A0A087XXZ4_POEFO Loading...

EH domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087XXZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 537 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
1K38.1Very low35.2Very low268 Ų268175 Ų175100%1.16588%0.878SS**  01060-76.8179.5175.8178.40107
2S33.2Very low35.5Very low121 Ų121176.3 Ų176.385%0.84687%0.874SS**  trans-75.9128.3-171.5-1540000110.1
3A34.2Very low35.8Very low99 Ų99173.8 Ų173.882%0.81887%0.866SS**  trans-91.1113.5174.900000109M5A3-M5 PolarHBondContact O-N 2.91Å
4T38.4Very low36.7Very low122 Ų122167.5 Ų167.575%0.74884%0.844SS**  trans-68.5119-176.7-39.70000110.9F6T4-F6 PolarHBondContact O-N 2.95Å
5M35.4Very low38.1Very low176 Ų176163.5 Ų163.587%0.86782%0.821SS**  trans-76.4101.7175-142.6-161.7-76.400109.2A3 R7A3-M5 PolarHBondContact O-N 2.91Å; M5-R7 PolarHBondContact O-N 3.28Å
6F36.9Very low39.3Very low196 Ų196163.7 Ų163.786%0.8682%0.824SS**  trans-76.6101.1168.7-95.7-86.4000109.4T4 K8T4-F6 PolarHBondContact O-N 2.95Å; F6-K8 PolarHBondContact O-N 3.14Å
7R34.7Very low40.9Very low233 Ų233156.2 Ų156.288%0.87979%0.785SS**  trans-73.499.7170-138.5177-172.2167.60.9107.7M5 T9M5-R7 PolarHBondContact O-N 3.28Å; R7-T9 PolarHBondContact O-N 3.03Å; R7-T9 VanDerWaalsContact O-N 3.09Å
8K32.3Very low42.5Very low203 Ų203157 Ų15788%0.88379%0.786SS**  trans-62.2107.4166.6-103.1179174.6177.50107.9F6 L10F6-K8 PolarHBondContact O-N 3.14Å; K8-L10 PolarHBondContact O-N 3.27Å; K8-L10 VanDerWaalsContact O-N 3.16Å
9T33.4Very low44.6Very low136 Ų136152.2 Ų152.283%0.83476%0.763SS**  trans-62.7109.3163.419.20000107.9R7 K11R7-T9 PolarHBondContact O-N 3.03Å; R7-T9 VanDerWaalsContact O-N 3.09Å; T9-K11 PolarHBondContact O-N 3.19Å; T9-K11 VanDerWaalsContact O-N 3.12Å
10L34.3Very low46.6Very low166 Ų166144.6 Ų144.687%0.86973%0.725SS**  trans-55.6114.6166.4-76.3153.5000107.6K8 K12K8-L10 PolarHBondContact O-N 3.27Å; K8-L10 VanDerWaalsContact O-N 3.16Å; L10-K12 PolarHBondContact O-N 3.38Å; L10-K12 VanDerWaalsContact O-N 3.11Å
11K36.2Very low48.5Very low205 Ų205139.1 Ų139.189%0.89170%0.7SS**  trans-57.4115163.1-80.6-179.3172.7-178.90106.1T9 D13T9-K11 PolarHBondContact O-N 3.19Å; T9-K11 VanDerWaalsContact O-N 3.12Å; K11-D13 PolarHBondContact O-N 3.44Å
12K39.4Very low50.9Low191 Ų191129.3 Ų129.383%0.8366%0.658SS**  trans-53.5130.9167.9-88.1-179.2168.5-174.60107.6L10L10-K12 PolarHBondContact O-N 3.38Å; L10-K12 VanDerWaalsContact O-N 3.11Å
13D39Very low53.7Low143 Ų143123.5 Ų123.577%0.76562%0.618SS**  trans-47.9146169.4-84.3-45000110.3K11 E15K11-D13 PolarHBondContact O-N 3.44Å; D13-E15 PolarHBondContact O-N 3.1Å
14P48.9Very low56.5Low86 Ų86118.9 Ų118.956%0.55858%0.579SS**  trans-59.4114.6173.325.3-31.1000108.1L16P14-L16 PolarHBondContact O-N 3.15Å
15E56.7Low59.1Low107 Ų107115.7 Ų115.750%0.555%0.554SS.*  trans-58.4106.7172.8-68.1-174.1142.300108D13 F17 K26D13-E15 PolarHBondContact O-N 3.1Å; E15-F17 PolarHBondContact O-N 3.2Å; E15-K26 IonicContact OE1-NZ 3.59Å; E15-K26 PolarHBondContact OE1-NZ 3.26Å; E15-K26 IonicContact OE2-NZ 3.14Å; E15-K26 PolarHBondContact OE2-NZ 2.88Å
16L56.9Low61.9Low167 Ų167110.8 Ų110.887%0.87453%0.528SS*.  trans-74.6115.6173.6-83.5136.4000108.2P14P14-L16 PolarHBondContact O-N 3.15Å
17F67.9Low64.6Low37 Ų37101.8 Ų101.816%0.16249%0.488CS..  trans-81.9148.6170.2-52.4-75.7000109.9E15 G23 K26 L392 M395E15-F17 PolarHBondContact O-N 3.2Å; F17-G23 VanDerWaalsContact CD1-CA 3.48Å; F17-K26 HydrophobicContact CD1-CD 4.48Å; F17-K26 HydrophobicContact CE1-CB 4.34Å; F17-K26 HydrophobicContact CE1-CD 3.76Å; F17-L392 HydrophobicContact CD2-CD2 4.22Å; F17-L392 HydrophobicContact CE2-CD2 4.3Å; F17-M395 HydrophobicContact CB-CE 4.02Å; F17-M395 HydrophobicContact CB-SD 4.45Å; F17-M395 HydrophobicContact CD2-SD 3.94Å
18Q69.7Low67.6Low170 Ų17090.8 Ų90.879%0.79445%0.447SS*.SBendtrans-74.7-35.7177-61.4-177.1-6.300112.2E22Q18-E22 WeakPolarHBondContact CB-OE2 3.22Å; Q18-E22 WeakPolarHBondContact CG-OE2 3.04Å; Q18-E22 PolarHBondContact N-OE2 3.15Å
19N80.9Confident70.6Confident66 Ų6687.4 Ų87.435%0.35343%0.429SS..SBendtrans-154.2170.2174.96045.9000111.1S21 E22 G23 E399N19-S21 PolarHBondContact O-N 3.1Å; N19-S21 PolarHBondContact OD1-N 3.48Å; N19-E22 PolarHBondContact O-N 3.44Å; N19-E22 WeakPolarHBondContact OD1-CB 3.38Å; N19-E22 PolarHBondContact OD1-N 3.11Å; N19-G23 PolarHBondContact O-N 3.29Å; N19-E399 VanDerWaalsContact CA-OE1 3.26Å; N19-E399 WeakPolarHBondContact CA-OE1 3.26Å; N19-E399 WeakPolarHBondContact CB-OE1 3.39Å
20V84.6Confident73.6Confident0 Ų084.9 Ų84.90%041%0.413CS..Hα-helixtrans-61-40.8-178.8173.10000112.4E22 G23 L24 A289 M395 V396 E399V20-E22 VanDerWaalsContact C-N 3.34Å; V20-E22 PolarHBondContact O-N 2.82Å; V20-G23 PolarHBondContact O-N 2.7Å; V20-G23 VanDerWaalsContact O-N 3.13Å; V20-L24 HydrophobicContact CG1-CD1 3.82Å; V20-L24 HydrophobicContact CG1-CG 4.03Å; V20-L24 WeakPolarHBondContact O-CG 3.12Å; V20-L24 PolarHBondContact O-N 2.76Å; V20-A289 HydrophobicContact CB-CB 4.23Å; V20-A289 HydrophobicContact CG1-CB 3.96Å; V20-M395 HydrophobicContact CG2-CB 3.9Å; V20-V396 HydrophobicContact CB-CG2 4.36Å; V20-V396 HydrophobicContact CG1-CG2 3.73Å; V20-V396 HydrophobicContact CG2-CB 4.46Å; V20-V396 HydrophobicContact CG2-CG2 3.71Å; V20-E399 VanDerWaalsContact CG2-CD 3.45Å; V20-E399 HydrophobicContact CG2-CG 4.35Å; V20-E399 WeakPolarHBondContact CG2-OE1 3.37Å; V20-E399 WeakPolarHBondContact CG2-OE2 3.29Å; V20-E399 PolarHBondContact N-OE1 3.19Å
21S86.5Confident76.6Confident30 Ų3078.7 Ų78.721%0.2138%0.379CS..Hα-helixtrans-59.9-42.4179.9-68.30000112.5N19 L24 R25 F54N19-S21 PolarHBondContact O-N 3.1Å; N19-S21 PolarHBondContact OD1-N 3.48Å; S21-L24 PolarHBondContact O-N 3.42Å; S21-R25 WeakPolarHBondContact O-CB 3.5Å; S21-R25 PolarHBondContact O-N 3.2Å; S21-F54 PolarHBondContact OG-O 2.65Å
22E89.4Confident79.5Confident61 Ų6169 Ų6929%0.28534%0.337SS..Hα-helixtrans-63.2-43.2174.7-172.8-171.5-16900111.4Q18 N19 V20 R25 K26Q18-E22 WeakPolarHBondContact CB-OE2 3.22Å; Q18-E22 WeakPolarHBondContact CG-OE2 3.04Å; Q18-E22 PolarHBondContact N-OE2 3.15Å; N19-E22 PolarHBondContact O-N 3.44Å; N19-E22 WeakPolarHBondContact OD1-CB 3.38Å; N19-E22 PolarHBondContact OD1-N 3.11Å; V20-E22 VanDerWaalsContact C-N 3.34Å; V20-E22 PolarHBondContact O-N 2.82Å; E22-R25 PolarHBondContact O-N 3.42Å; E22-K26 WeakPolarHBondContact O-CB 3.2Å; E22-K26 PolarHBondContact O-N 3.35Å
23G91.4Very high82.3Confident0 Ų063.4 Ų63.40%031%0.313CS..Hα-helixtrans-59.5-49.2176.500000112.6F17 N19 V20 R25 K26 L27F17-G23 VanDerWaalsContact CD1-CA 3.48Å; N19-G23 PolarHBondContact O-N 3.29Å; V20-G23 PolarHBondContact O-N 2.7Å; V20-G23 VanDerWaalsContact O-N 3.13Å; G23-R25 PolarHBondContact O-N 2.85Å; G23-K26 PolarHBondContact O-N 3.14Å; G23-L27 WeakPolarHBondContact O-CG 3.4Å; G23-L27 PolarHBondContact O-N 2.94Å
24L92.6Very high85.1Confident1 Ų158.6 Ų58.61%0.00529%0.29CS..Hα-helixtrans-58.2-48.6175.8-71.3173.1000111.7V20 S21 K26 L27 Y28 F54 K292 L293 L296 L392V20-L24 HydrophobicContact CG1-CD1 3.82Å; V20-L24 HydrophobicContact CG1-CG 4.03Å; V20-L24 WeakPolarHBondContact O-CG 3.12Å; V20-L24 PolarHBondContact O-N 2.76Å; S21-L24 PolarHBondContact O-N 3.42Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 2.85Å; L24-L27 PolarHBondContact O-N 2.83Å; L24-Y28 WeakPolarHBondContact O-CB 3.47Å; L24-Y28 PolarHBondContact O-N 3.38Å; L24-F54 HydrophobicContact CB-CD1 3.88Å; L24-F54 HydrophobicContact CB-CE1 4.05Å; L24-K292 HydrophobicContact CD1-CB 3.71Å; L24-L293 HydrophobicContact CD2-CB 4.04Å; L24-L293 HydrophobicContact CD2-CD1 3.53Å; L24-L293 HydrophobicContact CD2-CG 4.39Å; L24-L296 HydrophobicContact CB-CD2 4.48Å; L24-L296 HydrophobicContact CD2-CB 4.5Å; L24-L296 HydrophobicContact CD2-CD2 3.65Å; L24-L392 HydrophobicContact CD2-CD1 3.84Å; L24-L392 HydrophobicContact CG-CD1 4.29Å
25R93.5Very high87.5Confident55 Ų5554.6 Ų54.621%0.20826%0.263CS..Hα-helixtrans-59.1-43.6178.4178.5174.356.6-141.4-1.4111.8S21 E22 G23 Y28 R29 D51 F54 D55S21-R25 WeakPolarHBondContact O-CB 3.5Å; S21-R25 PolarHBondContact O-N 3.2Å; E22-R25 PolarHBondContact O-N 3.42Å; G23-R25 PolarHBondContact O-N 2.85Å; R25-Y28 PolarHBondContact O-N 3.48Å; R25-R29 WeakPolarHBondContact O-CG 3.11Å; R25-R29 PolarHBondContact O-N 2.96Å; R25-D51 WeakPolarHBondContact CD-OD1 3.2Å; R25-F54 HydrophobicContact CB-CB 4.29Å; R25-F54 HydrophobicContact CB-CD1 4.12Å; R25-F54 HydrophobicContact CB-CD2 3.94Å; R25-F54 HydrophobicContact CB-CE1 4.49Å; R25-F54 HydrophobicContact CB-CE2 4.33Å; R25-F54 HydrophobicContact CB-CG 3.84Å; R25-F54 HydrophobicContact CG-CD2 4.04Å; R25-F54 HydrophobicContact CG-CE2 4.34Å; R25-F54 HydrophobicContact CG-CG 4.42Å; R25-D55 IonicContact NH1-OD1 3.43Å; R25-D55 PolarHBondContact NH1-OD1 3.41Å; R25-D55 VanDerWaalsContact NH1-OD1 3.14Å; R25-D55 IonicContact NH1-OD2 3.53Å; R25-D55 PolarHBondContact NH1-OD2 3.39Å
