContact OE2-NH2 3.49Å; V470-R553 HydrophobicContact CG1-CB 4.5Å; V470-R553 HydrophobicContact CG1-CG 4.08Å; Y537-R553 HydrophobicContact CD1-CB 4.21Å; Y537-R553 HydrophobicContact CD1-CG 3.95Å; Y537-R553 HydrophobicContact CE1-CG 4.38Å; T538-R553 CarbonylContact O-C 3.17Å; T538-R553 VanDerWaalsContact O-CA 3.29Å; T538-R553 WeakPolarHBondContact O-CA 3.43Å; Y539-R553 HydrophobicContact CD1-CB 4.21Å; Y539-R553 HydrophobicContact CD2-CB 3.62Å; Y539-R553 HydrophobicContact CE1-CB 4.02Å; Y539-R553 HydrophobicContact CE2-CB 3.42Å; Y539-R553 VanDerWaalsContact CE2-CB 3.42Å; Y539-R553 HydrophobicContact CE2-CG 4.21Å; Y539-R553 HydrophobicContact CG-CB 4.02Å; Y539-R553 VanDerWaalsContact CZ-CD 3.43Å; Y539-R553 WeakPolarHBondContact OH-CD 3.27Å; Y539-R553 PolarHBondContact OH-NH1 2.96Å
554T97.8Very high94.4Very high66 Ų6672.5 Ų72.541%0.40536%0.363SS..EExtended strand (participates in β ladder)trans-123.9131.8173.856.10000109.3Y537 T538 K556Y537-T554 CarbonylContact C-O 3.51Å; Y537-T554 WeakPolarHBondContact CA-O 3.4Å; T538-T554 PolarHBondContact N-O 3.48Å; T538-T554 PolarHBondContact O-N 3.45Å; T554-K556 PolarHBondContact O-N 2.98Å
555F98Very high94.8Very high112 Ų11273.3 Ų73.349%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-59.8136.9174.2177.6-97.9000109.7H535 Y537H535-F555 HydrophobicContact CB-CD2 4.25Å; H535-F555 HydrophobicContact CB-CE2 3.89Å; H535-F555 AromaticContact CD2-CE2 3.85Å; H535-F555 AromaticContact CG-CE2 3.67Å; H535-F555 AromaticContact ND1-CE2 3.99Å; Y537-F555 HydrophobicContact CD1-CB 4.19Å; Y537-F555 HydrophobicContact CE1-CB 3.82Å; Y537-F555 HydrophobicContact CE1-CD2 4.28Å; Y537-F555 HydrophobicContact CE2-CD2 4.35Å
556K96.8Very high95.4Very high129 Ų12971.6 Ų71.656%0.56137%0.367SS*.EExtended strand (participates in β ladder)trans-114-54.4179.3-177.8175.3179176.50111.6L536 T554L536-K556 HydrophobicContact CD2-CD 3.94Å; L536-K556 HydrophobicContact CG-CB 4.48Å; L536-K556 HydrophobicContact CG-CD 4.37Å; L536-K556 WeakPolarHBondContact O-CA 3.49Å; L536-K556 WeakPolarHBondContact O-CB 3.31Å; L536-K556 PolarHBondContact O-N 2.94Å; T554-K556 PolarHBondContact O-N 2.98Å
557S97.2Very high95.9Very high46 Ų4665.6 Ų65.632%0.32234%0.338SS..EExtended strand (participates in β ladder)trans-162161.8-179.365.50000111.7L536L536-S557 PolarHBondContact N-O 2.87Å; L536-S557 PolarHBondContact O-N 3.12Å
558E97.2Very high96.2Very high110 Ų11069.5 Ų69.551%0.51435%0.351SS..EExtended strand (participates in β ladder)trans-66.4134.6161.6-169.5178.175.300109.4P561E558-P561 WeakPolarHBondContact OE1-CB 3.25Å
559Y97.5Very high96.5Very high18 Ų1864.6 Ų64.67%0.07133%0.333CS..EExtended strand (participates in β ladder)trans-104.4-46.5178.8-174.9-100.1000111.3L446 A491 T494 N495 Y496 F502 A534L446-Y559 HydrophobicContact CD1-CD1 4.18Å; L446-Y559 HydrophobicContact CD1-CE1 3.72Å; L446-Y559 HydrophobicContact CD1-CE2 4.33Å; L446-Y559 HydrophobicContact CD2-CD1 3.69Å; L446-Y559 HydrophobicContact CD2-CD2 3.54Å; L446-Y559 HydrophobicContact CD2-CE1 4Å; L446-Y559 HydrophobicContact CD2-CE2 3.86Å; L446-Y559 HydrophobicContact CD2-CG 3.42Å; L446-Y559 VanDerWaalsContact CD2-CG 3.42Å; A491-Y559 PolarHBondContact O-OH 2.92Å; T494-Y559 WeakPolarHBondContact O-CE2 3.25Å; T494-Y559 PolarHBondContact O-OH 2.87Å; N495-Y559 VanDerWaalsContact C-OH 3.25Å; Y496-Y559 WeakPolarHBondContact CA-OH 3.36Å; Y496-Y559 VanDerWaalsContact CB-CE1 3.49Å; Y496-Y559 HydrophobicContact CD1-CD1 4.36Å; Y496-Y559 HydrophobicContact CD1-CE1 4.3Å; Y496-Y559 WeakPolarHBondContact CD1-O 3.33Å; Y496-Y559 WeakPolarHBondContact CE1-O 3.37Å; Y496-Y559 HydrophobicContact CG-CE1 4.39Å; Y496-Y559 VanDerWaalsContact N-CZ 3.33Å; Y496-Y559 PolarHBondContact N-OH 2.7Å; F502-Y559 HydrophobicContact CD1-CE1 4.49Å; F502-Y559 HydrophobicContact CE1-CD1 4.24Å; F502-Y559 HydrophobicContact CE1-CE1 4Å; F502-Y559 HydrophobicContact CE2-CE1 4.46Å; F502-Y559 HydrophobicContact CZ-CD1 4.14Å; F502-Y559 AromaticContact CZ-CE1 3.99Å; F502-Y559 HydrophobicContact CZ-CE1 3.99Å; A534-Y559 HydrophobicContact CB-CD1 4.06Å; A534-Y559 WeakPolarHBondContact O-CA 3.38Å; A534-Y559 WeakPolarHBondContact O-CB 3.26Å; A534-Y559 PolarHBondContact O-N 3.41Å
560L97.4Very high96.5Very high0 Ų061.6 Ų61.60%032%0.317CS..EExtended strand (participates in β ladder)trans-132.8123.9170.9-178.375.8000107.5Y496 F502 M503 I506 A534 V563Y496-L560 HydrophobicContact CD1-CD1 4.24Å; Y496-L560 HydrophobicContact CD2-CD1 4.21Å; Y496-L560 HydrophobicContact CE1-CD1 4.02Å; Y496-L560 HydrophobicContact CE2-CD1 3.97Å; Y496-L560 HydrophobicContact CG-CD1 4.35Å; F502-L560 HydrophobicContact CE1-CB 4.42Å; F502-L560 HydrophobicContact CE1-CD2 4.11Å; M503-L560 HydrophobicContact CE-CD1 4.31Å; M503-L560 HydrophobicContact SD-CD1 4.03Å; M503-L560 HydrophobicContact SD-CD2 4.46Å; I506-L560 HydrophobicContact CD1-CD2 4.28Å; I506-L560 HydrophobicContact CG1-CD2 3.94Å; I506-L560 HydrophobicContact CG2-CD2 4.4Å; A534-L560 HydrophobicContact CB-CB 3.81Å; A534-L560 PolarHBondContact N-O 2.78Å; A534-L560 PolarHBondContact O-N 2.8Å; L560-V563 HydrophobicContact CD2-CG2 3.97Å
561P95.9Very high96.5Very high45 Ų4565.5 Ų65.529%0.29233%0.332SS..EExtended strand (participates in β ladder)trans-61.7167.517426.7-35.1000111.4E558 V563E558-P561 WeakPolarHBondContact OE1-CB 3.25Å; P561-V563 PolarHBondContact O-N 2.83Å; P561-V563 VanDerWaalsContact O-N 3.14Å
562S96.6Very high96.4Very high59 Ų5968.5 Ų68.541%0.41335%0.348SS..EExtended strand (participates in β ladder)trans-59.1120175.962.50000111.1I532I532-S562 WeakPolarHBondContact O-CA 3.32Å
563V97.3Very high96.3Very high3 Ų363 Ų632%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-119.6150.9176.1-64.80000111I506 Y531 I532 L560 P561I506-V563 HydrophobicContact CG2-CG2 3.72Å; Y531-V563 WeakPolarHBondContact CA-O 3.4Å; I532-V563 PolarHBondContact N-O 3.21Å; I532-V563 WeakPolarHBondContact O-CG2 3.44Å; I532-V563 PolarHBondContact O-N 3.17Å; L560-V563 HydrophobicContact CD2-CG2 3.97Å; P561-V563 PolarHBondContact O-N 2.83Å; P561-V563 VanDerWaalsContact O-N 3.14Å
564T97.4Very high96.2Very high22 Ų2259.6 Ų59.614%0.13532%0.315CS..  trans-116.8170.8173.162.90000109.4K530 Y531 S566 S567 L570K530-T564 WeakPolarHBondContact O-CG2 3.32Å; Y531-T564 HydrophobicContact CD1-CG2 3.36Å; Y531-T564 HydrophobicContact CE1-CG2 3.24Å; Y531-T564 HydrophobicContact CG-CG2 4.18Å; T564-S566 PolarHBondContact O-N 3.34Å; T564-S566 VanDerWaalsContact O-N 3.15Å; T564-S566 PolarHBondContact OG1-N 2.82Å; T564-S566 PolarHBondContact OG1-OG 2.7Å; T564-S567 PolarHBondContact N-OG 3.39Å; T564-S567 VanDerWaalsContact O-CB 3.28Å; T564-S567 WeakPolarHBondContact O-CB 3.05Å; T564-S567 PolarHBondContact O-N 3.02Å; T564-S567 PolarHBondContact O-OG 3.42Å; T564-S567 PolarHBondContact OG1-N 2.88Å; T564-S567 PolarHBondContact OG1-OG 3.25Å; T564-L570 WeakPolarHBondContact O-CD2 3.21Å
565L96.1Very high96Very high77 Ų7760.8 Ų60.840%0.40332%0.316SS..THydrogen-bonded Turntrans-58.5-25.7172.3-69.5174.7000113.6Y507 L510 N511Y507-L565 HydrophobicContact CD2-CD2 3.89Å; Y507-L565 HydrophobicContact CE2-CD2 3.94Å; L510-L565 HydrophobicContact CB-CD2 3.55Å; L510-L565 HydrophobicContact CB-CG 3.9Å; L510-L565 HydrophobicContact CD1-CD2 4.09Å; L510-L565 HydrophobicContact CD1-CG 4.32Å; L510-L565 HydrophobicContact CG-CD2 4.45Å; N511-L565 WeakPolarHBondContact ND2-CD2 3.4Å
566S94.2Very high95.7Very high103 Ų10363.6 Ų63.672%0.7233%0.33SS*.THydrogen-bonded Turntrans-89.3-5.5177.856.30000114T564 E568T564-S566 PolarHBondContact O-N 3.34Å; T564-S566 VanDerWaalsContact O-N 3.15Å; T564-S566 PolarHBondContact OG1-N 2.82Å; T564-S566 PolarHBondContact OG1-OG 2.7Å; S566-E568 PolarHBondContact O-N 3.4Å
567S96Very high95.5Very high29 Ų2959.3 Ų59.320%0.20331%0.313CS..  trans-66.9126.7-179.2-66.10000110.8T564 I569 L570 R571T564-S567 PolarHBondContact N-OG 3.39Å; T564-S567 VanDerWaalsContact O-CB 3.28Å; T564-S567 WeakPolarHBondContact O-CB 3.05Å; T564-S567 PolarHBondContact O-N 3.02Å; T564-S567 PolarHBondContact O-OG 3.42Å; T564-S567 PolarHBondContact OG1-N 2.88Å; T564-S567 PolarHBondContact OG1-OG 3.25Å; S567-I569 VanDerWaalsContact C-N 3.29Å; S567-I569 PolarHBondContact O-N 2.63Å; S567-L570 PolarHBondContact O-N 2.98Å; S567-R571 PolarHBondContact O-N 2.82Å
568E94.9Very high95.1Very high128 Ų12857.5 Ų57.560%0.59830%0.302SS*.Hα-helixtrans-57.7-40.7-176.1-178.3171.8-165.900112.6S566 L570 R571 N572S566-E568 PolarHBondContact O-N 3.4Å; E568-L570 VanDerWaalsContact C-N 3.28Å; E568-L570 PolarHBondContact O-N 2.88Å; E568-R571 PolarHBondContact O-N 3.37Å; E568-N572 VanDerWaalsContact CG-ND2 3.3Å; E568-N572 WeakPolarHBondContact CG-ND2 3.36Å; E568-N572 VanDerWaalsContact O-CB 3.29Å; E568-N572 WeakPolarHBondContact O-CB 3.48Å; E568-N572 PolarHBondContact O-N 2.79Å; E568-N572 PolarHBondContact O-OD1 2.86Å
569I94.6Very high94.8Very high89 Ų8953.5 Ų53.546%0.45628%0.284SS..Hα-helixtrans-57.9-41.5177.3-59.9173.2000111.4M503 S567 A573M503-I569 HydrophobicContact CE-CG2 4.15Å; S567-I569 VanDerWaalsContact C-N 3.29Å; S567-I569 PolarHBondContact O-N 2.63Å; I569-A573 WeakPolarHBondContact O-CB 3.45Å; I569-A573 PolarHBondContact O-N 3.16Å
570L96.2Very high94.3Very high0 Ų055.1 Ų55.10%030%0.296CS..Hα-helixtrans-73.3-48.4179.8-178.964.2000110.8M503 I506 Y507 L510 T564 S567 E568 N572 A573 V574M503-L570 HydrophobicContact CB-CD1 4.45Å; M503-L570 HydrophobicContact CE-CB 4.21Å; M503-L570 HydrophobicContact CE-CD1 3.68Å; M503-L570 WeakPolarHBondContact O-CD1 3.31Å; I506-L570 HydrophobicContact CB-CD1 4.28Å; I506-L570 HydrophobicContact CG2-CD1 4.21Å; Y507-L570 HydrophobicContact CD2-CD2 4.38Å; L510-L570 HydrophobicContact CD1-CD2 3.51Å; T564-L570 WeakPolarHBondContact O-CD2 3.21Å; S567-L570 PolarHBondContact O-N 2.98Å; E568-L570 VanDerWaalsContact C-N 3.28Å; E568-L570 PolarHBondContact O-N 2.88Å; L570-N572 PolarHBondContact O-N 3.37Å; L570-A573 PolarHBondContact O-N 3Å; L570-V574 HydrophobicContact CD1-CG2 3.99Å; L570-V574 HydrophobicContact CG-CG2 4.34Å; L570-V574 WeakPolarHBondContact O-CB 3.2Å; L570-V574 WeakPolarHBondContact O-CG2 3.44Å; L570-V574 PolarHBondContact O-N 3.42Å
571R94.8Very high93.1Very high130 Ų13058.9 Ų58.949%0.49134%0.335SS..Hα-helixtrans-59.7-49.2-178.6-171.6-175.366.9-176.8-1.4111.4S567 E568 A573 V574 E575S567-R571 PolarHBondContact O-N 2.82Å; E568-R571 PolarHBondContact O-N 3.37Å; R571-A573 PolarHBondContact O-N 3.27Å; R571-V574 PolarHBondContact O-N 2.81Å; R571-E575 HydrophobicContact CG-CG 4.43Å; R571-E575 VanDerWaalsContact CG-OE1 3.32Å; R571-E575 WeakPolarHBondContact CG-OE1 3.38Å; R571-E575 IonicContact NE-OE1 2.85Å; R571-E575 WeakPolarHBondContact O-CB 3.32Å; R571-E575 WeakPolarHBondContact O-CG 3.44Å; R571-E575 PolarHBondContact O-N 3.27Å
572N94.9Very high91.8Very high66 Ų6662.4 Ų62.435%0.35335%0.345SS..Hα-helixtrans-62-43.1-178.7-65.8-1.6000111.2E568 L570 V574 E575 E576E568-N572 VanDerWaalsContact CG-ND2 3.3Å; E568-N572 WeakPolarHBondContact CG-ND2 3.36Å; E568-N572 VanDerWaalsContact O-CB 3.29Å; E568-N572 WeakPolarHBondContact O-CB 3.48Å; E568-N572 PolarHBondContact O-N 2.79Å; E568-N572 PolarHBondContact O-OD1 2.86Å; L570-N572 PolarHBondContact O-N 3.37Å; N572-V574 PolarHBondContact O-N 3.38Å; N572-E575 PolarHBondContact O-N 2.87Å; N572-E576 VanDerWaalsContact O-CB 3.3Å; N572-E576 WeakPolarHBondContact O-CB 3.47Å; N572-E576 PolarHBondContact O-N 3.47Å