26K94Very high89.5Confident73 Ų7349.5 Ų49.532%0.31724%0.24SC..Hα-helixtrans-66.3-46.2179.1-166.1-172.2-169.8-178.80111.5E15 F17 E22 G23 L24 Y28 R29 T30E15-K26 IonicContact OE1-NZ 3.59Å; E15-K26 PolarHBondContact OE1-NZ 3.26Å; E15-K26 IonicContact OE2-NZ 3.14Å; E15-K26 PolarHBondContact OE2-NZ 2.88Å; F17-K26 HydrophobicContact CD1-CD 4.48Å; F17-K26 HydrophobicContact CE1-CB 4.34Å; F17-K26 HydrophobicContact CE1-CD 3.76Å; E22-K26 WeakPolarHBondContact O-CB 3.2Å; E22-K26 PolarHBondContact O-N 3.35Å; G23-K26 PolarHBondContact O-N 3.14Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 2.85Å; K26-Y28 VanDerWaalsContact C-N 3.33Å; K26-Y28 PolarHBondContact O-N 3.3Å; K26-R29 PolarHBondContact O-N 3.28Å; K26-T30 HydrophobicContact CG-CG2 4.21Å; K26-T30 WeakPolarHBondContact O-CB 3.24Å; K26-T30 WeakPolarHBondContact O-CG2 3.34Å; K26-T30 PolarHBondContact O-N 3.49Å; K26-T30 PolarHBondContact O-OG1 3.25Å
27L95Very high91.4Very high7 Ų746.5 Ų46.54%0.03722%0.224CC..Hα-helixtrans-60.7-43.9177.2-70.8-175000111.3G23 L24 K31 L32 M384 D388 L392G23-L27 WeakPolarHBondContact O-CG 3.4Å; G23-L27 PolarHBondContact O-N 2.94Å; L24-L27 PolarHBondContact O-N 2.83Å; L27-K31 HydrophobicContact CD2-CD 4.29Å; L27-K31 WeakPolarHBondContact O-CB 3.29Å; L27-K31 PolarHBondContact O-N 3.02Å; L27-L32 PolarHBondContact O-N 3.2Å; L27-M384 HydrophobicContact CB-CG 4.32Å; L27-M384 HydrophobicContact CB-SD 3.99Å; L27-M384 HydrophobicContact CD1-CG 4.08Å; L27-M384 HydrophobicContact CD2-CG 4.34Å; L27-M384 HydrophobicContact CG-CG 4.49Å; L27-D388 HydrophobicContact CD1-CB 3.73Å; L27-D388 HydrophobicContact CD2-CB 3.78Å; L27-D388 HydrophobicContact CG-CB 4.43Å; L27-L392 HydrophobicContact CD1-CD1 3.36Å; L27-L392 HydrophobicContact CD1-CG 4.26Å; L27-L392 HydrophobicContact CG-CD1 4.39Å
28Y96.4Very high92.8Very high3 Ų345.6 Ų45.61%0.01222%0.224CC..Iπ-helixtrans-55.2-58.2175176.7-108.8000111.2L24 R25 K26 T30 L32 F33 E36 A48 L49 F54 L296L24-Y28 WeakPolarHBondContact O-CB 3.47Å; L24-Y28 PolarHBondContact O-N 3.38Å; R25-Y28 PolarHBondContact O-N 3.48Å; K26-Y28 VanDerWaalsContact C-N 3.33Å; K26-Y28 PolarHBondContact O-N 3.3Å; Y28-T30 VanDerWaalsContact C-N 3.34Å; Y28-T30 PolarHBondContact O-N 3.21Å; Y28-L32 HydrophobicContact CD2-CB 4.08Å; Y28-L32 HydrophobicContact CD2-CD2 3.98Å; Y28-L32 HydrophobicContact CD2-CG 4.16Å; Y28-L32 HydrophobicContact CE2-CD2 4.26Å; Y28-L32 HydrophobicContact CE2-CG 4.28Å; Y28-L32 PolarHBondContact O-N 3.1Å; Y28-L32 VanDerWaalsContact O-N 3.12Å; Y28-F33 HydrophobicContact CD1-CB 4.47Å; Y28-F33 HydrophobicContact CE1-CB 4.07Å; Y28-F33 HydrophobicContact CE1-CD2 4.22Å; Y28-F33 HydrophobicContact CE1-CG 4.48Å; Y28-F33 HydrophobicContact CE2-CB 4.42Å; Y28-F33 WeakPolarHBondContact O-CB 3.34Å; Y28-F33 PolarHBondContact O-N 2.97Å; Y28-E36 WeakPolarHBondContact CE2-OE2 3.33Å; Y28-E36 PolarHBondContact OH-OE2 3.06Å; Y28-A48 WeakPolarHBondContact OH-CA 3.45Å; Y28-L49 HydrophobicContact CD1-CB 4.07Å; Y28-L49 HydrophobicContact CD2-CD1 3.94Å; Y28-L49 HydrophobicContact CE1-CB 3.61Å; Y28-L49 HydrophobicContact CE1-CG 4.3Å; Y28-L49 WeakPolarHBondContact CE1-O 3.34Å; Y28-L49 HydrophobicContact CE2-CB 4.27Å; Y28-L49 HydrophobicContact CE2-CD1 3.92Å; Y28-L49 HydrophobicContact CE2-CG 4.05Å; Y28-L49 HydrophobicContact CG-CD1 4.3Å; Y28-L49 PolarHBondContact OH-N 3.48Å; Y28-F54 HydrophobicContact CD1-CE2 4.1Å; Y28-F54 AromaticContact CD1-CZ 3.86Å; Y28-F54 HydrophobicContact CD1-CZ 3.86Å; Y28-F54 HydrophobicContact CG-CE2 4.46Å; Y28-F54 AromaticContact CG-CZ 3.76Å; Y28-F54 HydrophobicContact CG-CZ 3.76Å; Y28-L296 HydrophobicContact CD2-CD1 3.92Å; Y28-L296 HydrophobicContact CG-CD1 4.47Å
29R96.3Very high94.1Very high132 Ų13237.6 Ų37.650%0.49819%0.186SC..Iπ-helixtrans-63-37-175.3-73.6-179.1169.8-164-7.3113.8R25 K26 D51R25-R29 WeakPolarHBondContact O-CG 3.11Å; R25-R29 PolarHBondContact O-N 2.96Å; K26-R29 PolarHBondContact O-N 3.28Å; R29-D51 IonicContact CZ-OD1 2.73Å; R29-D51 IonicContact CZ-OD2 3.41Å; R29-D51 IonicContact NE-OD1 3.67Å; R29-D51 PolarHBondContact NE-OD1 3.29Å; R29-D51 IonicContact NH2-OD1 3.71Å; R29-D51 PolarHBondContact NH2-OD1 3.46Å; R29-D51 IonicContact NH2-OD2 2.73Å; R29-D51 PolarHBondContact NH2-OD2 3.16Å
30T96.3Very high94.8Very high82 Ų8238.6 Ų38.650%0.50319%0.185SC..Iπ-helixtrans-92.7-29.2-170.659.10000113.7K26 Y28K26-T30 HydrophobicContact CG-CG2 4.21Å; K26-T30 WeakPolarHBondContact O-CB 3.24Å; K26-T30 WeakPolarHBondContact O-CG2 3.34Å; K26-T30 PolarHBondContact O-N 3.49Å; K26-T30 PolarHBondContact O-OG1 3.25Å; Y28-T30 VanDerWaalsContact C-N 3.34Å; Y28-T30 PolarHBondContact O-N 3.21Å
31K96.9Very high95.3Very high37 Ų3738.7 Ų38.716%0.16119%0.186CC..Iπ-helixtrans-116.8-45.2-173.8-62.4-167.1165.6-164.40113.1L27 V381 D383 M384 D388L27-K31 HydrophobicContact CD2-CD 4.29Å; L27-K31 WeakPolarHBondContact O-CB 3.29Å; L27-K31 PolarHBondContact O-N 3.02Å; K31-V381 VanDerWaalsContact O-CG2 3.26Å; K31-V381 WeakPolarHBondContact O-CG2 3.23Å; K31-D383 IonicContact NZ-OD2 2.7Å; K31-D383 PolarHBondContact NZ-OD2 2.69Å; K31-M384 HydrophobicContact CB-CB 4.35Å; K31-M384 HydrophobicContact CB-SD 4.05Å; K31-M384 HydrophobicContact CD-CB 3.77Å; K31-M384 HydrophobicContact CD-CG 4.22Å; K31-D388 WeakPolarHBondContact CE-OD2 3.37Å; K31-D388 IonicContact NZ-OD2 3.41Å; K31-D388 PolarHBondContact NZ-OD2 2.78Å
32L97.9Very high95.6Very high0 Ų039.8 Ų39.80%019%0.187CC..Iπ-helixtrans-87.2-49.3-174.6-17753.8000113.5L27 Y28 P34 L35 E36 L296 R299 A300 A303 V381 M384L27-L32 PolarHBondContact O-N 3.2Å; Y28-L32 HydrophobicContact CD2-CB 4.08Å; Y28-L32 HydrophobicContact CD2-CD2 3.98Å; Y28-L32 HydrophobicContact CD2-CG 4.16Å; Y28-L32 HydrophobicContact CE2-CD2 4.26Å; Y28-L32 HydrophobicContact CE2-CG 4.28Å; Y28-L32 PolarHBondContact O-N 3.1Å; Y28-L32 VanDerWaalsContact O-N 3.12Å; L32-P34 VanDerWaalsContact C-CD 3.49Å; L32-L35 WeakPolarHBondContact O-CA 3.45Å; L32-L35 VanDerWaalsContact O-CB 3.31Å; L32-L35 WeakPolarHBondContact O-CB 3.34Å; L32-L35 PolarHBondContact O-N 3.17Å; L32-E36 HydrophobicContact CD1-CG 4.21Å; L32-E36 WeakPolarHBondContact CD2-OE1 3.29Å; L32-E36 HydrophobicContact CG-CG 4.2Å; L32-E36 WeakPolarHBondContact CG-OE1 3.36Å; L32-E36 PolarHBondContact O-N 3.12Å; L32-L296 HydrophobicContact CD2-CD1 3.74Å; L32-R299 HydrophobicContact CD2-CG 4.23Å; L32-A300 HydrophobicContact CD1-CB 4.11Å; L32-A300 HydrophobicContact CD2-CB 4Å; L32-A303 HydrophobicContact CD1-CB 3.7Å; L32-V381 HydrophobicContact CD1-CG1 4.4Å; L32-V381 HydrophobicContact CD1-CG2 4.17Å; L32-M384 HydrophobicContact CB-CE 4.44Å; L32-M384 HydrophobicContact CB-SD 4.45Å
33F97.9Very high95.7Very high74 Ų7440.5 Ų40.533%0.32519%0.193SC..Hα-helixtrans-54.7-42-177.9177.3-102.1000113.8Y28 L35 E36 D37 H42 A48Y28-F33 HydrophobicContact CD1-CB 4.47Å; Y28-F33 HydrophobicContact CE1-CB 4.07Å; Y28-F33 HydrophobicContact CE1-CD2 4.22Å; Y28-F33 HydrophobicContact CE1-CG 4.48Å; Y28-F33 HydrophobicContact CE2-CB 4.42Å; Y28-F33 WeakPolarHBondContact O-CB 3.34Å; Y28-F33 PolarHBondContact O-N 2.97Å; F33-L35 PolarHBondContact O-N 3.25Å; F33-E36 PolarHBondContact O-N 3.26Å; F33-E36 VanDerWaalsContact O-N 3.12Å; F33-D37 HydrophobicContact CE1-CB 4.5Å; F33-D37 HydrophobicContact CZ-CB 4.36Å; F33-D37 WeakPolarHBondContact O-CB 3.48Å; F33-D37 PolarHBondContact O-N 3.22Å; F33-H42 AromaticContact CE2-NE2 3.84Å; F33-A48 HydrophobicContact CD2-CB 4.28Å; F33-A48 HydrophobicContact CE2-CB 3.85Å
34P98.3Very high95.6Very high43 Ų4341 Ų4128%0.27920%0.195SC..Hα-helixtrans-61.4-30.8175.9-25.236.6000113.7L32 A38 L377L32-P34 VanDerWaalsContact C-CD 3.49Å; P34-A38 WeakPolarHBondContact O-CB 3.34Å; P34-A38 PolarHBondContact O-N 3.31Å; P34-L377 HydrophobicContact CB-CD2 4.02Å
35L98.3Very high95.4Very high1 Ų143.2 Ų43.21%0.00521%0.205CC..Hα-helixtrans-72-47172.9-171.677.1000110.2L32 F33 D37 A38 Y39 A303 K304 A307 L377 L378 V381L32-L35 WeakPolarHBondContact O-CA 3.45Å; L32-L35 VanDerWaalsContact O-CB 3.31Å; L32-L35 WeakPolarHBondContact O-CB 3.34Å; L32-L35 PolarHBondContact O-N 3.17Å; F33-L35 PolarHBondContact O-N 3.25Å; L35-D37 VanDerWaalsContact C-N 3.35Å; L35-D37 PolarHBondContact O-N 3.42Å; L35-A38 PolarHBondContact O-N 3.22Å; L35-Y39 HydrophobicContact CD1-CD2 3.79Å; L35-Y39 HydrophobicContact CD1-CE2 3.53Å; L35-Y39 HydrophobicContact CG-CD2 4.18Å; L35-Y39 HydrophobicContact CG-CE2 4.41Å; L35-Y39 WeakPolarHBondContact O-CD2 3.42Å; L35-Y39 PolarHBondContact O-N 2.95Å; L35-A303 HydrophobicContact CD2-CB 4.18Å; L35-K304 HydrophobicContact CD2-CG 4.23Å; L35-A307 HydrophobicContact CD1-CB 4.07Å; L35-A307 HydrophobicContact CG-CB 4.39Å; L35-L377 HydrophobicContact CD1-CB 3.68Å; L35-L378 HydrophobicContact CD1-CD2 4.02Å; L35-L378 HydrophobicContact CD1-CG 4.2Å; L35-L378 HydrophobicContact CD2-CD2 4.23Å; L35-V381 HydrophobicContact CB-CG2 4.11Å; L35-V381 HydrophobicContact CD2-CB 4.35Å; L35-V381 HydrophobicContact CD2-CG2 3.78Å; L35-V381 HydrophobicContact CG-CG2 4.5Å