573A94.8Very high90.1Very high18 Ų1870.4 Ų70.415%0.14937%0.366CS..Hα-helixtrans-64.5-41178.200000112.7M503 I569 L570 R571 N577M503-A573 HydrophobicContact CB-CB 3.85Å; M503-A573 HydrophobicContact CE-CB 4.3Å; M503-A573 HydrophobicContact CG-CB 3.85Å; I569-A573 WeakPolarHBondContact O-CB 3.45Å; I569-A573 PolarHBondContact O-N 3.16Å; L570-A573 PolarHBondContact O-N 3Å; R571-A573 PolarHBondContact O-N 3.27Å; A573-N577 VanDerWaalsContact O-CB 3.31Å; A573-N577 WeakPolarHBondContact O-CB 3.33Å; A573-N577 PolarHBondContact O-N 2.97Å; A573-N577 PolarHBondContact O-ND2 3Å; A573-N577 VanDerWaalsContact O-ND2 3.15Å
574V94.5Very high88.6Confident2 Ų278.1 Ų78.11%0.01240%0.395CS..Hα-helixtrans-70.5-36.4-179.5168.30000111.6Y507 L570 R571 N572 G578 L579 V580Y507-V574 HydrophobicContact CD1-CG1 4.34Å; Y507-V574 HydrophobicContact CD2-CG1 4.14Å; Y507-V574 HydrophobicContact CD2-CG2 4.08Å; Y507-V574 HydrophobicContact CE2-CG1 4.32Å; Y507-V574 HydrophobicContact CG-CG1 4.14Å; Y507-V574 HydrophobicContact CG-CG2 3.95Å; L570-V574 HydrophobicContact CD1-CG2 3.99Å; L570-V574 HydrophobicContact CG-CG2 4.34Å; L570-V574 WeakPolarHBondContact O-CB 3.2Å; L570-V574 WeakPolarHBondContact O-CG2 3.44Å; L570-V574 PolarHBondContact O-N 3.42Å; R571-V574 PolarHBondContact O-N 2.81Å; N572-V574 PolarHBondContact O-N 3.38Å; V574-G578 PolarHBondContact O-N 2.65Å; V574-L579 HydrophobicContact CG1-CB 3.73Å; V574-L579 HydrophobicContact CG1-CD2 3.77Å; V574-L579 HydrophobicContact CG1-CG 4.19Å; V574-L579 HydrophobicContact CG2-CD2 4.47Å; V574-L579 WeakPolarHBondContact O-CB 3.39Å; V574-L579 PolarHBondContact O-N 3.28Å; V574-V580 HydrophobicContact CG1-CB 3.94Å; V574-V580 HydrophobicContact CG1-CG2 3.43Å; V574-V580 VanDerWaalsContact CG1-CG2 3.43Å; V574-V580 PolarHBondContact O-N 2.81Å
575E93.5Very high87.2Confident91 Ų9181.7 Ų81.743%0.42542%0.419SS..Hα-helixtrans-68.5-45.1172.5-73.8174.3-176.900111.7R571 N572 N577 G578R571-E575 HydrophobicContact CG-CG 4.43Å; R571-E575 VanDerWaalsContact CG-OE1 3.32Å; R571-E575 WeakPolarHBondContact CG-OE1 3.38Å; R571-E575 IonicContact NE-OE1 2.85Å; R571-E575 WeakPolarHBondContact O-CB 3.32Å; R571-E575 WeakPolarHBondContact O-CG 3.44Å; R571-E575 PolarHBondContact O-N 3.27Å; N572-E575 PolarHBondContact O-N 2.87Å; E575-N577 VanDerWaalsContact C-N 3.29Å; E575-N577 PolarHBondContact O-N 3.28Å; E575-G578 WeakPolarHBondContact O-CA 3.41Å; E575-G578 PolarHBondContact O-N 3.38Å
576E92.6Very high85.7Confident170 Ų17088.3 Ų88.379%0.79444%0.438SS*.Hα-helixtrans-59.7-40.7175.5-175.2178.6-175.900111.5N572 G578N572-E576 VanDerWaalsContact O-CB 3.3Å; N572-E576 WeakPolarHBondContact O-CB 3.47Å; N572-E576 PolarHBondContact O-N 3.47Å; E576-G578 PolarHBondContact O-N 3.11Å
577N92.1Very high84.3Confident39 Ų3989.2 Ų89.221%0.20944%0.442CS..THydrogen-bonded Turntrans-70.1-8.1174.4-68-19.2000113.6P500 N504 A573 E575 L579P500-N577 WeakPolarHBondContact CB-OD1 3.36Å; P500-N577 PolarHBondContact O-ND2 2.77Å; N504-N577 PolarHBondContact OD1-ND2 3.45Å; A573-N577 VanDerWaalsContact O-CB 3.31Å; A573-N577 WeakPolarHBondContact O-CB 3.33Å; A573-N577 PolarHBondContact O-N 2.97Å; A573-N577 PolarHBondContact O-ND2 3Å; A573-N577 VanDerWaalsContact O-ND2 3.15Å; E575-N577 VanDerWaalsContact C-N 3.29Å; E575-N577 PolarHBondContact O-N 3.28Å; N577-L579 PolarHBondContact O-N 2.98Å
578G89.3Confident83.3Confident9 Ų992.5 Ų92.59%0.09345%0.454CS..THydrogen-bonded Turntrans67.919.9-177.200000114.1V574 E575 E576V574-G578 PolarHBondContact O-N 2.65Å; E575-G578 WeakPolarHBondContact O-CA 3.41Å; E575-G578 PolarHBondContact O-N 3.38Å; E576-G578 PolarHBondContact O-N 3.11Å
579L90.4Very high82.4Confident25 Ų2593.3 Ų93.313%0.13146%0.462CS..SBendtrans-73.1-34.4176.1-167.378.3000110.8P43 N504 Y507 V574 N577P43-L579 HydrophobicContact CG-CD1 3.57Å; N504-L579 HydrophobicContact CB-CD1 4.49Å; N504-L579 HydrophobicContact CB-CD2 3.87Å; Y507-L579 HydrophobicContact CD1-CD2 3.59Å; Y507-L579 HydrophobicContact CE1-CD2 4.17Å; Y507-L579 HydrophobicContact CG-CD2 4.25Å; V574-L579 HydrophobicContact CG1-CB 3.73Å; V574-L579 HydrophobicContact CG1-CD2 3.77Å; V574-L579 HydrophobicContact CG1-CG 4.19Å; V574-L579 HydrophobicContact CG2-CD2 4.47Å; V574-L579 WeakPolarHBondContact O-CB 3.39Å; V574-L579 PolarHBondContact O-N 3.28Å; N577-L579 PolarHBondContact O-N 2.98Å
580V86.7Confident81.8Confident52 Ų5293.4 Ų93.432%0.31547%0.469SS..SBendtrans-120.7147.6173.61770000108.9Y507 V574Y507-V580 HydrophobicContact CE1-CG2 4.13Å; Y507-V580 HydrophobicContact CE2-CG2 4.36Å; V574-V580 HydrophobicContact CG1-CB 3.94Å; V574-V580 HydrophobicContact CG1-CG2 3.43Å; V574-V580 VanDerWaalsContact CG1-CG2 3.43Å; V574-V580 PolarHBondContact O-N 2.81Å
581G71.6Confident81.5Confident79 Ų7994.7 Ų94.781%0.81448%0.476SS*.SBendtrans95.4-19.917500000116.1
582K68.8Low81.4Confident119 Ų11995.7 Ų95.752%0.51749%0.49SS..SBendtrans-77.1131.4171.2-72-173179179.20111T46 R584T46-K582 PolarHBondContact O-NZ 3.41Å; K582-R584 PolarHBondContact O-N 3.5Å
583R61.4Low81.3Confident227 Ų22795.6 Ų95.686%0.85749%0.491SS*.PPolyproline II helixtrans-60.8120.6173.6-170.8177.7-174.5177.73.5109
584R65.7Low81.2Confident166 Ų16695.4 Ų95.463%0.62649%0.489SS*.PPolyproline II helixtrans-65132.2176.5-62.8176.3-177.4-169.88.9109.1E38 K582E38-R584 WeakPolarHBondContact OE1-CD 3.36Å; E38-R584 IonicContact OE1-CZ 2.73Å; E38-R584 IonicContact OE1-NE 2.67Å; E38-R584 PolarHBondContact OE1-NE 3.41Å; E38-R584 IonicContact OE1-NH1 3.82Å; E38-R584 PolarHBondContact OE1-NH1 2.83Å; K582-R584 PolarHBondContact O-N 3.5Å
585P67.8Low81.2Confident96 Ų9698.7 Ų98.762%0.62351%0.507SS*.PPolyproline II helixtrans-58.7148169.423.7-29.7000109.1
586R64.6Low81.4Confident217 Ų217100.3 Ų100.382%0.81951%0.512SS*.PPolyproline II helixtrans-60.5134.6175.1-74.6-176177.1174.5-0.9108.5H588R586-H588 PolarHBondContact O-N 3.34Å
587P66.2Low81.5Confident122 Ų12292.2 Ų92.279%0.79248%0.475SS*.PPolyproline II helixtrans-58141.3171.724.2-31.3000109