36E97.9Very high95.1Very high1 Ų140.9 Ų40.91%0.00520%0.198CC..Hα-helixtrans-55.8-48.6178.2-71-177-177.200111.8Y28 L32 F33 R40 F41 H42 R299 A303Y28-E36 WeakPolarHBondContact CE2-OE2 3.33Å; Y28-E36 PolarHBondContact OH-OE2 3.06Å; L32-E36 HydrophobicContact CD1-CG 4.21Å; L32-E36 WeakPolarHBondContact CD2-OE1 3.29Å; L32-E36 HydrophobicContact CG-CG 4.2Å; L32-E36 WeakPolarHBondContact CG-OE1 3.36Å; L32-E36 PolarHBondContact O-N 3.12Å; F33-E36 PolarHBondContact O-N 3.26Å; F33-E36 VanDerWaalsContact O-N 3.12Å; E36-R40 PolarHBondContact O-N 3.23Å; E36-F41 HydrophobicContact CB-CB 3.71Å; E36-F41 HydrophobicContact CB-CD1 4.47Å; E36-F41 HydrophobicContact CB-CG 4.21Å; E36-F41 HydrophobicContact CG-CB 3.93Å; E36-F41 HydrophobicContact CG-CD1 4.06Å; E36-F41 HydrophobicContact CG-CD2 4.43Å; E36-F41 HydrophobicContact CG-CG 3.88Å; E36-F41 WeakPolarHBondContact O-CB 3.33Å; E36-F41 PolarHBondContact O-N 3.36Å; E36-H42 IonicContact OE2-CE1 3.6Å; E36-H42 PolarHBondContact OE2-CE1 3.19Å; E36-H42 IonicContact OE2-NE2 3.83Å; E36-R299 WeakPolarHBondContact OE1-CD 3.48Å; E36-R299 IonicContact OE1-CZ 3.6Å; E36-R299 IonicContact OE1-NE 3.9Å; E36-R299 PolarHBondContact OE1-NE 3.08Å; E36-R299 IonicContact OE1-NH2 3.56Å; E36-R299 IonicContact OE2-CZ 2.7Å; E36-R299 IonicContact OE2-NE 3.41Å; E36-R299 PolarHBondContact OE2-NE 3.33Å; E36-R299 IonicContact OE2-NH2 3.23Å; E36-R299 PolarHBondContact OE2-NH2 3.4Å; E36-A303 HydrophobicContact CG-CB 4.09Å
37D97.1Very high94.9Very high103 Ų10339.2 Ų39.255%0.55119%0.194SC*.Hα-helixtrans-64.7-46.5179.6-174.361.3000111.8F33 L35 Y39 R40F33-D37 HydrophobicContact CE1-CB 4.5Å; F33-D37 HydrophobicContact CZ-CB 4.36Å; F33-D37 WeakPolarHBondContact O-CB 3.48Å; F33-D37 PolarHBondContact O-N 3.22Å; L35-D37 VanDerWaalsContact C-N 3.35Å; L35-D37 PolarHBondContact O-N 3.42Å; D37-Y39 PolarHBondContact O-N 2.82Å; D37-R40 PolarHBondContact O-N 3.05Å
38A97.4Very high94.7Very high18 Ų1839.8 Ų39.815%0.14920%0.2CC..Hα-helixtrans-61.7-30-177.900000113.9P34 L35 A371 K374 L377P34-A38 WeakPolarHBondContact O-CB 3.34Å; P34-A38 PolarHBondContact O-N 3.31Å; L35-A38 PolarHBondContact O-N 3.22Å; A38-A371 WeakPolarHBondContact O-CB 3.45Å; A38-K374 HydrophobicContact CB-CD 4.4Å; A38-L377 HydrophobicContact CB-CD1 3.71Å
39Y97.6Very high94.5Very high3 Ų341.4 Ų41.41%0.01221%0.209CC..THydrogen-bonded Turntrans-114.820.8-179-60-78.3000113.4L35 D37 F41 A307 I310 S311 A371 L373 K374L35-Y39 HydrophobicContact CD1-CD2 3.79Å; L35-Y39 HydrophobicContact CD1-CE2 3.53Å; L35-Y39 HydrophobicContact CG-CD2 4.18Å; L35-Y39 HydrophobicContact CG-CE2 4.41Å; L35-Y39 WeakPolarHBondContact O-CD2 3.42Å; L35-Y39 PolarHBondContact O-N 2.95Å; D37-Y39 PolarHBondContact O-N 2.82Å; Y39-F41 PolarHBondContact O-N 3.4Å; Y39-A307 HydrophobicContact CD1-CB 4.16Å; Y39-A307 HydrophobicContact CD2-CB 3.39Å; Y39-A307 HydrophobicContact CE1-CB 4.31Å; Y39-A307 HydrophobicContact CE2-CB 3.56Å; Y39-A307 HydrophobicContact CG-CB 3.69Å; Y39-I310 HydrophobicContact CD1-CB 4.14Å; Y39-I310 HydrophobicContact CD1-CG2 3.98Å; Y39-S311 WeakPolarHBondContact CE1-OG 3.35Å; Y39-A371 HydrophobicContact CD1-CB 4.38Å; Y39-A371 HydrophobicContact CE1-CB 4.2Å; Y39-L373 WeakPolarHBondContact OH-CA 3.12Å; Y39-K374 PolarHBondContact OH-N 3.31Å
40R95.5Very high94.1Very high87 Ų8737.1 Ų37.133%0.32819%0.194SC..THydrogen-bonded Turntrans54.437.8172.1-62.2-178.7147.4-140.3-13.5113.3E36 D37 H42 D43 F44E36-R40 PolarHBondContact O-N 3.23Å; D37-R40 PolarHBondContact O-N 3.05Å; R40-H42 PolarHBondContact O-N 3.29Å; R40-H42 VanDerWaalsContact O-N 3.08Å; R40-D43 HydrophobicContact CB-CB 4.31Å; R40-D43 IonicContact CZ-OD2 3.73Å; R40-D43 IonicContact NE-OD2 2.88Å; R40-D43 IonicContact NH1-OD2 3.48Å; R40-D43 PolarHBondContact NH1-OD2 3.1Å; R40-D43 WeakPolarHBondContact O-CB 3.14Å; R40-D43 PolarHBondContact O-N 3.47Å; R40-F44 HydrophobicContact CB-CE2 4.4Å; R40-F44 WeakPolarHBondContact O-CD2 3.46Å
41F95.9Very high93.8Very high2 Ų236 Ų361%0.00919%0.185CC..G310 helixtrans-51-38.9-177.6-179.7-89.5000112.4E36 Y39 D43 F44 H45 R299 L302 A303 Q306E36-F41 HydrophobicContact CB-CB 3.71Å; E36-F41 HydrophobicContact CB-CD1 4.47Å; E36-F41 HydrophobicContact CB-CG 4.21Å; E36-F41 HydrophobicContact CG-CB 3.93Å; E36-F41 HydrophobicContact CG-CD1 4.06Å; E36-F41 HydrophobicContact CG-CD2 4.43Å; E36-F41 HydrophobicContact CG-CG 3.88Å; E36-F41 WeakPolarHBondContact O-CB 3.33Å; E36-F41 PolarHBondContact O-N 3.36Å; Y39-F41 PolarHBondContact O-N 3.4Å; F41-D43 PolarHBondContact O-N 3.44Å; F41-F44 PolarHBondContact O-N 3.07Å; F41-F44 VanDerWaalsContact O-N 3.16Å; F41-H45 HydrophobicContact CD1-CB 4.23Å; F41-H45 HydrophobicContact CD2-CB 4.38Å; F41-H45 AromaticContact CD2-CD2 3.57Å; F41-H45 HydrophobicContact CE1-CB 3.72Å; F41-H45 HydrophobicContact CE2-CB 3.9Å; F41-H45 AromaticContact CE2-CD2 3.55Å; F41-H45 AromaticContact CE2-CG 3.9Å; F41-H45 HydrophobicContact CZ-CB 3.54Å; F41-H45 PolarHBondContact O-N 3.25Å; F41-R299 HydrophobicContact CE1-CG 4.44Å; F41-R299 HydrophobicContact CZ-CG 4.14Å; F41-L302 HydrophobicContact CE2-CB 4.27Å; F41-L302 HydrophobicContact CE2-CD2 4.14Å; F41-L302 HydrophobicContact CE2-CG 3.93Å; F41-L302 HydrophobicContact CZ-CD2 4.09Å; F41-L302 HydrophobicContact CZ-CG 4.37Å; F41-A303 HydrophobicContact CD2-CB 3.84Å; F41-A303 HydrophobicContact CE2-CB 3.92Å; F41-Q306 HydrophobicContact CD2-CB 4.3Å; F41-Q306 HydrophobicContact CD2-CG 4.39Å
42H92.7Very high93.4Very high53 Ų5334.7 Ų34.725%0.24518%0.181CC..G310 helixtrans-67.8-19.6-178.4-50.3-46.6000114.7F33 E36 R40 F44 S46 P47 A48F33-H42 AromaticContact CE2-NE2 3.84Å; E36-H42 IonicContact OE2-CE1 3.6Å; E36-H42 PolarHBondContact OE2-CE1 3.19Å; E36-H42 IonicContact OE2-NE2 3.83Å; R40-H42 PolarHBondContact O-N 3.29Å; R40-H42 VanDerWaalsContact O-N 3.08Å; H42-F44 VanDerWaalsContact C-N 3.29Å; H42-S46 WeakPolarHBondContact CA-O 3.34Å; H42-S46 PolarHBondContact ND1-O 3.14Å; H42-P47 VanDerWaalsContact ND1-C 3.3Å; H42-A48 WeakPolarHBondContact CE1-CA 3.44Å; H42-A48 PolarHBondContact CE1-N 3.47Å; H42-A48 VanDerWaalsContact CE1-N 3.28Å; H42-A48 PolarHBondContact ND1-N 3.33Å; H42-A48 VanDerWaalsContact ND1-N 3.12Å
43D90.4Very high92.9Very high76 Ų7635.6 Ų35.641%0.40619%0.186SC..G310 helixtrans-80.9-13.4177.3-64.5-10.4000111.9R40 F41R40-D43 HydrophobicContact CB-CB 4.31Å; R40-D43 IonicContact CZ-OD2 3.73Å; R40-D43 IonicContact NE-OD2 2.88Å; R40-D43 IonicContact NH1-OD2 3.48Å; R40-D43 PolarHBondContact NH1-OD2 3.1Å; R40-D43 WeakPolarHBondContact O-CB 3.14Å; R40-D43 PolarHBondContact O-N 3.47Å; F41-D43 PolarHBondContact O-N 3.44Å
44F90.4Very high92.5Very high10 Ų1032.5 Ų32.54%0.04417%0.173CC..THydrogen-bonded Turntrans-122-37.3-172.8-66.2-86.5000114.2R40 F41 H42 I310 M358 L361 L362 Q365 F370R40-F44 HydrophobicContact CB-CE2 4.4Å; R40-F44 WeakPolarHBondContact O-CD2 3.46Å; F41-F44 PolarHBondContact O-N 3.07Å; F41-F44 VanDerWaalsContact O-N 3.16Å; H42-F44 VanDerWaalsContact C-N 3.29Å; F44-I310 HydrophobicContact CE2-CD1 3.93Å; F44-I310 HydrophobicContact CZ-CD1 3.93Å; F44-M358 HydrophobicContact CB-CE 4.42Å; F44-M358 HydrophobicContact CB-SD 4.37Å; F44-M358 HydrophobicContact CD1-CE 3.26Å; F44-M358 HydrophobicContact CD1-SD 3.64Å; F44-M358 HydrophobicContact CE1-CE 3.45Å; F44-M358 VanDerWaalsContact CE1-CE 3.45Å; F44-M358 HydrophobicContact CE1-SD 4.28Å; F44-M358 HydrophobicContact CG-CE 3.83Å; F44-M358 HydrophobicContact CG-SD 4.28Å; F44-M358 HydrophobicContact CZ-CE 4.15Å; F44-L361 HydrophobicContact CB-CD1 4.48Å; F44-L361 HydrophobicContact CD1-CB 3.77Å; F44-L361 HydrophobicContact CD1-CD1 4.33Å; F44-L361 HydrophobicContact CE1-CB 4.15Å; F44-L361 VanDerWaalsContact O-CD1 3.3Å; F44-L361 WeakPolarHBondContact O-CD1 3.47Å; F44-L362 HydrophobicContact CE1-CD2 3.55Å; F44-L362 HydrophobicContact CE1-CG 3.91Å; F44-L362 HydrophobicContact CZ-CD2 3.76Å; F44-Q365 HydrophobicContact CE1-CG 3.91Å; F44-Q365 HydrophobicContact CE2-CG 4.49Å; F44-Q365 HydrophobicContact CZ-CB 4.33Å; F44-Q365 HydrophobicContact CZ-CG 3.62Å; F44-F370 HydrophobicContact CZ-CE1 4.44Å; F44-F370 HydrophobicContact CZ-CZ 4.16Å
45H88.8Confident91.9Very high47 Ų4735 Ų3522%0.21818%0.184CC..SBendtrans-114.9-84.6-169.1-58.5-62.4000110.5F41 L302 Q306F41-H45 HydrophobicContact CD1-CB 4.23Å; F41-H45 HydrophobicContact CD2-CB 4.38Å; F41-H45 AromaticContact CD2-CD2 3.57Å; F41-H45 HydrophobicContact CE1-CB 3.72Å; F41-H45 HydrophobicContact CE2-CB 3.9Å; F41-H45 AromaticContact CE2-CD2 3.55Å; F41-H45 AromaticContact CE2-CG 3.9Å; F41-H45 HydrophobicContact CZ-CB 3.54Å; F41-H45 PolarHBondContact O-N 3.25Å; H45-L302 HydrophobicContact CB-CD2 4.23Å; H45-Q306 PolarHBondContact NE2-OE1 3.32Å
46S86.5Confident91.3Very high7 Ų736 Ų365%0.04919%0.189CC..  trans-146.8155.3-178.252.60000113.8H42 E179 R299H42-S46 WeakPolarHBondContact CA-O 3.34Å; H42-S46 PolarHBondContact ND1-O 3.14Å; S46-E179 WeakPolarHBondContact CB-OE1 3.44Å; S46-E179 WeakPolarHBondContact CB-OE2 3.35Å; S46-E179 PolarHBondContact OG-OE1 3.37Å; S46-R299 PolarHBondContact O-NH2 3.24Å; S46-R299 PolarHBondContact OG-NH1 2.9Å
47P88.9Confident91Very high38 Ų3839.7 Ų39.725%0.24721%0.205CC..PPolyproline II helixtrans-58.5162.3-177.6-24.334.1000113.4H42 K123 R299H42-P47 VanDerWaalsContact ND1-C 3.3Å; P47-K123 HydrophobicContact CB-CB 4.27Å; P47-K123 HydrophobicContact CB-CD 3.84Å; P47-K123 HydrophobicContact CB-CG 3.81Å; P47-K123 HydrophobicContact CG-CB 4.19Å; P47-K123 HydrophobicContact CG-CG 4.28Å; P47-R299 PolarHBondContact O-NH2 3.01Å