588H73.5Confident81.7Confident97 Ų9792.8 Ų92.845%0.44948%0.48SS..PPolyproline II helixtrans-76.1151.2171.9-71.459.2000109.2R586R586-H588 PolarHBondContact O-N 3.34Å
589D75.6Confident82Confident146 Ų146101.6 Ų101.678%0.78151%0.51SS*.PPolyproline II helixtrans-58.5143.7170.8-70.8-33.8000110.3T591D589-T591 PolarHBondContact O-N 2.91Å
590P82.2Confident82.3Confident91 Ų91102.4 Ų102.459%0.59151%0.514SS*.  trans-66.6104.8-174.225.7-34000111.8S594 N595P590-S594 WeakPolarHBondContact CA-OG 3.35Å; P590-N595 WeakPolarHBondContact CB-OD1 3.35Å; P590-N595 PolarHBondContact O-ND2 3.25Å
591T90.1Very high82.7Confident26 Ų26101 Ų10116%0.1650%0.503CS..  trans-71.9161.9171.664.80000112.2Q72 D589 V593 S594 N595Q72-T591 HydrophobicContact CB-CG2 3.85Å; Q72-T591 WeakPolarHBondContact O-CG2 3.48Å; D589-T591 PolarHBondContact O-N 2.91Å; T591-V593 PolarHBondContact O-N 3.35Å; T591-S594 PolarHBondContact N-OG 3.47Å; T591-S594 PolarHBondContact O-N 3.12Å; T591-S594 VanDerWaalsContact O-N 3.15Å; T591-S594 PolarHBondContact O-OG 3.21Å; T591-S594 WeakPolarHBondContact OG1-CB 3.49Å; T591-S594 PolarHBondContact OG1-N 3.29Å; T591-S594 VanDerWaalsContact OG1-N 3.12Å; T591-S594 PolarHBondContact OG1-OG 3.01Å; T591-N595 WeakPolarHBondContact O-CB 3.36Å; T591-N595 PolarHBondContact O-N 2.82Å; T591-N595 PolarHBondContact O-ND2 3.31Å
592I92.5Very high83.9Confident152 Ų152103.4 Ų103.478%0.77950%0.498SS*.Hα-helixtrans-52.8-43.3174.3-61.4172.8000111.1N595 F596I592-N595 PolarHBondContact O-N 3.26Å; I592-F596 WeakPolarHBondContact O-CB 3.32Å; I592-F596 PolarHBondContact O-N 2.9Å
593V93.6Very high85.2Confident63 Ų63106.3 Ų106.338%0.38251%0.51SS..Hα-helixtrans-66-47.3179.4179.50000110.7L73 L81 T591 N595 F596 L597L73-V593 HydrophobicContact CD1-CG1 4.14Å; L73-V593 HydrophobicContact CD2-CB 4.41Å; L73-V593 HydrophobicContact CD2-CG1 4.38Å; L81-V593 HydrophobicContact CD1-CG1 4.03Å; L81-V593 HydrophobicContact CD2-CG1 4.13Å; T591-V593 PolarHBondContact O-N 3.35Å; V593-N595 VanDerWaalsContact C-N 3.31Å; V593-N595 PolarHBondContact O-N 2.9Å; V593-F596 PolarHBondContact O-N 3.2Å; V593-L597 HydrophobicContact CG1-CD1 4.08Å; V593-L597 HydrophobicContact CG1-CG 4.45Å; V593-L597 WeakPolarHBondContact O-CG 3.49Å; V593-L597 PolarHBondContact O-N 2.95Å
594S93Very high86.7Confident15 Ų1598.8 Ų98.811%0.10549%0.487CS..Hα-helixtrans-61.3-40178.374.90000112.3P590 T591 L597 T598P590-S594 WeakPolarHBondContact CA-OG 3.35Å; T591-S594 PolarHBondContact N-OG 3.47Å; T591-S594 PolarHBondContact O-N 3.12Å; T591-S594 VanDerWaalsContact O-N 3.15Å; T591-S594 PolarHBondContact O-OG 3.21Å; T591-S594 WeakPolarHBondContact OG1-CB 3.49Å; T591-S594 PolarHBondContact OG1-N 3.29Å; T591-S594 VanDerWaalsContact OG1-N 3.12Å; T591-S594 PolarHBondContact OG1-OG 3.01Å; S594-L597 PolarHBondContact O-N 3.5Å; S594-T598 WeakPolarHBondContact O-CB 3.49Å; S594-T598 PolarHBondContact O-N 2.93Å; S594-T598 PolarHBondContact O-OG1 3.03Å
595N94.9Very high88.1Confident71 Ų7192.2 Ų92.238%0.3847%0.471SS..Hα-helixtrans-64.9-42.8176.6-77.1-33.2000111.8P590 T591 I592 V593 T598 R599P590-N595 WeakPolarHBondContact CB-OD1 3.35Å; P590-N595 PolarHBondContact O-ND2 3.25Å; T591-N595 WeakPolarHBondContact O-CB 3.36Å; T591-N595 PolarHBondContact O-N 2.82Å; T591-N595 PolarHBondContact O-ND2 3.31Å; I592-N595 PolarHBondContact O-N 3.26Å; V593-N595 VanDerWaalsContact C-N 3.31Å; V593-N595 PolarHBondContact O-N 2.9Å; N595-T598 PolarHBondContact O-N 3.41Å; N595-R599 WeakPolarHBondContact O-CG 3.3Å; N595-R599 PolarHBondContact O-N 3.31Å
596F96.2Very high89.3Confident124 Ų12488.8 Ų88.854%0.54445%0.446SS..Hα-helixtrans-60.2-48174.1171.6-98.8000111.5I592 V593 T598 R599 L600I592-F596 WeakPolarHBondContact O-CB 3.32Å; I592-F596 PolarHBondContact O-N 2.9Å; V593-F596 PolarHBondContact O-N 3.2Å; F596-T598 VanDerWaalsContact C-N 3.34Å; F596-T598 PolarHBondContact O-N 2.86Å; F596-R599 PolarHBondContact O-N 3.19Å; F596-L600 HydrophobicContact CE1-CD2 4.17Å; F596-L600 HydrophobicContact CZ-CD2 4.38Å; F596-L600 WeakPolarHBondContact O-CB 3.01Å; F596-L600 PolarHBondContact O-N 3.1Å
597L96.2Very high90.8Very high0 Ų080.6 Ų80.60%042%0.421CS..Hα-helixtrans-62.2-41.2179.4-67.3171.5000111.9K77 E80 L81 V84 V593 S594 L600 R601K77-L597 HydrophobicContact CB-CD1 4.5Å; K77-L597 HydrophobicContact CD-CB 4.38Å; K77-L597 HydrophobicContact CD-CD1 4.45Å; K77-L597 WeakPolarHBondContact O-CD1 3.46Å; E80-L597 HydrophobicContact CG-CD2 4.37Å; L81-L597 HydrophobicContact CB-CD1 3.94Å; L81-L597 HydrophobicContact CD1-CD1 4.42Å; L81-L597 HydrophobicContact CD1-CD2 4.27Å; V84-L597 HydrophobicContact CB-CD2 4.49Å; V84-L597 HydrophobicContact CG2-CD2 4.18Å; V593-L597 HydrophobicContact CG1-CD1 4.08Å; V593-L597 HydrophobicContact CG1-CG 4.45Å; V593-L597 WeakPolarHBondContact O-CG 3.49Å; V593-L597 PolarHBondContact O-N 2.95Å; S594-L597 PolarHBondContact O-N 3.5Å; L597-L600 PolarHBondContact O-N 3.46Å; L597-R601 WeakPolarHBondContact O-CB 3.35Å; L597-R601 PolarHBondContact O-N 3.04Å
598T95Very high92.1Very high51 Ų5180.6 Ų80.631%0.31341%0.405SS..Hα-helixtrans-65-42.9176.2-61.40000111.9K77 S594 N595 F596 R601 N602K77-T598 PolarHBondContact NZ-OG1 3.11Å; S594-T598 WeakPolarHBondContact O-CB 3.49Å; S594-T598 PolarHBondContact O-N 2.93Å; S594-T598 PolarHBondContact O-OG1 3.03Å; N595-T598 PolarHBondContact O-N 3.41Å; F596-T598 VanDerWaalsContact C-N 3.34Å; F596-T598 PolarHBondContact O-N 2.86Å; T598-R601 PolarHBondContact O-N 3.5Å; T598-N602 WeakPolarHBondContact O-CB 3.1Å; T598-N602 PolarHBondContact O-N 3.23Å; T598-N602 PolarHBondContact O-OD1 3.39Å
599R96.6Very high93.1Very high195 Ų19578.1 Ų78.174%0.73640%0.395SS*.Hα-helixtrans-62.4-43.8173.9-73.6178.4-177.4-179.31.5112N595 F596 R601 N602 F603N595-R599 WeakPolarHBondContact O-CG 3.3Å; N595-R599 PolarHBondContact O-N 3.31Å; F596-R599 PolarHBondContact O-N 3.19Å; R599-R601 VanDerWaalsContact C-N 3.35Å; R599-N602 PolarHBondContact O-N 3.43Å; R599-F603 WeakPolarHBondContact O-CB 3.42Å; R599-F603 PolarHBondContact O-N 3.26Å
600L96.5Very high94Very high41 Ų4171.4 Ų71.422%0.21536%0.359CS..Hα-helixtrans-61.1-45.1177-177.265.5000111.1V84 F596 L597 F603 I604V84-L600 HydrophobicContact CG1-CD2 3.87Å; V84-L600 HydrophobicContact CG2-CD2 3.9Å; F596-L600 HydrophobicContact CE1-CD2 4.17Å; F596-L600 HydrophobicContact CZ-CD2 4.38Å; F596-L600 WeakPolarHBondContact O-CB 3.01Å; F596-L600 PolarHBondContact O-N 3.1Å; L597-L600 PolarHBondContact O-N 3.46Å; L600-F603 PolarHBondContact O-N 3.04Å; L600-I604 HydrophobicContact CD1-CD1 3.74Å; L600-I604 HydrophobicContact CD1-CG1 4.35Å; L600-I604 HydrophobicContact CG-CD1 3.91Å; L600-I604 WeakPolarHBondContact O-CG1 3.48Å; L600-I604 PolarHBondContact O-N 3.35Å
601R95.5Very high94.6Very high23 Ų2370.2 Ų70.29%0.08735%0.353CS..Hα-helixtrans-60.5-46175.5177.75459.6177.810.3111.8Y29 E80 L597 T598 R599 F603 I604 G605Y29-R601 PolarHBondContact O-NH1 2.73Å; Y29-R601 VanDerWaalsContact O-NH1 3.14Å; Y29-R601 PolarHBondContact O-NH2 3.44Å; E80-R601 IonicContact OE1-CZ 2.9Å; E80-R601 IonicContact OE1-NE 3.09Å; E80-R601 PolarHBondContact OE1-NE 2.91Å; E80-R601 IonicContact OE1-NH2 3.29Å; E80-R601 PolarHBondContact OE1-NH2 3.26Å; L597-R601 WeakPolarHBondContact O-CB 3.35Å; L597-R601 PolarHBondContact O-N 3.04Å; T598-R601 PolarHBondContact O-N 3.5Å; R599-R601 VanDerWaalsContact C-N 3.35Å; R601-F603 PolarHBondContact O-N 3.48Å; R601-I604 PolarHBondContact O-N 3.34Å; R601-G605 PolarHBondContact NH1-O 2.86Å; R601-G605 WeakPolarHBondContact O-CA 3.35Å; R601-G605 PolarHBondContact O-N 2.98Å
602N95.7Very high94.8Very high130 Ų13072.5 Ų72.570%0.69537%0.369SS*.Hα-helixtrans-64.7-31.3178.8-67.7-6.7000112.2T598 R599T598-N602 WeakPolarHBondContact O-CB 3.1Å; T598-N602 PolarHBondContact O-N 3.23Å; T598-N602 PolarHBondContact O-OD1 3.39Å; R599-N602 PolarHBondContact O-N 3.43Å
603F95.8Very high94.9Very high179 Ų17967.1 Ų67.179%0.78534%0.341SS*.Hα-helixtrans-73.3-41.5175.7179.4-101.5000112.8R599 L600 R601R599-F603 WeakPolarHBondContact O-CB 3.42Å; R599-F603 PolarHBondContact O-N 3.26Å; L600-F603 PolarHBondContact O-N 3.04Å; R601-F603 PolarHBondContact O-N 3.48Å
604I94.4Very high95Very high70 Ų7066.3 Ų66.336%0.35933%0.334SS..Hα-helixtrans-83.8-37.2-176.6-63.4173.6000112.1Y29 L600 R601 P607Y29-I604 HydrophobicContact CE1-CB 4.4Å; Y29-I604 HydrophobicContact CE1-CD1 3.75Å; Y29-I604 HydrophobicContact CE1-CG2 4.09Å; L600-I604 HydrophobicContact CD1-CD1 3.74Å; L600-I604 HydrophobicContact CD1-CG1 4.35Å; L600-I604 HydrophobicContact CG-CD1 3.91Å; L600-I604 WeakPolarHBondContact O-CG1 3.48Å; L600-I604 PolarHBondContact O-N 3.35Å; R601-I604 PolarHBondContact O-N 3.34Å; I604-P607 HydrophobicContact CG2-CG 4.39Å
605G93.9Very high95Very high28 Ų2871.5 Ų71.529%0.28936%0.358SS..  trans67.3-146.7-169.400000113R601R601-G605 PolarHBondContact NH1-O 2.86Å; R601-G605 WeakPolarHBondContact O-CA 3.35Å; R601-G605 PolarHBondContact O-N 2.98Å
606Q94.5Very high95Very high23 Ų2371.4 Ų71.411%0.10736%0.36CS..  trans-121.979.5169-54.5-176-109.800110I30 P33 E515 E518I30-Q606 PolarHBondContact O-NE2 2.94Å; P33-Q606 HydrophobicContact CB-CG 4.31Å; P33-Q606 HydrophobicContact CG-CG 3.79Å; E515-Q606 PolarHBondContact O-OE1 2.9Å; E518-Q606 HydrophobicContact CB-CB 4.19Å; E518-Q606 WeakPolarHBondContact OE2-CB 3.39Å; E518-Q606 VanDerWaalsContact OE2-CD 3.3Å; E518-Q606 WeakPolarHBondContact OE2-CG 3.3Å; E518-Q606 PolarHBondContact OE2-OE1 3.19Å
607P94.5Very high95Very high45 Ų4565.9 Ų65.929%0.29234%0.337SS..  trans-60147.4173.927.8-34.8000109.9I30 I604 D609I30-P607 HydrophobicContact CB-CG 4.11Å; I30-P607 WeakPolarHBondContact CD1-O 3.42Å; I30-P607 HydrophobicContact CG2-CG 3.63Å; I604-P607 HydrophobicContact CG2-CG 4.39Å; P607-D609 VanDerWaalsContact C-N 3.32Å; P607-D609 PolarHBondContact O-N 3.36Å
608R93.4Very high95Very high123 Ų12370.2 Ų70.246%0.46436%0.359SS..SBendtrans-65.3-34.6-174.6-58-176-165.6-171.515.7113.1N464 F465 H480 D521N464-R608 WeakPolarHBondContact OD1-CD 3.23Å; F465-R608 WeakPolarHBondContact CE2-O 3.46Å; F465-R608 HydrophobicContact CZ-CB 4.44Å; F465-R608 VanDerWaalsContact CZ-O 3.26Å; F465-R608 WeakPolarHBondContact CZ-O 3.39Å; H480-R608 PolarHBondContact NE2-O 3.42Å; D521-R608 IonicContact OD1-NH1 3.1Å; D521-R608 PolarHBondContact OD1-NH1 2.92Å
609D94.6Very high95Very high45 Ų4571.6 Ų71.624%0.24137%0.367CS..SBendtrans-147.1-172.9-176.962.939.9000112.5F465 P607 S611F465-D609 HydrophobicContact CE1-CB 4.36Å; F465-D609 HydrophobicContact CZ-CB 3.91Å; P607-D609 VanDerWaalsContact C-N 3.32Å; P607-D609 PolarHBondContact O-N 3.36Å; D609-S611 VanDerWaalsContact CG-OG 3.25Å; D609-S611 WeakPolarHBondContact OD1-CB 3.26Å; D609-S611 PolarHBondContact OD1-N 3.38Å; D609-S611 PolarHBondContact OD1-OG 2.91Å; D609-S611 PolarHBondContact OD2-OG 2.92Å
610L95.9Very high94.9Very high5 Ų565.3 Ų65.33%0.02635%0.348CS..SBendtrans-90.67.1-178.6-62.6-176.7000114.3F23 A26 I30 P479 H480 P612 L613 I614F23-L610 HydrophobicContact CB-CD1 4.18Å; F23-L610 HydrophobicContact CD1-CD1 4.3Å; A26-L610 HydrophobicContact CB-CD2 3.65Å; I30-L610 HydrophobicContact CD1-CD2 4.02Å; P479-L610 HydrophobicContact CG-CD1 4.49Å; H480-L610 HydrophobicContact CB-CB 4.41Å; H480-L610 HydrophobicContact CB-CD1 4.14Å; H480-L610 HydrophobicContact CB-CG 3.96Å; L610-P612 VanDerWaalsContact C-CD 3.47Å; L610-P612 VanDerWaalsContact C-N 3.34Å; L610-L613 HydrophobicContact CD2-CD2 4.35Å; L610-L613 PolarHBondContact O-N 3.33Å; L610-I614 HydrophobicContact CB-CD1 4.14Å; L610-I614 HydrophobicContact CB-CG1 4.29Å; L610-I614 WeakPolarHBondContact O-CG1 3.44Å; L610-I614 PolarHBondContact O-N 3.15Å