48A91.5Very high90.8Very high19 Ų1935.2 Ų35.216%0.15718%0.182CC..PPolyproline II helixtrans-61.2139.4172.700000110.8Y28 F33 H42 K123Y28-A48 WeakPolarHBondContact OH-CA 3.45Å; F33-A48 HydrophobicContact CD2-CB 4.28Å; F33-A48 HydrophobicContact CE2-CB 3.85Å; H42-A48 WeakPolarHBondContact CE1-CA 3.44Å; H42-A48 PolarHBondContact CE1-N 3.47Å; H42-A48 VanDerWaalsContact CE1-N 3.28Å; H42-A48 PolarHBondContact ND1-N 3.33Å; H42-A48 VanDerWaalsContact ND1-N 3.12Å; A48-K123 WeakPolarHBondContact O-CE 3.34Å
49L91.1Very high90.8Very high37 Ų3734.5 Ų34.519%0.19418%0.175CC..PPolyproline II helixtrans-72.2138.3175.2-56.1177.5000109.8Y28 D53 F54Y28-L49 HydrophobicContact CD1-CB 4.07Å; Y28-L49 HydrophobicContact CD2-CD1 3.94Å; Y28-L49 HydrophobicContact CE1-CB 3.61Å; Y28-L49 HydrophobicContact CE1-CG 4.3Å; Y28-L49 WeakPolarHBondContact CE1-O 3.34Å; Y28-L49 HydrophobicContact CE2-CB 4.27Å; Y28-L49 HydrophobicContact CE2-CD1 3.92Å; Y28-L49 HydrophobicContact CE2-CG 4.05Å; Y28-L49 HydrophobicContact CG-CD1 4.3Å; Y28-L49 PolarHBondContact OH-N 3.48Å; L49-D53 WeakPolarHBondContact CA-OD2 3.19Å; L49-D53 HydrophobicContact CB-CB 4.44Å; L49-D53 HydrophobicContact CD2-CB 4.35Å; L49-F54 HydrophobicContact CB-CE2 3.88Å; L49-F54 HydrophobicContact CB-CZ 4.02Å; L49-F54 HydrophobicContact CD1-CE1 4.4Å; L49-F54 HydrophobicContact CD1-CE2 4.45Å; L49-F54 HydrophobicContact CD1-CZ 3.78Å
50E89.9Confident90.8Very high41 Ų4134.5 Ų34.519%0.19218%0.175CC..  trans-106.4168.2175.9-61.9-175.517800110.2A52 D53 F54 R122 K123E50-A52 PolarHBondContact O-N 3.31Å; E50-D53 PolarHBondContact N-OD2 3.49Å; E50-D53 WeakPolarHBondContact O-CB 3.46Å; E50-D53 PolarHBondContact O-N 3.3Å; E50-F54 VanDerWaalsContact O-CD2 3.31Å; E50-F54 WeakPolarHBondContact O-CD2 3.44Å; E50-R122 WeakPolarHBondContact OE2-CD 3.21Å; E50-K123 WeakPolarHBondContact OE1-CE 3.36Å; E50-K123 IonicContact OE1-NZ 2.69Å; E50-K123 PolarHBondContact OE1-NZ 3.3Å
51D88.8Confident90.9Very high59 Ų5930.3 Ų30.332%0.31616%0.16SC..Hα-helixtrans-60.7-34.1-177.2-68-15.4000112.3R25 R29 D53 F54 D55R25-D51 WeakPolarHBondContact CD-OD1 3.2Å; R29-D51 IonicContact CZ-OD1 2.73Å; R29-D51 IonicContact CZ-OD2 3.41Å; R29-D51 IonicContact NE-OD1 3.67Å; R29-D51 PolarHBondContact NE-OD1 3.29Å; R29-D51 IonicContact NH2-OD1 3.71Å; R29-D51 PolarHBondContact NH2-OD1 3.46Å; R29-D51 IonicContact NH2-OD2 2.73Å; R29-D51 PolarHBondContact NH2-OD2 3.16Å; D51-D53 PolarHBondContact O-N 2.72Å; D51-F54 PolarHBondContact O-N 2.87Å; D51-D55 PolarHBondContact O-N 2.59Å; D51-D55 VanDerWaalsContact O-N 3.14Å
52A88.3Confident91Very high9 Ų930.2 Ų30.27%0.07416%0.159CC..Hα-helixtrans-60-27.2174.900000113.3E50 F54 N56 P120E50-A52 PolarHBondContact O-N 3.31Å; A52-F54 VanDerWaalsContact C-N 3.28Å; A52-F54 PolarHBondContact O-N 3.39Å; A52-N56 VanDerWaalsContact O-CB 3.25Å; A52-N56 WeakPolarHBondContact O-CB 3.44Å; A52-N56 PolarHBondContact O-N 3.04Å; A52-P120 HydrophobicContact CB-CB 4.28Å
53D88.1Confident91.2Very high20 Ų2027.7 Ų27.711%0.10715%0.148CC..Hα-helixtrans-71.9-23.1177.2-63.1-58.6000112.2L49 E50 D51 N56 R180L49-D53 WeakPolarHBondContact CA-OD2 3.19Å; L49-D53 HydrophobicContact CB-CB 4.44Å; L49-D53 HydrophobicContact CD2-CB 4.35Å; E50-D53 PolarHBondContact N-OD2 3.49Å; E50-D53 WeakPolarHBondContact O-CB 3.46Å; E50-D53 PolarHBondContact O-N 3.3Å; D51-D53 PolarHBondContact O-N 2.72Å; D53-N56 PolarHBondContact O-OD1 3.48Å; D53-N56 VanDerWaalsContact O-OD1 3.08Å; D53-R180 IonicContact OD1-NE 3.58Å
54F88.4Confident91.3Very high9 Ų924.1 Ų24.14%0.03913%0.128CC..Hα-helixtrans-91.6-32.3177.4-60.9-82.5000112.3S21 L24 R25 Y28 L49 E50 D51 A52 K292S21-F54 PolarHBondContact OG-O 2.65Å; L24-F54 HydrophobicContact CB-CD1 3.88Å; L24-F54 HydrophobicContact CB-CE1 4.05Å; R25-F54 HydrophobicContact CB-CB 4.29Å; R25-F54 HydrophobicContact CB-CD1 4.12Å; R25-F54 HydrophobicContact CB-CD2 3.94Å; R25-F54 HydrophobicContact CB-CE1 4.49Å; R25-F54 HydrophobicContact CB-CE2 4.33Å; R25-F54 HydrophobicContact CB-CG 3.84Å; R25-F54 HydrophobicContact CG-CD2 4.04Å; R25-F54 HydrophobicContact CG-CE2 4.34Å; R25-F54 HydrophobicContact CG-CG 4.42Å; Y28-F54 HydrophobicContact CD1-CE2 4.1Å; Y28-F54 AromaticContact CD1-CZ 3.86Å; Y28-F54 HydrophobicContact CD1-CZ 3.86Å; Y28-F54 HydrophobicContact CG-CE2 4.46Å; Y28-F54 AromaticContact CG-CZ 3.76Å; Y28-F54 HydrophobicContact CG-CZ 3.76Å; L49-F54 HydrophobicContact CB-CE2 3.88Å; L49-F54 HydrophobicContact CB-CZ 4.02Å; L49-F54 HydrophobicContact CD1-CE1 4.4Å; L49-F54 HydrophobicContact CD1-CE2 4.45Å; L49-F54 HydrophobicContact CD1-CZ 3.78Å; E50-F54 VanDerWaalsContact O-CD2 3.31Å; E50-F54 WeakPolarHBondContact O-CD2 3.44Å; D51-F54 PolarHBondContact O-N 2.87Å; A52-F54 VanDerWaalsContact C-N 3.28Å; A52-F54 PolarHBondContact O-N 3.39Å; F54-K292 PolarHBondContact O-NZ 3.31Å
55D85.8Confident91.3Very high96 Ų9624.7 Ų24.751%0.51313%0.131SC..Hα-helixtrans-95-7.5-174.4-60.9-28.6000113.1R25 D51R25-D55 IonicContact NH1-OD1 3.43Å; R25-D55 PolarHBondContact NH1-OD1 3.41Å; R25-D55 VanDerWaalsContact NH1-OD1 3.14Å; R25-D55 IonicContact NH1-OD2 3.53Å; R25-D55 PolarHBondContact NH1-OD2 3.39Å; D51-D55 PolarHBondContact O-N 2.59Å; D51-D55 VanDerWaalsContact O-N 3.14Å
56N86.4Confident91.3Very high22 Ų2225.1 Ų25.112%0.11813%0.131CC..PPolyproline II helixtrans-64.5149.6179.366.6-12000113.3A52 D53 P120 K292A52-N56 VanDerWaalsContact O-CB 3.25Å; A52-N56 WeakPolarHBondContact O-CB 3.44Å; A52-N56 PolarHBondContact O-N 3.04Å; D53-N56 PolarHBondContact O-OD1 3.48Å; D53-N56 VanDerWaalsContact O-OD1 3.08Å; N56-P120 HydrophobicContact CB-CG 4.25Å; N56-K292 PolarHBondContact O-NZ 2.85Å; N56-K292 WeakPolarHBondContact OD1-CE 3.47Å; N56-K292 PolarHBondContact OD1-NZ 3.4Å
57K91.1Very high91.3Very high77 Ų7727.4 Ų27.434%0.33515%0.147SC..PPolyproline II helixtrans-67.9154.8166-60.9-176.6-169.5-174.60109.9M59 L145 E146K57-M59 PolarHBondContact O-N 2.77Å; K57-L145 PolarHBondContact NZ-O 3.21Å; K57-E146 WeakPolarHBondContact CD-O 3.46Å; K57-E146 WeakPolarHBondContact CE-O 3.49Å; K57-E146 VanDerWaalsContact NZ-C 3.26Å; K57-E146 VanDerWaalsContact NZ-CA 3.33Å; K57-E146 PolarHBondContact NZ-O 3.06Å
58P93.9Very high91.5Very high10 Ų1025.8 Ų25.87%0.06514%0.137CC..PPolyproline II helixtrans-55.5140.1174.6-19.727.8000111.8S147 I148 S149 D182 L284 P285 A288P58-S147 WeakPolarHBondContact CD-O 3.43Å; P58-I148 HydrophobicContact CB-CG2 4.26Å; P58-I148 CarbonylContact O-C 3.54Å; P58-I148 WeakPolarHBondContact O-CA 3.28Å; P58-S149 PolarHBondContact O-N 3.47Å; P58-D182 WeakPolarHBondContact CA-OD2 3.21Å; P58-D182 HydrophobicContact CB-CB 4.19Å; P58-D182 WeakPolarHBondContact CB-OD2 3.33Å; P58-L284 HydrophobicContact CB-CB 4.02Å; P58-L284 HydrophobicContact CG-CB 4.42Å; P58-P285 HydrophobicContact CG-CB 4.22Å; P58-P285 HydrophobicContact CG-CG 4.27Å; P58-A288 HydrophobicContact CG-CB 3.84Å
59M96Very high91.5Very high2 Ų225.5 Ų25.51%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-113.2138.8-179.5-62.5-174.5-68.100111.7K57 P120 F121 S149 I151 R180 V181 D182 R183K57-M59 PolarHBondContact O-N 2.77Å; M59-P120 HydrophobicContact SD-CG 4.44Å; M59-F121 HydrophobicContact SD-CE1 4.44Å; M59-F121 HydrophobicContact SD-CZ 4.48Å; M59-S149 CarbonylContact C-O 3.5Å; M59-S149 VanDerWaalsContact CA-O 3.28Å; M59-S149 WeakPolarHBondContact CA-O 3.18Å; M59-I151 HydrophobicContact SD-CD1 4.49Å; M59-R180 HydrophobicContact CE-CB 3.84Å; M59-R180 WeakPolarHBondContact CE-O 3.38Å; M59-V181 HydrophobicContact CB-CB 4.12Å; M59-V181 HydrophobicContact CB-CG1 3.73Å; M59-V181 HydrophobicContact CE-CG1 4.37Å; M59-V181 WeakPolarHBondContact O-CB 3.28Å; M59-D182 PolarHBondContact N-OD2 2.82Å; M59-D182 PolarHBondContact O-N 2.92Å; M59-R183 PolarHBondContact O-N 2.94Å
60V97.8Very high91.7Very high3 Ų324.3 Ų24.32%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-111.7119173.1-175.90000109I148 S149 I150 I151 R183 I185 L284V60-I148 HydrophobicContact CG2-CD1 4.33Å; V60-S149 PolarHBondContact N-O 2.96Å; V60-I150 CarbonylContact O-C 3.59Å; V60-I150 WeakPolarHBondContact O-CA 3.33Å; V60-I151 PolarHBondContact O-N 3.5Å; V60-R183 WeakPolarHBondContact CA-O 3.36Å; V60-R183 HydrophobicContact CG1-CB 4.37Å; V60-R183 HydrophobicContact CG2-CB 4.3Å; V60-I185 HydrophobicContact CG1-CD1 3.56Å; V60-I185 HydrophobicContact CG1-CG1 3.82Å; V60-L284 HydrophobicContact CG2-CD1 3.39Å
61L98.1Very high91.9Very high0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-96.3123.9177.3-178.767.1000110.1V63 I151 T153 L174 F177 V181 R183 I184 I185L61-V63 HydrophobicContact CD2-CG2 3.88Å; L61-V63 HydrophobicContact CG-CG2 3.79Å; L61-I151 HydrophobicContact CD1-CB 3.74Å; L61-I151 HydrophobicContact CD1-CG2 3.59Å; L61-T153 HydrophobicContact CD1-CG2 3.49Å; L61-T153 VanDerWaalsContact CD1-CG2 3.49Å; L61-T153 HydrophobicContact CG-CG2 4.35Å; L61-L174 HydrophobicContact CD1-CD2 4.27Å; L61-L174 HydrophobicContact CD2-CD2 4.15Å; L61-F177 HydrophobicContact CD1-CB 4.14Å; L61-F177 HydrophobicContact CD1-CG 4.3Å; L61-F177 HydrophobicContact CD2-CB 3.92Å; L61-V181 HydrophobicContact CB-CB 4.31Å; L61-V181 HydrophobicContact CB-CG1 3.93Å; L61-V181 HydrophobicContact CB-CG2 4.01Å; L61-R183 PolarHBondContact N-O 3.28Å; L61-I184 HydrophobicContact CB-CG1 4.5Å; L61-I184 HydrophobicContact CD2-CG1 4.41Å; L61-I184 HydrophobicContact CD2-CG2 4.39Å; L61-I184 CarbonylContact O-C 3.45Å; L61-I184 WeakPolarHBondContact O-CA 3.43Å; L61-I185 PolarHBondContact O-N 2.88Å