611S94.6Very high94.7Very high66 Ų6665.7 Ų65.746%0.46236%0.357SS..Hα-helixtrans-52.5-44.1-176.1-56.70000113.3D609 L613 I614 M615D609-S611 VanDerWaalsContact CG-OG 3.25Å; D609-S611 WeakPolarHBondContact OD1-CB 3.26Å; D609-S611 PolarHBondContact OD1-N 3.38Å; D609-S611 PolarHBondContact OD1-OG 2.91Å; D609-S611 PolarHBondContact OD2-OG 2.92Å; S611-L613 PolarHBondContact O-N 3.18Å; S611-I614 PolarHBondContact O-N 3.36Å; S611-M615 WeakPolarHBondContact O-CB 3.35Å; S611-M615 PolarHBondContact O-N 3.38Å
612P93.3Very high94.6Very high74 Ų7469.8 Ų69.848%0.48138%0.379SS..Hα-helixtrans-61.1-42.7176.1-23.234.9000113L610 M615 V616L610-P612 VanDerWaalsContact C-CD 3.47Å; L610-P612 VanDerWaalsContact C-N 3.34Å; P612-M615 PolarHBondContact O-N 3.39Å; P612-V616 WeakPolarHBondContact O-CG2 3.06Å; P612-V616 PolarHBondContact O-N 3.19Å
613L94.8Very high94.5Very high39 Ų3966.4 Ų66.420%0.20436%0.363CS..Hα-helixtrans-66.8-41.4178.7176.662.6000111.7L22 A26 L610 S611 M615 V616 C617L22-L613 HydrophobicContact CD1-CD2 4.22Å; L22-L613 HydrophobicContact CG-CD2 4.2Å; A26-L613 HydrophobicContact CB-CD2 3.39Å; L610-L613 HydrophobicContact CD2-CD2 4.35Å; L610-L613 PolarHBondContact O-N 3.33Å; S611-L613 PolarHBondContact O-N 3.18Å; L613-M615 VanDerWaalsContact C-N 3.32Å; L613-M615 PolarHBondContact O-N 2.95Å; L613-V616 PolarHBondContact O-N 3.19Å; L613-C617 PolarHBondContact O-N 3.34Å; L613-C617 PolarHBondContact O-SG 2.87Å
614I94.7Very high94.3Very high46 Ų4661.7 Ų61.724%0.23634%0.343CS..Hα-helixtrans-61.5-44.3176.9-65.4165.7000109.7F23 L610 S611 V616 C617 I618F23-I614 HydrophobicContact CE1-CG1 4.4Å; L610-I614 HydrophobicContact CB-CD1 4.14Å; L610-I614 HydrophobicContact CB-CG1 4.29Å; L610-I614 WeakPolarHBondContact O-CG1 3.44Å; L610-I614 PolarHBondContact O-N 3.15Å; S611-I614 PolarHBondContact O-N 3.36Å; I614-V616 PolarHBondContact O-N 2.89Å; I614-C617 WeakPolarHBondContact O-CB 3.22Å; I614-C617 PolarHBondContact O-N 2.87Å; I614-C617 VanDerWaalsContact O-N 3.15Å; I614-I618 HydrophobicContact CG2-CD1 3.76Å; I614-I618 HydrophobicContact CG2-CG1 4.35Å; I614-I618 VanDerWaalsContact O-CG1 3.31Å; I614-I618 WeakPolarHBondContact O-CG1 3.18Å; I614-I618 PolarHBondContact O-N 3.04Å
615M95Very high94Very high124 Ų12465.7 Ų65.761%0.61135%0.354SS*.Hα-helixtrans-58.7-47176.3-173.5179.37200111.6S611 P612 L613 C617 I618 V619S611-M615 WeakPolarHBondContact O-CB 3.35Å; S611-M615 PolarHBondContact O-N 3.38Å; P612-M615 PolarHBondContact O-N 3.39Å; L613-M615 VanDerWaalsContact C-N 3.32Å; L613-M615 PolarHBondContact O-N 2.95Å; M615-C617 VanDerWaalsContact C-N 3.32Å; M615-C617 PolarHBondContact O-N 2.85Å; M615-I618 PolarHBondContact O-N 3.46Å; M615-V619 WeakPolarHBondContact O-CG2 3.4Å; M615-V619 PolarHBondContact O-N 2.95Å
616V95Very high93.9Very high68 Ų6867 Ų6741%0.41236%0.362SS..Hα-helixtrans-58.1-45.5174.6171.40000110.9P612 L613 I614 I618 V619 L620P612-V616 WeakPolarHBondContact O-CG2 3.06Å; P612-V616 PolarHBondContact O-N 3.19Å; L613-V616 PolarHBondContact O-N 3.19Å; I614-V616 PolarHBondContact O-N 2.89Å; V616-I618 VanDerWaalsContact C-N 3.34Å; V616-I618 PolarHBondContact O-N 3.3Å; V616-V619 PolarHBondContact O-N 3.31Å; V616-L620 HydrophobicContact CG1-CD1 3.85Å; V616-L620 HydrophobicContact CG1-CG 4.43Å; V616-L620 WeakPolarHBondContact O-CB 3.16Å; V616-L620 VanDerWaalsContact O-CG 3.31Å; V616-L620 WeakPolarHBondContact O-CG 3.43Å; V616-L620 PolarHBondContact O-N 3.09Å
617C95.5Very high93.8Very high8 Ų872.9 Ų72.95%0.05439%0.387CS..Hα-helixtrans-62.4-40.5179.4-69.40000112.5F19 F95 L613 I614 M615 A621F19-C617 HydrophobicContact CE1-CB 4.34Å; F95-C617 HydrophobicContact CZ-CB 4.02Å; L613-C617 PolarHBondContact O-N 3.34Å; L613-C617 PolarHBondContact O-SG 2.87Å; I614-C617 WeakPolarHBondContact O-CB 3.22Å; I614-C617 PolarHBondContact O-N 2.87Å; I614-C617 VanDerWaalsContact O-N 3.15Å; M615-C617 VanDerWaalsContact C-N 3.32Å; M615-C617 PolarHBondContact O-N 2.85Å; C617-A621 VanDerWaalsContact O-CB 3.3Å; C617-A621 WeakPolarHBondContact O-CB 3.41Å; C617-A621 PolarHBondContact O-N 2.88Å
618I94.8Very high93.5Very high91 Ų9174.6 Ų74.647%0.46739%0.394SS..Hα-helixtrans-64.2-49177.5-70.2167.8000110.4I614 M615 V616 L620 A621 I622I614-I618 HydrophobicContact CG2-CD1 3.76Å; I614-I618 HydrophobicContact CG2-CG1 4.35Å; I614-I618 VanDerWaalsContact O-CG1 3.31Å; I614-I618 WeakPolarHBondContact O-CG1 3.18Å; I614-I618 PolarHBondContact O-N 3.04Å; M615-I618 PolarHBondContact O-N 3.46Å; V616-I618 VanDerWaalsContact C-N 3.34Å; V616-I618 PolarHBondContact O-N 3.3Å; I618-L620 VanDerWaalsContact C-N 3.31Å; I618-L620 PolarHBondContact O-N 2.72Å; I618-A621 PolarHBondContact O-N 3.22Å; I618-A621 VanDerWaalsContact O-N 3.15Å; I618-I622 HydrophobicContact CG2-CD1 3.72Å; I618-I622 HydrophobicContact CG2-CG1 4.41Å; I618-I622 WeakPolarHBondContact O-CG1 3.14Å; I618-I622 PolarHBondContact O-N 3.3Å
619V95.9Very high93.2Very high81 Ų8176.6 Ų76.649%0.49140%0.402SS..Hα-helixtrans-58.9-43.3179171.50000111.2M615 V616 I622 T623M615-V619 WeakPolarHBondContact O-CG2 3.4Å; M615-V619 PolarHBondContact O-N 2.95Å; V616-V619 PolarHBondContact O-N 3.31Å; V619-I622 PolarHBondContact O-N 2.9Å; V619-T623 VanDerWaalsContact O-CB 3.28Å; V619-T623 WeakPolarHBondContact O-CB 3.29Å; V619-T623 PolarHBondContact O-N 3.49Å; V619-T623 PolarHBondContact O-OG1 3.33Å