62L97.9Very high92.1Very high0 Ų021.9 Ų21.90%012%0.119CC..EExtended strand (participates in β ladder)trans-98.2122.5173.1-69.986.2000109.9K70 F73 I74 I150 I151 T153 L187L62-K70 HydrophobicContact CB-CB 4.36Å; L62-K70 HydrophobicContact CB-CD 4.36Å; L62-K70 HydrophobicContact CB-CG 4.28Å; L62-K70 HydrophobicContact CD2-CB 4.16Å; L62-F73 HydrophobicContact CD2-CB 4.28Å; L62-F73 HydrophobicContact CD2-CD1 3.66Å; L62-F73 HydrophobicContact CD2-CE1 4.37Å; L62-F73 HydrophobicContact CD2-CG 4.27Å; L62-I74 HydrophobicContact CD1-CD1 3.97Å; L62-I74 HydrophobicContact CD1-CG1 3.92Å; L62-I74 HydrophobicContact CD2-CD1 4.18Å; L62-I74 HydrophobicContact CD2-CG1 3.72Å; L62-I74 HydrophobicContact CG-CG1 4.5Å; L62-I150 HydrophobicContact CD1-CG2 3.22Å; L62-I151 PolarHBondContact N-O 2.7Å; L62-T153 WeakPolarHBondContact O-CB 3.29Å; L62-T153 WeakPolarHBondContact O-CG2 3.2Å; L62-T153 PolarHBondContact O-OG1 3.02Å; L62-L187 HydrophobicContact CB-CD1 4.18Å; L62-L187 HydrophobicContact CD2-CD1 4Å; L62-L187 HydrophobicContact CG-CD1 4.24Å
63V96.2Very high92.4Very high0 Ų021.5 Ų21.50%012%0.115CC..EExtended strand (participates in β ladder)trans-124.8139.5178-172.10000109.1L61 I156 L174 I184 I185 L186 L187 F199 V202L61-V63 HydrophobicContact CD2-CG2 3.88Å; L61-V63 HydrophobicContact CG-CG2 3.79Å; V63-I156 HydrophobicContact CG1-CD1 3.74Å; V63-L174 HydrophobicContact CG1-CD1 3.99Å; V63-L174 HydrophobicContact CG2-CD2 4.09Å; V63-I184 HydrophobicContact CG2-CG2 4.14Å; V63-I185 PolarHBondContact N-O 3.28Å; V63-L186 HydrophobicContact CB-CD2 3.86Å; V63-L186 HydrophobicContact CG1-CD2 4.37Å; V63-L186 HydrophobicContact CG2-CD2 4.48Å; V63-L186 CarbonylContact O-C 3.51Å; V63-L186 WeakPolarHBondContact O-CA 3.38Å; V63-L187 PolarHBondContact O-N 3.02Å; V63-F199 HydrophobicContact CG1-CE2 3.96Å; V63-V202 HydrophobicContact CG1-CG1 3.97Å
64G93.8Very high92.7Very high0 Ų020.5 Ų20.50%011%0.11CC..EExtended strand (participates in β ladder)trans172.5164.5176.400000112.4K70 I156G64-K70 PolarHBondContact O-NZ 3.01Å; G64-I156 PolarHBondContact O-N 3.45Å; G64-I156 VanDerWaalsContact O-N 3.09Å
65Q90.8Very high92.9Very high22 Ų2225.4 Ų25.410%0.10313%0.128CC..BIsolated β-bridgetrans-62.9174.8178.4-71.9-169.6-19.900113.2T68 K70 I156 D194 S196 F199Q65-T68 HydrophobicContact CB-CG2 3.95Å; Q65-T68 WeakPolarHBondContact O-CG2 3.33Å; Q65-T68 PolarHBondContact O-OG1 3.26Å; Q65-T68 VanDerWaalsContact O-OG1 3.08Å; Q65-K70 PolarHBondContact O-NZ 3.19Å; Q65-I156 CarbonylContact C-O 3.51Å; Q65-I156 VanDerWaalsContact CA-O 3.27Å; Q65-I156 WeakPolarHBondContact CA-O 3.39Å; Q65-I156 HydrophobicContact CG-CB 4.42Å; Q65-D194 PolarHBondContact NE2-O 3.12Å; Q65-D194 PolarHBondContact OE1-O 2.88Å; Q65-D194 VanDerWaalsContact OE1-O 3.09Å; Q65-S196 VanDerWaalsContact NE2-CB 3.3Å; Q65-S196 PolarHBondContact NE2-OG 3.28Å; Q65-F199 HydrophobicContact CG-CB 4.31Å; Q65-F199 HydrophobicContact CG-CD1 3.69Å; Q65-F199 HydrophobicContact CG-CE1 4.26Å; Q65-F199 HydrophobicContact CG-CG 4.22Å
66Y87.4Confident93.2Very high57 Ų5721.9 Ų21.922%0.22411%0.109CC..THydrogen-bonded Turntrans-57.5140175.2-161.9-99.1000112.3T68 G88 P89 E90 P91 T92 I156Y66-T68 PolarHBondContact O-N 3.42Å; Y66-T68 VanDerWaalsContact O-N 3.12Å; Y66-G88 PolarHBondContact OH-O 3.46Å; Y66-P89 WeakPolarHBondContact CE1-O 3.23Å; Y66-E90 VanDerWaalsContact CZ-C 3.49Å; Y66-E90 PolarHBondContact OH-O 3.43Å; Y66-P91 HydrophobicContact CE1-CG 4.43Å; Y66-P91 HydrophobicContact CE2-CB 4.12Å; Y66-P91 HydrophobicContact CE2-CG 4.36Å; Y66-P91 VanDerWaalsContact CZ-N 3.33Å; Y66-P91 VanDerWaalsContact OH-CA 3.24Å; Y66-P91 WeakPolarHBondContact OH-CA 3.37Å; Y66-T92 PolarHBondContact OH-N 2.99Å; Y66-I156 PolarHBondContact N-O 3.27Å
67S87.3Confident93.4Very high54 Ų5421 Ų2138%0.37810%0.104SC..THydrogen-bonded Turntrans62.412.4176.7-155.70000116.5G69 K219S67-G69 PolarHBondContact O-N 3.12Å; S67-K219 WeakPolarHBondContact O-CE 3.4Å; S67-K219 PolarHBondContact O-NZ 2.8Å
68T92.2Very high93.4Very high5 Ų517.5 Ų17.53%0.0319%0.089CC..SBendtrans-72.2-6176.759.70000114.5Q65 Y66 D189 N218Q65-T68 HydrophobicContact CB-CG2 3.95Å; Q65-T68 WeakPolarHBondContact O-CG2 3.33Å; Q65-T68 PolarHBondContact O-OG1 3.26Å; Q65-T68 VanDerWaalsContact O-OG1 3.08Å; Y66-T68 PolarHBondContact O-N 3.42Å; Y66-T68 VanDerWaalsContact O-N 3.12Å; T68-D189 HydrophobicContact CG2-CB 4.33Å; T68-N218 PolarHBondContact O-ND2 2.83Å
69G92.8Very high93.1Very high12 Ų1223.5 Ų23.512%0.12412%0.116CC..SBendtrans9421.5174.400000115.8S67 T72 F73S67-G69 PolarHBondContact O-N 3.12Å; G69-T72 PolarHBondContact O-N 2.84Å; G69-F73 VanDerWaalsContact O-CB 3.3Å; G69-F73 WeakPolarHBondContact O-CB 3.47Å; G69-F73 PolarHBondContact O-N 2.84Å
70K94.5Very high92.7Very high13 Ų1326.8 Ų26.86%0.05713%0.131CC..Hα-helixtrans-52.1-59.2178.1-63.6-179.1-68.8-660113.2L62 G64 Q65 T72 F73 I74 D152 T153 L187L62-K70 HydrophobicContact CB-CB 4.36Å; L62-K70 HydrophobicContact CB-CD 4.36Å; L62-K70 HydrophobicContact CB-CG 4.28Å; L62-K70 HydrophobicContact CD2-CB 4.16Å; G64-K70 PolarHBondContact O-NZ 3.01Å; Q65-K70 PolarHBondContact O-NZ 3.19Å; K70-T72 VanDerWaalsContact C-N 3.29Å; K70-T72 PolarHBondContact O-N 2.95Å; K70-F73 WeakPolarHBondContact O-CB 3.24Å; K70-F73 PolarHBondContact O-N 3.35Å; K70-F73 VanDerWaalsContact O-N 3.11Å; K70-I74 WeakPolarHBondContact O-CG1 3.46Å; K70-I74 PolarHBondContact O-N 3.2Å; K70-I74 VanDerWaalsContact O-N 3.07Å; K70-D152 WeakPolarHBondContact CB-OD1 3.48Å; K70-T153 WeakPolarHBondContact CE-O 3.19Å; K70-L187 HydrophobicContact CG-CD1 4.24Å; K70-L187 HydrophobicContact CG-CD2 4.32Å
71T93.7Very high92.5Very high13 Ų1330.4 Ų30.48%0.0815%0.151CC..Hα-helixtrans-61.2-37.9-179.9-48.90000112.1I74 R75 F82 M85 I87 T93 D152T71-I74 PolarHBondContact O-N 3.39Å; T71-R75 PolarHBondContact O-N 3.42Å; T71-R75 VanDerWaalsContact O-N 3.08Å; T71-F82 HydrophobicContact CG2-CE1 4.13Å; T71-F82 HydrophobicContact CG2-CZ 3.86Å; T71-M85 HydrophobicContact CG2-CB 4Å; T71-M85 HydrophobicContact CG2-CE 4.14Å; T71-I87 HydrophobicContact CG2-CD1 4.45Å; T71-I87 HydrophobicContact CG2-CG1 3.83Å; T71-T93 PolarHBondContact OG1-OG1 3.42Å; T71-D152 PolarHBondContact OG1-OD2 3.38Å
72T92.9Very high92.2Very high36 Ų3630.7 Ų30.722%0.22115%0.152CC..Hα-helixtrans-66.1-39.2175.2-51.90000112G69 K70 I74 R75 H76 W257G69-T72 PolarHBondContact O-N 2.84Å; K70-T72 VanDerWaalsContact C-N 3.29Å; K70-T72 PolarHBondContact O-N 2.95Å; T72-I74 VanDerWaalsContact C-N 3.34Å; T72-I74 PolarHBondContact O-N 2.86Å; T72-R75 PolarHBondContact O-N 3.08Å; T72-H76 WeakPolarHBondContact O-CB 3.35Å; T72-H76 PolarHBondContact O-N 2.85Å; T72-W257 HydrophobicContact CG2-CB 3.9Å
73F95.4Very high92Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-62.5-41.5176.2179.9-81.8000111.2L62 G69 K70 H76 L77 I185 L187 F256 L277L62-F73 HydrophobicContact CD2-CB 4.28Å; L62-F73 HydrophobicContact CD2-CD1 3.66Å; L62-F73 HydrophobicContact CD2-CE1 4.37Å; L62-F73 HydrophobicContact CD2-CG 4.27Å; G69-F73 VanDerWaalsContact O-CB 3.3Å; G69-F73 WeakPolarHBondContact O-CB 3.47Å; G69-F73 PolarHBondContact O-N 2.84Å; K70-F73 WeakPolarHBondContact O-CB 3.24Å; K70-F73 PolarHBondContact O-N 3.35Å; K70-F73 VanDerWaalsContact O-N 3.11Å; F73-H76 WeakPolarHBondContact O-CB 3.16Å; F73-H76 PolarHBondContact O-N 3.19Å; F73-L77 HydrophobicContact CD1-CD1 3.84Å; F73-L77 HydrophobicContact CD1-CG 4.07Å; F73-L77 HydrophobicContact CE1-CD1 3.32Å; F73-L77 HydrophobicContact CE1-CD2 4.33Å; F73-L77 HydrophobicContact CE1-CG 3.76Å; F73-L77 HydrophobicContact CZ-CD1 4.09Å; F73-L77 HydrophobicContact CZ-CD2 4.36Å; F73-L77 HydrophobicContact CZ-CG 4.25Å; F73-L77 WeakPolarHBondContact O-CG 3.44Å; F73-L77 PolarHBondContact O-N 3.39Å; F73-I185 HydrophobicContact CE1-CD1 3.85Å; F73-I185 HydrophobicContact CZ-CD1 3.99Å; F73-L187 HydrophobicContact CB-CD2 4.11Å; F73-L187 HydrophobicContact CD2-CD2 4.4Å; F73-L187 HydrophobicContact CG-CD2 4.35Å; F73-F256 HydrophobicContact CD2-CB 3.41Å; F73-F256 VanDerWaalsContact CD2-CB 3.41Å; F73-F256 AromaticContact CD2-CD1 3.99Å; F73-F256 HydrophobicContact CD2-CD1 3.99Å; F73-F256 HydrophobicContact CD2-CD2 4.22Å; F73-F256 AromaticContact CD2-CG 3.6Å; F73-F256 HydrophobicContact CD2-CG 3.6Å; F73-F256 HydrophobicContact CE2-CB 3.9Å; F73-F256 AromaticContact CE2-CD1 3.53Å; F73-F256 HydrophobicContact CE2-CD1 3.53Å; F73-F256 HydrophobicContact CE2-CD2 4.22Å; F73-F256 HydrophobicContact CE2-CE1 4.08Å; F73-F256 AromaticContact CE2-CG 3.6Å; F73-F256 HydrophobicContact CE2-CG 3.6Å; F73-F256 HydrophobicContact CG-CB 4.39Å; F73-L277 HydrophobicContact CE2-CD2 3.72Å; F73-L277 HydrophobicContact CZ-CD2 3.65Å
74I95.3Very high91.5Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-63-48.1175.7-59.5175.1000110.6L62 K70 T71 T72 H76 L77 M78 F82 I150 D152L62-I74 HydrophobicContact CD1-CD1 3.97Å; L62-I74 HydrophobicContact CD1-CG1 3.92Å; L62-I74 HydrophobicContact CD2-CD1 4.18Å; L62-I74 HydrophobicContact CD2-CG1 3.72Å; L62-I74 HydrophobicContact CG-CG1 4.5Å; K70-I74 WeakPolarHBondContact O-CG1 3.46Å; K70-I74 PolarHBondContact O-N 3.2Å; K70-I74 VanDerWaalsContact O-N 3.07Å; T71-I74 PolarHBondContact O-N 3.39Å; T72-I74 VanDerWaalsContact C-N 3.34Å; T72-I74 PolarHBondContact O-N 2.86Å; I74-H76 PolarHBondContact O-N 3.05Å; I74-L77 PolarHBondContact O-N 2.75Å; I74-M78 HydrophobicContact CG2-SD 3.64Å; I74-M78 WeakPolarHBondContact O-CB 3.4Å; I74-M78 WeakPolarHBondContact O-CG 3.35Å; I74-M78 PolarHBondContact O-N 2.79Å; I74-F82 HydrophobicContact CB-CE1 3.94Å; I74-F82 HydrophobicContact CD1-CZ 4.41Å; I74-F82 HydrophobicContact CG2-CD1 3.98Å; I74-F82 HydrophobicContact CG2-CE1 3.61Å; I74-F82 HydrophobicContact CG2-CZ 4.31Å; I74-I150 HydrophobicContact CD1-CG2 3.77Å; I74-I150 HydrophobicContact CG1-CG2 3.84Å; I74-I150 HydrophobicContact CG2-CD1 4.2Å; I74-I150 HydrophobicContact CG2-CG2 4.36Å; I74-D152 HydrophobicContact CD1-CB 3.44Å; I74-D152 VanDerWaalsContact CD1-CB 3.44Å
75R92.4Very high91.1Very high111 Ų11135.5 Ų35.542%0.41919%0.188SC..Hα-helixtrans-57.1-41.4175.2179-166.9168.6144.4-7.8111.4T71 T72 M78 E79 Q80 D81 M85T71-R75 PolarHBondContact O-N 3.42Å; T71-R75 VanDerWaalsContact O-N 3.08Å; T72-R75 PolarHBondContact O-N 3.08Å; R75-M78 PolarHBondContact O-N 2.96Å; R75-E79 VanDerWaalsContact O-CA 3.26Å; R75-E79 WeakPolarHBondContact O-CA 3.21Å; R75-E79 PolarHBondContact O-N 3.29Å; R75-Q80 PolarHBondContact O-N 3.41Å; R75-D81 WeakPolarHBondContact CD-OD1 3.2Å; R75-D81 WeakPolarHBondContact CG-OD1 3.45Å; R75-D81 IonicContact CZ-OD1 3.19Å; R75-D81 IonicContact CZ-OD2 2.9Å; R75-D81 IonicContact NE-OD1 3.33Å; R75-D81 PolarHBondContact NE-OD1 2.92Å; R75-D81 VanDerWaalsContact NE-OD1 3.13Å; R75-D81 IonicContact NH1-OD1 2.95Å; R75-D81 PolarHBondContact NH1-OD1 2.91Å; R75-D81 IonicContact NH1-OD2 3.22Å; R75-D81 PolarHBondContact NH1-OD2 2.91Å; R75-D81 IonicContact NH2-OD1 3.6Å; R75-M85 HydrophobicContact CB-CE 4.11Å; R75-M85 HydrophobicContact CG-CE 4.33Å
76H91Very high90.5Very high23 Ų2342 Ų4211%0.10621%0.211CC..Hα-helixtrans-62.2-52.5177.5-174.667000110.9T72 F73 I74 M78 E79 F256 W257 E274 F278 A412T72-H76 WeakPolarHBondContact O-CB 3.35Å; T72-H76 PolarHBondContact O-N 2.85Å; F73-H76 WeakPolarHBondContact O-CB 3.16Å; F73-H76 PolarHBondContact O-N 3.19Å; I74-H76 PolarHBondContact O-N 3.05Å; H76-M78 VanDerWaalsContact C-N 3.28Å; H76-M78 PolarHBondContact O-N 3.16Å; H76-E79 WeakPolarHBondContact O-CG 3.25Å; H76-E79 PolarHBondContact O-N 2.97Å; H76-E79 VanDerWaalsContact O-N 3.13Å; H76-F256 WeakPolarHBondContact CB-O 3.26Å; H76-W257 WeakPolarHBondContact ND1-CA 3.47Å; H76-E274 IonicContact CD2-OE1 3.83Å; H76-E274 IonicContact CE1-OE1 2.89Å; H76-E274 IonicContact NE2-OE1 2.91Å; H76-E274 PolarHBondContact NE2-OE1 2.68Å; H76-F278 AromaticContact CD2-CZ 3.89Å; H76-F278 AromaticContact NE2-CZ 3.95Å; H76-A412 WeakPolarHBondContact O-CB 3.34Å
77L91.2Very high90Very high3 Ų343.4 Ų43.42%0.01622%0.222CC..Hα-helixtrans-55.1-43.1176.8-74.7-175.5000113.2F73 I74 I150 F278 I281 A412 F413F73-L77 HydrophobicContact CD1-CD1 3.84Å; F73-L77 HydrophobicContact CD1-CG 4.07Å; F73-L77 HydrophobicContact CE1-CD1 3.32Å; F73-L77 HydrophobicContact CE1-CD2 4.33Å; F73-L77 HydrophobicContact CE1-CG 3.76Å; F73-L77 HydrophobicContact CZ-CD1 4.09Å; F73-L77 HydrophobicContact CZ-CD2 4.36Å; F73-L77 HydrophobicContact CZ-CG 4.25Å; F73-L77 WeakPolarHBondContact O-CG 3.44Å; F73-L77 PolarHBondContact O-N 3.39Å; I74-L77 PolarHBondContact O-N 2.75Å; L77-I150 HydrophobicContact CD1-CD1 4.42Å; L77-F278 HydrophobicContact CD2-CD1 3.73Å; L77-F278 HydrophobicContact CD2-CE1 3.26Å; L77-F278 HydrophobicContact CD2-CE2 4.46Å; L77-F278 HydrophobicContact CD2-CZ 3.7Å; L77-I281 HydrophobicContact CD1-CD1 4.21Å; L77-I281 HydrophobicContact CD2-CD1 4.41Å; L77-A412 PolarHBondContact O-N 3.37Å; L77-F413 HydrophobicContact CB-CE2 4.42Å; L77-F413 HydrophobicContact CD2-CE1 4.36Å; L77-F413 HydrophobicContact CD2-CE2 4.18Å; L77-F413 HydrophobicContact CD2-CZ 3.73Å
78M90.9Very high89Confident3 Ų342 Ų422%0.01522%0.216CC..Hα-helixtrans-84.3-12.3-176.5-68.317552.100113.5I74 R75 H76 Q80 F82 V99 M140 N142 L145 I150I74-M78 HydrophobicContact CG2-SD 3.64Å; I74-M78 WeakPolarHBondContact O-CB 3.4Å; I74-M78 WeakPolarHBondContact O-CG 3.35Å; I74-M78 PolarHBondContact O-N 2.79Å; R75-M78 PolarHBondContact O-N 2.96Å; H76-M78 VanDerWaalsContact C-N 3.28Å; H76-M78 PolarHBondContact O-N 3.16Å; M78-Q80 HydrophobicContact CB-CB 4.45Å; M78-Q80 WeakPolarHBondContact O-CB 3.42Å; M78-Q80 PolarHBondContact O-N 3.01Å; M78-Q80 VanDerWaalsContact O-N 3.07Å; M78-F82 HydrophobicContact CE-CB 4.33Å; M78-V99 HydrophobicContact CE-CG1 4.14Å; M78-V99 HydrophobicContact SD-CG1 3.91Å; M78-M140 HydrophobicContact CE-CE 3.95Å; M78-M140 HydrophobicContact CE-CG 4.31Å; M78-M140 HydrophobicContact CE-SD 3.39Å; M78-M140 WeakPolarHBondContact CE-SD 3.16Å; M78-N142 HydrophobicContact CE-CB 4.2Å; M78-N142 PolarHBondContact O-ND2 2.96Å; M78-L145 HydrophobicContact CE-CD1 3.66Å; M78-L145 HydrophobicContact CE-CD2 4.44Å; M78-L145 HydrophobicContact CE-CG 4.07Å; M78-L145 HydrophobicContact SD-CD1 4.34Å; M78-L145 HydrophobicContact SD-CD2 4.08Å; M78-L145 HydrophobicContact SD-CG 4.33Å; M78-I150 HydrophobicContact CG-CD1 4.5Å; M78-I150 HydrophobicContact SD-CD1 4.39Å
79E87.9Confident87.3Confident137 Ų13747.6 Ų47.664%0.6425%0.252SS*.THydrogen-bonded Turntrans46.228.8-166.4-64.7-176158.100113.8R75 H76 G411 A412R75-E79 VanDerWaalsContact O-CA 3.26Å; R75-E79 WeakPolarHBondContact O-CA 3.21Å; R75-E79 PolarHBondContact O-N 3.29Å; H76-E79 WeakPolarHBondContact O-CG 3.25Å; H76-E79 PolarHBondContact O-N 2.97Å; H76-E79 VanDerWaalsContact O-N 3.13Å; E79-G411 VanDerWaalsContact CD-C 3.48Å; E79-A412 HydrophobicContact CG-CB 4.27Å
80Q88.2Confident85.7Confident70 Ų7054.2 Ų54.233%0.32728%0.28SS..SBendtrans-151.7142.9-171.7-162.5-178.9-7.700110.3R75 M78 M140 N142R75-Q80 PolarHBondContact O-N 3.41Å; M78-Q80 HydrophobicContact CB-CB 4.45Å; M78-Q80 WeakPolarHBondContact O-CB 3.42Å; M78-Q80 PolarHBondContact O-N 3.01Å; M78-Q80 VanDerWaalsContact O-N 3.07Å; Q80-M140 HydrophobicContact CB-CE 4.31Å; Q80-M140 HydrophobicContact CG-CE 3.74Å; Q80-N142 PolarHBondContact OE1-ND2 3.35Å
81D91.7Very high84.1Confident79 Ų7958.2 Ų58.242%0.42231%0.307SS..  trans-72.3146.7168.9-75-24000110.2R75 M85 M140R75-D81 WeakPolarHBondContact CD-OD1 3.2Å; R75-D81 WeakPolarHBondContact CG-OD1 3.45Å; R75-D81 IonicContact CZ-OD1 3.19Å; R75-D81 IonicContact CZ-OD2 2.9Å; R75-D81 IonicContact NE-OD1 3.33Å; R75-D81 PolarHBondContact NE-OD1 2.92Å; R75-D81 VanDerWaalsContact NE-OD1 3.13Å; R75-D81 IonicContact NH1-OD1 2.95Å; R75-D81 PolarHBondContact NH1-OD1 2.91Å; R75-D81 IonicContact NH1-OD2 3.22Å; R75-D81 PolarHBondContact NH1-OD2 2.91Å; R75-D81 IonicContact NH2-OD1 3.6Å; D81-M85 WeakPolarHBondContact CA-SD 3.24Å; D81-M85 HydrophobicContact CB-SD 3.4Å; D81-M85 WeakPolarHBondContact CB-SD 3.42Å; D81-M85 VanDerWaalsContact CG-SD 3.56Å; D81-M85 WeakPolarHBondContact OD1-CE 3.4Å; D81-M140 VanDerWaalsContact O-CE 3.29Å; D81-M140 WeakPolarHBondContact O-CE 3.28Å
82F93.9Very high82.5Confident7 Ų759.1 Ų59.13%0.03131%0.313CS..  trans-120.1150.8-179.463.3-91.5000113T71 I74 M78 G84 M85 I97 V99 A138 M140T71-F82 HydrophobicContact CG2-CE1 4.13Å; T71-F82 HydrophobicContact CG2-CZ 3.86Å; I74-F82 HydrophobicContact CB-CE1 3.94Å; I74-F82 HydrophobicContact CD1-CZ 4.41Å; I74-F82 HydrophobicContact CG2-CD1 3.98Å; I74-F82 HydrophobicContact CG2-CE1 3.61Å; I74-F82 HydrophobicContact CG2-CZ 4.31Å; M78-F82 HydrophobicContact CE-CB 4.33Å; F82-G84 PolarHBondContact O-N 3.18Å; F82-M85 HydrophobicContact CD1-CB 4.1Å; F82-M85 HydrophobicContact CD1-SD 4.09Å; F82-M85 HydrophobicContact CD2-CB 3.84Å; F82-M85 HydrophobicContact CE1-CB 3.86Å; F82-M85 HydrophobicContact CE1-CE 4.39Å; F82-M85 HydrophobicContact CE1-SD 4.39Å; F82-M85 HydrophobicContact CE2-CB 3.58Å; F82-M85 HydrophobicContact CG-CB 4.09Å; F82-M85 HydrophobicContact CG-SD 4.45Å; F82-M85 HydrophobicContact CZ-CB 3.62Å; F82-M85 PolarHBondContact N-SD 3.2Å; F82-M85 WeakPolarHBondContact O-CB 3.32Å; F82-M85 WeakPolarHBondContact O-CG 3.43Å; F82-M85 PolarHBondContact O-N 3.37Å; F82-I97 HydrophobicContact CE2-CD1 4.28Å; F82-I97 HydrophobicContact CE2-CG2 4.12Å; F82-V99 HydrophobicContact CB-CG1 4.26Å; F82-V99 HydrophobicContact CD2-CG1 4.45Å; F82-V99 HydrophobicContact CD2-CG2 3.76Å; F82-V99 HydrophobicContact CE2-CG2 3.69Å; F82-V99 HydrophobicContact CG-CG1 4.29Å; F82-V99 HydrophobicContact CG-CG2 4.25Å; F82-V99 HydrophobicContact CZ-CG2 4.12Å; F82-A138 HydrophobicContact CD2-CB 4.17Å; F82-M140 HydrophobicContact CB-SD 3.34Å; F82-M140 WeakPolarHBondContact CB-SD 3.39Å