620L94.8Very high92.9Very high62 Ų6276.8 Ų76.833%0.32541%0.41SS..Hα-helixtrans-67.5-38.3177-70173.1000112.5F91 F95 V616 I618 T623 K624F91-L620 HydrophobicContact CE2-CD1 3.75Å; F91-L620 HydrophobicContact CZ-CD1 3.41Å; F91-L620 VanDerWaalsContact CZ-CD1 3.41Å; F95-L620 HydrophobicContact CD1-CB 4.04Å; F95-L620 HydrophobicContact CD2-CD1 4.44Å; F95-L620 HydrophobicContact CE1-CB 3.54Å; F95-L620 HydrophobicContact CE1-CD1 4.5Å; F95-L620 HydrophobicContact CE2-CD1 4.15Å; F95-L620 HydrophobicContact CZ-CB 3.86Å; F95-L620 HydrophobicContact CZ-CD1 4.2Å; V616-L620 HydrophobicContact CG1-CD1 3.85Å; V616-L620 HydrophobicContact CG1-CG 4.43Å; V616-L620 WeakPolarHBondContact O-CB 3.16Å; V616-L620 VanDerWaalsContact O-CG 3.31Å; V616-L620 WeakPolarHBondContact O-CG 3.43Å; V616-L620 PolarHBondContact O-N 3.09Å; I618-L620 VanDerWaalsContact C-N 3.31Å; I618-L620 PolarHBondContact O-N 2.72Å; L620-T623 PolarHBondContact O-N 3.46Å; L620-K624 WeakPolarHBondContact O-CB 3.29Å; L620-K624 PolarHBondContact O-N 2.91Å
621A92.2Very high92.4Very high49 Ų4980 Ų8041%0.40543%0.427SS..Hα-helixtrans-64.8-44176.800000111.7C617 I618 K624 Y625C617-A621 VanDerWaalsContact O-CB 3.3Å; C617-A621 WeakPolarHBondContact O-CB 3.41Å; C617-A621 PolarHBondContact O-N 2.88Å; I618-A621 PolarHBondContact O-N 3.22Å; I618-A621 VanDerWaalsContact O-N 3.15Å; A621-K624 PolarHBondContact O-N 3.34Å; A621-Y625 WeakPolarHBondContact O-CB 3.12Å; A621-Y625 PolarHBondContact O-N 2.9Å
622I94Very high91.8Very high109 Ų10982.7 Ų82.756%0.55943%0.432SS*.Hα-helixtrans-62.7-49.2176-67.4168.3000110.1I618 V619 K624 Y625 A626I618-I622 HydrophobicContact CG2-CD1 3.72Å; I618-I622 HydrophobicContact CG2-CG1 4.41Å; I618-I622 WeakPolarHBondContact O-CG1 3.14Å; I618-I622 PolarHBondContact O-N 3.3Å; V619-I622 PolarHBondContact O-N 2.9Å; I622-K624 PolarHBondContact O-N 3.18Å; I622-Y625 WeakPolarHBondContact O-CB 3.16Å; I622-Y625 PolarHBondContact O-N 2.87Å; I622-A626 PolarHBondContact O-N 3.35Å
623T93.7Very high91.3Very high59 Ų5982.1 Ų82.136%0.36243%0.43SS..Hα-helixtrans-57.8-48.7178.4-61.10000111V619 L620 Y625 A626 F627V619-T623 VanDerWaalsContact O-CB 3.28Å; V619-T623 WeakPolarHBondContact O-CB 3.29Å; V619-T623 PolarHBondContact O-N 3.49Å; V619-T623 PolarHBondContact O-OG1 3.33Å; L620-T623 PolarHBondContact O-N 3.46Å; T623-Y625 VanDerWaalsContact C-N 3.32Å; T623-Y625 PolarHBondContact O-N 3.32Å; T623-A626 PolarHBondContact O-N 3.39Å; T623-F627 HydrophobicContact CG2-CD2 3.63Å; T623-F627 HydrophobicContact CG2-CE2 3.47Å; T623-F627 VanDerWaalsContact CG2-CE2 3.47Å; T623-F627 VanDerWaalsContact O-CD2 3.25Å; T623-F627 WeakPolarHBondContact O-CD2 3.49Å; T623-F627 PolarHBondContact O-N 2.87Å
624K89.8Confident90.7Very high80 Ų8083.9 Ų83.935%0.34844%0.442SS..Hα-helixtrans-61-40177.1-178.2175.1178.21780112.4F95 L620 A621 I622 N628F95-K624 PolarHBondContact O-NZ 2.86Å; L620-K624 WeakPolarHBondContact O-CB 3.29Å; L620-K624 PolarHBondContact O-N 2.91Å; A621-K624 PolarHBondContact O-N 3.34Å; I622-K624 PolarHBondContact O-N 3.18Å; K624-N628 VanDerWaalsContact O-CG 3.29Å; K624-N628 PolarHBondContact O-N 2.81Å; K624-N628 VanDerWaalsContact O-N 3.13Å; K624-N628 PolarHBondContact O-ND2 2.75Å; K624-N628 VanDerWaalsContact O-ND2 3.09Å
625Y89.9Confident89.9Confident155 Ų15589 Ų8961%0.60846%0.458SS*.Hα-helixtrans-63.8-45175.8177.6-97.7000111.5A621 I622 T623 N628 R629A621-Y625 WeakPolarHBondContact O-CB 3.12Å; A621-Y625 PolarHBondContact O-N 2.9Å; I622-Y625 WeakPolarHBondContact O-CB 3.16Å; I622-Y625 PolarHBondContact O-N 2.87Å; T623-Y625 VanDerWaalsContact C-N 3.32Å; T623-Y625 PolarHBondContact O-N 3.32Å; Y625-N628 PolarHBondContact O-N 2.69Å; Y625-R629 PolarHBondContact O-N 2.78Å; Y625-R629 VanDerWaalsContact O-N 3.09Å
626A91.8Very high89.1Confident54 Ų5487.4 Ų87.445%0.44645%0.452SS..Hα-helixtrans-60.9-47177.700000112.2I622 T623 N628 R629 A630I622-A626 PolarHBondContact O-N 3.35Å; T623-A626 PolarHBondContact O-N 3.39Å; A626-N628 PolarHBondContact O-N 2.95Å; A626-R629 PolarHBondContact O-N 3.4Å; A626-A630 PolarHBondContact O-N 2.81Å
627F91.2Very high88.4Confident147 Ų14787.6 Ų87.665%0.64545%0.453SS*.Hα-helixtrans-59.9-44.9176.7-85.7-68.8000112.8T623 R629 A630 D631T623-F627 HydrophobicContact CG2-CD2 3.63Å; T623-F627 HydrophobicContact CG2-CE2 3.47Å; T623-F627 VanDerWaalsContact CG2-CE2 3.47Å; T623-F627 VanDerWaalsContact O-CD2 3.25Å; T623-F627 WeakPolarHBondContact O-CD2 3.49Å; T623-F627 PolarHBondContact O-N 2.87Å; F627-R629 VanDerWaalsContact C-N 3.28Å; F627-R629 PolarHBondContact O-N 3.48Å; F627-A630 PolarHBondContact O-N 3.05Å; F627-D631 PolarHBondContact O-N 3.39Å
628N88.4Confident87.6Confident82 Ų8291.9 Ų91.944%0.43948%0.475SS..Hα-helixtrans-62.5-36.4178-73.7-32.8000112.2K624 Y625 A626 Q632K624-N628 VanDerWaalsContact O-CG 3.29Å; K624-N628 PolarHBondContact O-N 2.81Å; K624-N628 VanDerWaalsContact O-N 3.13Å; K624-N628 PolarHBondContact O-ND2 2.75Å; K624-N628 VanDerWaalsContact O-ND2 3.09Å; Y625-N628 PolarHBondContact O-N 2.69Å; A626-N628 PolarHBondContact O-N 2.95Å; N628-Q632 VanDerWaalsContact O-CG 3.3Å; N628-Q632 WeakPolarHBondContact O-CG 3.34Å; N628-Q632 PolarHBondContact O-N 2.77Å; N628-Q632 VanDerWaalsContact O-N 3.1Å
629R87Confident86.6Confident164 Ų16494.3 Ų94.362%0.61949%0.485SS*.Hα-helixtrans-70.7-39.2177.2-167.4178.4179.8175.7-0.9111.6Y625 A626 F627 Q632 S633Y625-R629 PolarHBondContact O-N 2.78Å; Y625-R629 VanDerWaalsContact O-N 3.09Å; A626-R629 PolarHBondContact O-N 3.4Å; F627-R629 VanDerWaalsContact C-N 3.28Å; F627-R629 PolarHBondContact O-N 3.48Å; R629-Q632 PolarHBondContact O-N 2.74Å; R629-S633 PolarHBondContact O-N 2.6Å
630A88.2Confident85.6Confident49 Ų4996.8 Ų96.841%0.40550%0.495SS..Hα-helixtrans-62.6-48.6174.800000111.5A626 F627 Q632 S633 V634A626-A630 PolarHBondContact O-N 2.81Å; F627-A630 PolarHBondContact O-N 3.05Å; A630-Q632 VanDerWaalsContact C-N 3.31Å; A630-Q632 PolarHBondContact O-N 2.99Å; A630-S633 PolarHBondContact O-N 3.44Å; A630-S633 PolarHBondContact O-OG 3.26Å; A630-V634 WeakPolarHBondContact O-CG2 3.43Å; A630-V634 PolarHBondContact O-N 3.41Å