83P93Very high81.1Confident24 Ų2458.2 Ų58.216%0.15631%0.308CS..THydrogen-bonded Turntrans-56.8134-178.9-27.135.5000113.3M85 D105 V107 A138P83-M85 VanDerWaalsContact C-N 3.28Å; P83-M85 PolarHBondContact O-N 3.39Å; P83-D105 HydrophobicContact CG-CB 4.06Å; P83-V107 HydrophobicContact CB-CG2 3.54Å; P83-A138 HydrophobicContact CB-CB 4.41Å; P83-A138 WeakPolarHBondContact O-CB 3.26Å
84G85.6Confident80.2Confident41 Ų4162.2 Ų62.242%0.42333%0.329SS..THydrogen-bonded Turntrans81.4-217900000115.1F82F82-G84 PolarHBondContact O-N 3.18Å
85M85.8Confident79.9Confident35 Ų3563.1 Ų63.117%0.17234%0.335CS..  trans-65.1145.9175.177.4-177.1-71.300112.2T71 R75 D81 F82 P83 I87T71-M85 HydrophobicContact CG2-CB 4Å; T71-M85 HydrophobicContact CG2-CE 4.14Å; R75-M85 HydrophobicContact CB-CE 4.11Å; R75-M85 HydrophobicContact CG-CE 4.33Å; D81-M85 WeakPolarHBondContact CA-SD 3.24Å; D81-M85 HydrophobicContact CB-SD 3.4Å; D81-M85 WeakPolarHBondContact CB-SD 3.42Å; D81-M85 VanDerWaalsContact CG-SD 3.56Å; D81-M85 WeakPolarHBondContact OD1-CE 3.4Å; F82-M85 HydrophobicContact CD1-CB 4.1Å; F82-M85 HydrophobicContact CD1-SD 4.09Å; F82-M85 HydrophobicContact CD2-CB 3.84Å; F82-M85 HydrophobicContact CE1-CB 3.86Å; F82-M85 HydrophobicContact CE1-CE 4.39Å; F82-M85 HydrophobicContact CE1-SD 4.39Å; F82-M85 HydrophobicContact CE2-CB 3.58Å; F82-M85 HydrophobicContact CG-CB 4.09Å; F82-M85 HydrophobicContact CG-SD 4.45Å; F82-M85 HydrophobicContact CZ-CB 3.62Å; F82-M85 PolarHBondContact N-SD 3.2Å; F82-M85 WeakPolarHBondContact O-CB 3.32Å; F82-M85 WeakPolarHBondContact O-CG 3.43Å; F82-M85 PolarHBondContact O-N 3.37Å; P83-M85 VanDerWaalsContact C-N 3.28Å; P83-M85 PolarHBondContact O-N 3.39Å; M85-I87 HydrophobicContact CE-CD1 3.37Å; M85-I87 HydrophobicContact CE-CG1 3.8Å
86R78.1Confident80Confident158 Ų15857.8 Ų57.860%0.59632%0.315SS*.  trans-140.2112.1173.2-61.2-177.5178.1179.90110.2T92R86-T92 HydrophobicContact CB-CG2 4.46Å; R86-T92 WeakPolarHBondContact CD-O 3.18Å; R86-T92 WeakPolarHBondContact O-CB 3.34Å; R86-T92 PolarHBondContact O-OG1 3.31Å
87I75.9Confident80.3Confident87 Ų8756.9 Ų56.945%0.44631%0.311SS..  trans-105.3123.1175.3-59.9177.6000108.5T71 M85T71-I87 HydrophobicContact CG2-CD1 4.45Å; T71-I87 HydrophobicContact CG2-CG1 3.83Å; M85-I87 HydrophobicContact CE-CD1 3.37Å; M85-I87 HydrophobicContact CE-CG1 3.8Å
88G66.6Low80.6Confident25 Ų2556.8 Ų56.826%0.25831%0.31SS..  trans-169.6163.3176.200000113.4Y66 E90 T92Y66-G88 PolarHBondContact OH-O 3.46Å; G88-E90 VanDerWaalsContact C-N 3.34Å; G88-T92 VanDerWaalsContact CA-CG2 3.49Å
89P55.8Low80.9Confident122 Ų12256.6 Ų56.679%0.79231%0.31SS*.SBendtrans-73.4-22.5-177.428.8-34000113.7Y66Y66-P89 WeakPolarHBondContact CE1-O 3.23Å
90E60.1Low81.3Confident151 Ų15151 Ų5171%0.70628%0.284SS*.SBendtrans-98152.5175.9-63.3-174.317300111.4Y66 G88 T92Y66-E90 VanDerWaalsContact CZ-C 3.49Å; Y66-E90 PolarHBondContact OH-O 3.43Å; G88-E90 VanDerWaalsContact C-N 3.34Å; E90-T92 WeakPolarHBondContact O-CG2 3.48Å; E90-T92 PolarHBondContact O-N 2.95Å
91P60.3Low81.7Confident97 Ų9749.8 Ų49.863%0.6328%0.278SS*.SBendtrans-36.685179.5-32.337.3000117Y66Y66-P91 HydrophobicContact CE1-CG 4.43Å; Y66-P91 HydrophobicContact CE2-CB 4.12Å; Y66-P91 HydrophobicContact CE2-CG 4.36Å; Y66-P91 VanDerWaalsContact CZ-N 3.33Å; Y66-P91 VanDerWaalsContact OH-CA 3.24Å; Y66-P91 WeakPolarHBondContact OH-CA 3.37Å
92T60Low81.9Confident32 Ų3246.5 Ų46.520%0.19626%0.262CS..  trans-92.2-45.5-170.853.90000113.5Y66 R86 G88 E90Y66-T92 PolarHBondContact OH-N 2.99Å; R86-T92 HydrophobicContact CB-CG2 4.46Å; R86-T92 WeakPolarHBondContact CD-O 3.18Å; R86-T92 WeakPolarHBondContact O-CB 3.34Å; R86-T92 PolarHBondContact O-OG1 3.31Å; G88-T92 VanDerWaalsContact CA-CG2 3.49Å; E90-T92 WeakPolarHBondContact O-CG2 3.48Å; E90-T92 PolarHBondContact O-N 2.95Å
93T63.2Low81.9Confident18 Ų1854 Ų5411%0.1130%0.297CS..  trans-96.9102.8179.8-51.10000109.9T71 S95 I97T71-T93 PolarHBondContact OG1-OG1 3.42Å; T93-S95 WeakPolarHBondContact CG2-O 3.18Å; T93-I97 HydrophobicContact CG2-CD1 4.38Å
94D78.1Confident82Confident84 Ų8460.3 Ų60.345%0.44933%0.325SS..  trans-103.4-0.8177.869.5-14.4000113.4
95S88.6Confident82.5Confident18 Ų1863.2 Ų63.213%0.12633%0.331CS..SBendtrans-126.9149.5-170.5-61.70000111.7T93 R134T93-S95 WeakPolarHBondContact CG2-O 3.18Å; S95-R134 CarbonylContact C-O 3.55Å; S95-R134 WeakPolarHBondContact CA-O 3.38Å; S95-R134 WeakPolarHBondContact CB-O 3.33Å
96F95.1Very high82.9Confident0 Ų062.8 Ų62.80%034%0.336CS..EExtended strand (participates in β ladder)trans-75.1130.2167.3-74.2-100.1000109.1F131 R134 F135 M136 D152 T153 P154 Y168 F170 V173 L174 F177F96-F131 HydrophobicContact CD2-CD2 4.42Å; F96-F131 AromaticContact CD2-CE2 3.57Å; F96-F131 HydrophobicContact CD2-CE2 3.57Å; F96-F131 HydrophobicContact CD2-CZ 4.39Å; F96-F131 AromaticContact CE2-CE2 3.82Å; F96-F131 HydrophobicContact CE2-CE2 3.82Å; F96-F131 HydrophobicContact CG-CE2 4.14Å; F96-R134 PolarHBondContact N-O 3.22Å; F96-F135 HydrophobicContact CB-CD2 3.64Å; F96-F135 HydrophobicContact CB-CE2 4.36Å; F96-F135 WeakPolarHBondContact O-CA 3.25Å; F96-M136 PolarHBondContact O-N 2.78Å; F96-D152 WeakPolarHBondContact CA-O 3.4Å; F96-T153 HydrophobicContact CD1-CG2 3.94Å; F96-T153 HydrophobicContact CE1-CG2 3.71Å; F96-P154 VanDerWaalsContact CD2-CD 3.48Å; F96-P154 HydrophobicContact CD2-CG 3.74Å; F96-P154 HydrophobicContact CE2-CG 3.82Å; F96-P154 HydrophobicContact CG-CG 4.37Å; F96-P154 HydrophobicContact CZ-CG 4.5Å; F96-Y168 AromaticContact CE2-CE2 3.92Å; F96-Y168 HydrophobicContact CE2-CE2 3.92Å; F96-Y168 WeakPolarHBondContact CE2-OH 3.43Å; F96-F170 HydrophobicContact CE1-CE2 4.4Å; F96-F170 AromaticContact CE2-CD2 3.84Å; F96-F170 HydrophobicContact CE2-CD2 3.84Å; F96-F170 AromaticContact CE2-CE2 3.7Å; F96-F170 HydrophobicContact CE2-CE2 3.7Å; F96-F170 AromaticContact CZ-CD2 3.71Å; F96-F170 HydrophobicContact CZ-CD2 3.71Å; F96-F170 AromaticContact CZ-CE2 3.39Å; F96-F170 HydrophobicContact CZ-CE2 3.39Å; F96-F170 HydrophobicContact CZ-CZ 4.21Å; F96-V173 HydrophobicContact CD1-CG1 4.47Å; F96-V173 HydrophobicContact CE1-CG1 3.85Å; F96-V173 HydrophobicContact CE2-CG1 4.03Å; F96-V173 HydrophobicContact CZ-CB 4.35Å; F96-V173 HydrophobicContact CZ-CG1 3.59Å; F96-L174 HydrophobicContact CE1-CD2 3.82Å; F96-L174 HydrophobicContact CZ-CD2 4.27Å; F96-F177 HydrophobicContact CD1-CD2 4.43Å; F96-F177 AromaticContact CD1-CE2 3.85Å; F96-F177 HydrophobicContact CD1-CE2 3.85Å; F96-F177 HydrophobicContact CE1-CD2 4.31Å; F96-F177 HydrophobicContact CE1-CE2 4.11Å
97I96.6Very high83.8Confident4 Ų458.3 Ų58.32%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-122.5111.5-179.7-49.4179.4000108.8F82 T93 V99 M136 A138 I151 D152F82-I97 HydrophobicContact CE2-CD1 4.28Å; F82-I97 HydrophobicContact CE2-CG2 4.12Å; T93-I97 HydrophobicContact CG2-CD1 4.38Å; I97-V99 HydrophobicContact CG2-CG2 4.01Å; I97-V99 PolarHBondContact O-N 3.42Å; I97-M136 WeakPolarHBondContact CA-O 3.37Å; I97-M136 HydrophobicContact CB-CG 4.43Å; I97-M136 HydrophobicContact CD1-SD 4.39Å; I97-M136 HydrophobicContact CG1-CG 3.99Å; I97-M136 HydrophobicContact CG1-SD 4.18Å; I97-M136 HydrophobicContact CG2-CG 4.28Å; I97-M136 HydrophobicContact CG2-SD 4.48Å; I97-A138 HydrophobicContact CG2-CB 3.8Å; I97-I151 WeakPolarHBondContact O-CA 3.41Å; I97-D152 HydrophobicContact CB-CB 4.22Å; I97-D152 PolarHBondContact N-O 2.91Å; I97-D152 PolarHBondContact O-N 3.16Å
98A97.4Very high84.7Confident0 Ų056.3 Ų56.30%032%0.315CS..EExtended strand (participates in β ladder)trans-82.998.2169.100000109.4M100 F121 F135 M136 C137 A138 I151A98-M100 HydrophobicContact CB-CG 4.42Å; A98-M100 PolarHBondContact O-N 3.49Å; A98-F121 HydrophobicContact CB-CE2 4.04Å; A98-F121 HydrophobicContact CB-CZ 3.8Å; A98-F135 HydrophobicContact CB-CE2 4.17Å; A98-F135 HydrophobicContact CB-CZ 4.45Å; A98-M136 PolarHBondContact N-O 2.93Å; A98-C137 HydrophobicContact CB-CB 4.31Å; A98-C137 CarbonylContact O-C 3.54Å; A98-C137 WeakPolarHBondContact O-CA 3.44Å; A98-C137 PolarHBondContact O-SG 3.19Å; A98-A138 PolarHBondContact O-N 2.87Å; A98-I151 HydrophobicContact CB-CD1 3.66Å
99V97.7Very high86.1Confident0 Ų058.9 Ų58.90%033%0.327CS..EExtended strand (participates in β ladder)trans-81.5112.3175.9-169.60000108.5M78 F82 I97 A138 L145 I150M78-V99 HydrophobicContact CE-CG1 4.14Å; M78-V99 HydrophobicContact SD-CG1 3.91Å; F82-V99 HydrophobicContact CB-CG1 4.26Å; F82-V99 HydrophobicContact CD2-CG1 4.45Å; F82-V99 HydrophobicContact CD2-CG2 3.76Å; F82-V99 HydrophobicContact CE2-CG2 3.69Å; F82-V99 HydrophobicContact CG-CG1 4.29Å; F82-V99 HydrophobicContact CG-CG2 4.25Å; F82-V99 HydrophobicContact CZ-CG2 4.12Å; I97-V99 HydrophobicContact CG2-CG2 4.01Å; I97-V99 PolarHBondContact O-N 3.42Å; V99-A138 WeakPolarHBondContact CA-O 3.34Å; V99-A138 HydrophobicContact CG2-CB 4.49Å; V99-L145 HydrophobicContact CG1-CD1 3.81Å; V99-L145 HydrophobicContact CG1-CD2 4.06Å; V99-I150 HydrophobicContact CB-CB 4.38Å; V99-I150 PolarHBondContact N-O 2.7Å; V99-I150 PolarHBondContact O-N 3.08Å