631D85.9Confident84.5Confident72 Ų72101.9 Ų101.939%0.38552%0.515SS..Hα-helixtrans-59.3-41.2176.4-177.632.4000111.8F627 S633 V634 R635F627-D631 PolarHBondContact O-N 3.39Å; D631-S633 PolarHBondContact O-N 3.08Å; D631-V634 PolarHBondContact O-N 3.2Å; D631-R635 VanDerWaalsContact O-CG 3.32Å; D631-R635 WeakPolarHBondContact O-CG 3.29Å; D631-R635 PolarHBondContact O-N 3.01Å; D631-R635 IonicContact OD1-CZ 3.14Å; D631-R635 IonicContact OD1-NE 3Å; D631-R635 PolarHBondContact OD1-NE 3.4Å; D631-R635 VanDerWaalsContact OD1-NE 3.14Å; D631-R635 IonicContact OD1-NH2 3.15Å; D631-R635 IonicContact OD2-CZ 3.76Å; D631-R635 VanDerWaalsContact OD2-CZ 3.24Å; D631-R635 IonicContact OD2-NE 3.57Å; D631-R635 PolarHBondContact OD2-NE 3.47Å; D631-R635 VanDerWaalsContact OD2-NE 3.13Å; D631-R635 IonicContact OD2-NH2 3.18Å; D631-R635 PolarHBondContact OD2-NH2 2.85Å
632Q82.3Confident83.2Confident124 Ų124106 Ų10658%0.57955%0.548SS*.Hα-helixtrans-60-43.1173.2-76.6177.40.700112.7N628 R629 A630 R635 I636N628-Q632 VanDerWaalsContact O-CG 3.3Å; N628-Q632 WeakPolarHBondContact O-CG 3.34Å; N628-Q632 PolarHBondContact O-N 2.77Å; N628-Q632 VanDerWaalsContact O-N 3.1Å; R629-Q632 PolarHBondContact O-N 2.74Å; A630-Q632 VanDerWaalsContact C-N 3.31Å; A630-Q632 PolarHBondContact O-N 2.99Å; Q632-R635 PolarHBondContact O-N 3.35Å; Q632-I636 WeakPolarHBondContact O-CD1 3.3Å; Q632-I636 VanDerWaalsContact O-CG1 3.26Å; Q632-I636 WeakPolarHBondContact O-CG1 3.38Å; Q632-I636 PolarHBondContact O-N 3.38Å
633S82.2Confident82.7Confident61 Ų61105.8 Ų105.843%0.42755%0.548SS..Hα-helixtrans-64.7-38.8178.971.60000112.8R629 A630 D631 I636 T637R629-S633 PolarHBondContact O-N 2.6Å; A630-S633 PolarHBondContact O-N 3.44Å; A630-S633 PolarHBondContact O-OG 3.26Å; D631-S633 PolarHBondContact O-N 3.08Å; S633-I636 PolarHBondContact O-N 2.93Å; S633-T637 WeakPolarHBondContact O-CB 3.46Å; S633-T637 PolarHBondContact O-N 2.81Å; S633-T637 PolarHBondContact O-OG1 2.85Å
634V81.7Confident82.1Confident77 Ų77108.3 Ų108.347%0.46756%0.557SS.*Hα-helixtrans-65.9-43.6175.8174.20000110.5A630 D631 I636 T637 N638A630-V634 WeakPolarHBondContact O-CG2 3.43Å; A630-V634 PolarHBondContact O-N 3.41Å; D631-V634 PolarHBondContact O-N 3.2Å; V634-I636 PolarHBondContact O-N 3.23Å; V634-T637 PolarHBondContact O-N 3.37Å; V634-N638 WeakPolarHBondContact O-CB 3.14Å; V634-N638 PolarHBondContact O-N 3.42Å
635R78.8Confident81.7Confident152 Ų152109.8 Ų109.857%0.57457%0.569SS**Hα-helixtrans-62.4-42.1176.5-70.3176.7-165.6-150.86.3112.6D631 Q632 N638 Q639D631-R635 VanDerWaalsContact O-CG 3.32Å; D631-R635 WeakPolarHBondContact O-CG 3.29Å; D631-R635 PolarHBondContact O-N 3.01Å; D631-R635 IonicContact OD1-CZ 3.14Å; D631-R635 IonicContact OD1-NE 3Å; D631-R635 PolarHBondContact OD1-NE 3.4Å; D631-R635 VanDerWaalsContact OD1-NE 3.14Å; D631-R635 IonicContact OD1-NH2 3.15Å; D631-R635 IonicContact OD2-CZ 3.76Å; D631-R635 VanDerWaalsContact OD2-CZ 3.24Å; D631-R635 IonicContact OD2-NE 3.57Å; D631-R635 PolarHBondContact OD2-NE 3.47Å; D631-R635 VanDerWaalsContact OD2-NE 3.13Å; D631-R635 IonicContact OD2-NH2 3.18Å; D631-R635 PolarHBondContact OD2-NH2 2.85Å; Q632-R635 PolarHBondContact O-N 3.35Å; R635-N638 PolarHBondContact O-N 3.44Å; R635-Q639 WeakPolarHBondContact O-CB 3.43Å; R635-Q639 WeakPolarHBondContact O-CG 3.5Å; R635-Q639 PolarHBondContact O-N 2.97Å
636I79Confident81.2Confident92 Ų92107.2 Ų107.247%0.47257%0.567SS.*Hα-helixtrans-64-43.2176.2-67.1163.5000110.3Q632 S633 V634 N638 Q639 N640Q632-I636 WeakPolarHBondContact O-CD1 3.3Å; Q632-I636 VanDerWaalsContact O-CG1 3.26Å; Q632-I636 WeakPolarHBondContact O-CG1 3.38Å; Q632-I636 PolarHBondContact O-N 3.38Å; S633-I636 PolarHBondContact O-N 2.93Å; V634-I636 PolarHBondContact O-N 3.23Å; I636-N638 VanDerWaalsContact C-N 3.35Å; I636-N638 PolarHBondContact O-N 3.06Å; I636-Q639 PolarHBondContact O-N 3.4Å; I636-N640 PolarHBondContact O-N 3.07Å
637T79.1Confident80.5Confident71 Ų71110.5 Ų110.544%0.43657%0.574SS.*Hα-helixtrans-63-42.1178.4-52.60000111.5S633 V634 N640 K641S633-T637 WeakPolarHBondContact O-CB 3.46Å; S633-T637 PolarHBondContact O-N 2.81Å; S633-T637 PolarHBondContact O-OG1 2.85Å; V634-T637 PolarHBondContact O-N 3.37Å; T637-N640 PolarHBondContact O-N 3.2Å; T637-K641 WeakPolarHBondContact O-CG 3.48Å; T637-K641 PolarHBondContact O-N 3.04Å
638N78.6Confident79.8Confident98 Ų98108.1 Ų108.152%0.52457%0.57SS.*Hα-helixtrans-69.5-34.2176.4-71.7-11.1000112.5V634 R635 I636 N640 K641 A642V634-N638 WeakPolarHBondContact O-CB 3.14Å; V634-N638 PolarHBondContact O-N 3.42Å; R635-N638 PolarHBondContact O-N 3.44Å; I636-N638 VanDerWaalsContact C-N 3.35Å; I636-N638 PolarHBondContact O-N 3.06Å; N638-N640 VanDerWaalsContact C-N 3.35Å; N638-K641 PolarHBondContact O-N 3.33Å; N638-A642 PolarHBondContact O-N 2.73Å; N638-A642 VanDerWaalsContact O-N 3.13Å
639Q74Confident79.2Confident143 Ų143109.9 Ų109.967%0.66858%0.579SS**Hα-helixtrans-70.5-26.7173.7-79.4-175.9-23.500113.8R635 I636 A642R635-Q639 WeakPolarHBondContact O-CB 3.43Å; R635-Q639 WeakPolarHBondContact O-CG 3.5Å; R635-Q639 PolarHBondContact O-N 2.97Å; I636-Q639 PolarHBondContact O-N 3.4Å; Q639-A642 VanDerWaalsContact O-OXT 3.13Å
640N74.3Confident78.6Confident132 Ų132105.8 Ų105.871%0.70658%0.576SS**Hα-helixtrans-83-18174.4-71.4-8.8000112.8I636 T637 N638I636-N640 PolarHBondContact O-N 3.07Å; T637-N640 PolarHBondContact O-N 3.2Å; N638-N640 VanDerWaalsContact C-N 3.35Å
641K73.2Confident77.8Confident170 Ų170110.5 Ų110.574%0.73959%0.59SS**Hα-helixtrans-90-28.3177.1-78-175.8177.1-1750113.3T637 N638T637-K641 WeakPolarHBondContact O-CG 3.48Å; T637-K641 PolarHBondContact O-N 3.04Å; N638-K641 PolarHBondContact O-N 3.33Å
642A64.7Low77.1Confident134 Ų134114 Ų114100%1.10761%0.609SS**  trans-81.90169.800000109.7N638 Q639N638-A642 PolarHBondContact O-N 2.73Å; N638-A642 VanDerWaalsContact O-N 3.13Å; Q639-A642 VanDerWaalsContact O-OXT 3.13Å

Retrieved 642 of 642 residues in 249.3 ms (Link to these results)

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