100M96.6Very high88Confident19 Ų1953.1 Ų53.19%0.09429%0.29CS..EExtended strand (participates in β ladder)trans-133.6158.3-173.6-56-171.489.200110.8A98 K119 F121 A138 Q139 M140A98-M100 HydrophobicContact CB-CG 4.42Å; A98-M100 PolarHBondContact O-N 3.49Å; M100-K119 HydrophobicContact CE-CD 4.23Å; M100-K119 HydrophobicContact SD-CD 3.96Å; M100-K119 PolarHBondContact SD-NZ 3Å; M100-F121 HydrophobicContact CE-CE2 4.4Å; M100-F121 HydrophobicContact SD-CE2 3.73Å; M100-F121 HydrophobicContact SD-CZ 4.22Å; M100-A138 PolarHBondContact N-O 3.47Å; M100-Q139 VanDerWaalsContact O-CA 3.32Å; M100-Q139 WeakPolarHBondContact O-CA 3.39Å; M100-M140 PolarHBondContact O-N 3.41Å
101H96.3Very high89.6Confident45 Ų4549.1 Ų49.121%0.20827%0.274CS..EExtended strand (participates in β ladder)trans-66.5141.6172.7-179.889.8000111.5M140 L145 E146H101-M140 WeakPolarHBondContact CA-O 3.47Å; H101-L145 HydrophobicContact CB-CB 3.76Å; H101-L145 WeakPolarHBondContact CB-O 3.32Å; H101-E146 VanDerWaalsContact CE1-CG 3.49Å; H101-E146 WeakPolarHBondContact CE1-CG 3.4Å; H101-E146 IonicContact CE1-OE1 3.44Å; H101-E146 WeakPolarHBondContact ND1-CG 3.48Å
102G94.8Very high91.2Very high9 Ų946.8 Ų46.89%0.09326%0.263CS..  trans-152.3161.6166.500000110.3Q104 M140 P141G102-Q104 PolarHBondContact O-N 2.91Å; G102-M140 PolarHBondContact N-O 2.7Å; G102-M140 CarbonylContact O-C 3.25Å; G102-P141 WeakPolarHBondContact O-CA 3.32Å
103E94.4Very high92.8Very high164 Ų16445.3 Ų45.377%0.76625%0.254SS*.SBendtrans-68.2-21.5-179.5-60.5-63.8154.800112.9
104Q94.3Very high94.3Very high157 Ų15745 Ų4573%0.73425%0.252SS*.SBendtrans-142.8154.1-176.7-64.1-178.61.700110.3G102 G106G102-Q104 PolarHBondContact O-N 2.91Å; Q104-G106 PolarHBondContact O-N 3.39Å
105D95.9Very high95Very high102 Ų10245.9 Ų45.955%0.54526%0.26SS..  trans-63.1126.6172.6-73.15.8000110.4P83 Q139 M140 P141P83-D105 HydrophobicContact CG-CB 4.06Å; D105-Q139 CarbonylContact C-O 3.22Å; D105-Q139 VanDerWaalsContact CA-O 3.26Å; D105-Q139 WeakPolarHBondContact CA-O 3.37Å; D105-M140 WeakPolarHBondContact OD1-CB 3.46Å; D105-P141 VanDerWaalsContact OD1-CD 3.29Å; D105-P141 WeakPolarHBondContact OD1-CD 3.37Å
106G95.8Very high95Very high27 Ų2747.3 Ų47.328%0.27827%0.266SS..EExtended strand (participates in β ladder)trans-166159.5-178.300000113Q104 Q139Q104-G106 PolarHBondContact O-N 3.39Å; G106-Q139 PolarHBondContact N-O 3.03Å; G106-Q139 PolarHBondContact O-N 3.49Å
107V96.2Very high94.6Very high64 Ų6451.3 Ų51.339%0.38829%0.292SS..EExtended strand (participates in β ladder)trans-125.1126.1173.81780000108.7P83 M136 C137P83-V107 HydrophobicContact CB-CG2 3.54Å; V107-M136 HydrophobicContact CG1-CB 4.12Å; V107-M136 HydrophobicContact CG1-CE 3.4Å; V107-M136 VanDerWaalsContact CG1-CE 3.4Å; V107-M136 HydrophobicContact CG1-SD 3.81Å; V107-C137 CarbonylContact C-O 3.59Å; V107-C137 WeakPolarHBondContact CA-O 3.47Å
108I95.6Very high94.2Very high45 Ų4559.6 Ų59.623%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-106.1117.4175.1-52.6178.7000108.2A112 L113 M136 C137I108-A112 HydrophobicContact CG2-CB 3.93Å; I108-L113 HydrophobicContact CG2-CB 4.22Å; I108-L113 HydrophobicContact CG2-CD1 4.37Å; I108-M136 CarbonylContact O-C 3.6Å; I108-M136 WeakPolarHBondContact O-CA 3.44Å; I108-C137 HydrophobicContact CB-CB 4.29Å; I108-C137 PolarHBondContact N-O 3.42Å; I108-C137 PolarHBondContact O-N 3.03Å
109P96Very high93.8Very high78 Ų7861 Ų6151%0.50633%0.334SS..EExtended strand (participates in β ladder)trans-62.2149175.3-22.533.5000112.5N111 A112 L113P109-N111 VanDerWaalsContact C-N 3.3Å; P109-N111 PolarHBondContact O-N 3.05Å; P109-A112 PolarHBondContact O-N 2.9Å; P109-L113 PolarHBondContact O-N 3.11Å
110G94.8Very high93.4Very high1 Ų161.4 Ų61.41%0.0134%0.336CS..Hα-helixtrans-55-40.7-175.700000113.9A112 L113 V114 F135G110-A112 VanDerWaalsContact C-N 3.26Å; G110-A112 PolarHBondContact O-N 3.42Å; G110-L113 PolarHBondContact O-N 2.71Å; G110-V114 WeakPolarHBondContact O-CG1 3.31Å; G110-V114 PolarHBondContact O-N 3.18Å; G110-F135 WeakPolarHBondContact CA-O 3.31Å; G110-F135 PolarHBondContact N-O 3.4Å
111N94Very high93.3Very high68 Ų6860.5 Ų60.536%0.36433%0.332SS..Hα-helixtrans-58.8-35.2176.5-66.6-40.1000113.2P109 L132 N133P109-N111 VanDerWaalsContact C-N 3.3Å; P109-N111 PolarHBondContact O-N 3.05Å; N111-L132 WeakPolarHBondContact OD1-CB 3.49Å; N111-L132 VanDerWaalsContact OD1-CD1 3.29Å; N111-L132 WeakPolarHBondContact OD1-CD1 3.3Å; N111-N133 PolarHBondContact ND2-OD1 3.24Å; N111-N133 VanDerWaalsContact ND2-OD1 3.14Å
112A94.7Very high93.1Very high48 Ų4863.4 Ų63.440%0.39734%0.341SS..Hα-helixtrans-82.2-30.5175.400000111.8I108 P109 G110 V115I108-A112 HydrophobicContact CG2-CB 3.93Å; P109-A112 PolarHBondContact O-N 2.9Å; G110-A112 VanDerWaalsContact C-N 3.26Å; G110-A112 PolarHBondContact O-N 3.42Å; A112-V115 WeakPolarHBondContact O-CG2 3.12Å; A112-V115 PolarHBondContact O-N 3.43Å
113L93.5Very high92.9Very high1 Ų166.1 Ų66.11%0.00535%0.351CS..Hα-helixtrans-69.9-37.7-179-169.465.6000112.7I108 P109 G110 V115 D116 K119 F121 F135 C137I108-L113 HydrophobicContact CG2-CB 4.22Å; I108-L113 HydrophobicContact CG2-CD1 4.37Å; P109-L113 PolarHBondContact O-N 3.11Å; G110-L113 PolarHBondContact O-N 2.71Å; L113-V115 PolarHBondContact O-N 3.34Å; L113-D116 PolarHBondContact O-N 3.13Å; L113-K119 HydrophobicContact CD1-CB 4.3Å; L113-K119 HydrophobicContact CD1-CG 4Å; L113-F121 HydrophobicContact CD1-CD2 4.05Å; L113-F121 HydrophobicContact CD2-CB 4.37Å; L113-F121 HydrophobicContact CD2-CD2 3.44Å; L113-F121 VanDerWaalsContact CD2-CD2 3.44Å; L113-F121 HydrophobicContact CD2-CE2 3.96Å; L113-F121 HydrophobicContact CD2-CG 4.09Å; L113-F121 HydrophobicContact CG-CB 4.28Å; L113-F121 HydrophobicContact CG-CD2 3.66Å; L113-F121 HydrophobicContact CG-CE2 4.47Å; L113-F121 HydrophobicContact CG-CG 4.36Å; L113-F135 HydrophobicContact CD2-CD1 4.31Å; L113-F135 HydrophobicContact CD2-CE1 3.5Å; L113-F135 VanDerWaalsContact CD2-CE1 3.5Å; L113-F135 HydrophobicContact CD2-CE2 4.45Å; L113-F135 HydrophobicContact CD2-CZ 3.58Å; L113-F135 HydrophobicContact CG-CE1 4.44Å; L113-C137 HydrophobicContact CD1-CB 3.75Å; L113-C137 HydrophobicContact CD2-CB 3.54Å; L113-C137 HydrophobicContact CG-CB 4.27Å
114V93.8Very high92.8Very high11 Ų1158.3 Ų58.37%0.06731%0.314CS..THydrogen-bonded Turntrans-74.8-4.3-179.1-59.50000114.3G110 F121 R122 L124 N125 L132G110-V114 WeakPolarHBondContact O-CG1 3.31Å; G110-V114 PolarHBondContact O-N 3.18Å; V114-F121 WeakPolarHBondContact CG1-O 3.32Å; V114-R122 WeakPolarHBondContact O-CA 3.28Å; V114-R122 WeakPolarHBondContact O-CB 3.22Å; V114-R122 VanDerWaalsContact O-CG 3.29Å; V114-R122 WeakPolarHBondContact O-CG 3.28Å; V114-L124 HydrophobicContact CG1-CB 4.09Å; V114-N125 HydrophobicContact CB-CB 4.47Å; V114-N125 HydrophobicContact CG2-CB 4.34Å; V114-L132 HydrophobicContact CG1-CD2 3.52Å; V114-L132 HydrophobicContact CG2-CD1 4.14Å; V114-L132 HydrophobicContact CG2-CD2 4.27Å
115V92.2Very high92.6Very high102 Ų10255.5 Ų55.562%0.61830%0.304SS*.THydrogen-bonded Turntrans-97.9-11.1172.6-60.50000113A112 L113 P117A112-V115 WeakPolarHBondContact O-CG2 3.12Å; A112-V115 PolarHBondContact O-N 3.43Å; L113-V115 PolarHBondContact O-N 3.34Å; V115-P117 WeakPolarHBondContact O-CD 3.48Å
116D89.4Confident92.4Very high48 Ų4855 Ų5526%0.25731%0.314SS..  trans-78115179.9-173.1-10.4000111.2L113 K118 K119L113-D116 PolarHBondContact O-N 3.13Å; D116-K118 PolarHBondContact O-N 2.82Å; D116-K118 WeakPolarHBondContact OD1-CB 3.45Å; D116-K118 PolarHBondContact OD1-N 3.26Å; D116-K119 HydrophobicContact CB-CB 4.28Å; D116-K119 HydrophobicContact CB-CG 4.04Å; D116-K119 PolarHBondContact O-N 3.41Å; D116-K119 WeakPolarHBondContact OD2-CG 3.27Å
117P87.2Confident92.2Very high85 Ų8556 Ų5655%0.55231%0.311SS*.THydrogen-bonded Turntrans-69.1-14.6178.230.9-36.4000114.2V115 K119V115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-K119 VanDerWaalsContact C-N 3.33Å
118K87.3Confident92Very high177 Ų17754.2 Ų54.277%0.7731%0.306SS*.THydrogen-bonded Turntrans-86.2-7.7178.3-60.8-178.2178.1-179.60112.7D116D116-K118 PolarHBondContact O-N 2.82Å; D116-K118 WeakPolarHBondContact OD1-CB 3.45Å; D116-K118 PolarHBondContact OD1-N 3.26Å
119K89.4Confident91.8Very high30 Ų3057.3 Ų57.313%0.1332%0.322CS..SBendtrans-112.3139.4-177.2-61.7-69.9-172.2171.90110M100 L113 D116 P117 F121 Q139M100-K119 HydrophobicContact CE-CD 4.23Å; M100-K119 HydrophobicContact SD-CD 3.96Å; M100-K119 PolarHBondContact SD-NZ 3Å; L113-K119 HydrophobicContact CD1-CB 4.3Å; L113-K119 HydrophobicContact CD1-CG 4Å; D116-K119 HydrophobicContact CB-CB 4.28Å; D116-K119 HydrophobicContact CB-CG 4.04Å; D116-K119 PolarHBondContact O-N 3.41Å; D116-K119 WeakPolarHBondContact OD2-CG 3.27Å; P117-K119 VanDerWaalsContact C-N 3.33Å; K119-F121 HydrophobicContact CB-CD2 3.9Å; K119-F121 HydrophobicContact CB-CE2 4.48Å; K119-F121 PolarHBondContact O-N 2.94Å; K119-Q139 VanDerWaalsContact NZ-NE2 3.18Å
120P90.3Very high91.6Very high8 Ų855.7 Ų55.75%0.05232%0.316CS..THydrogen-bonded Turntrans-7828.3-174.634.7-37.8000113A52 N56 M59 W176A52-P120 HydrophobicContact CB-CB 4.28Å; N56-P120 HydrophobicContact CB-CG 4.25Å; M59-P120 HydrophobicContact SD-CG 4.44Å; P120-W176 VanDerWaalsContact O-CH2 3.25Å; P120-W176 WeakPolarHBondContact O-CH2 3.47Å
121F93.7Very high91.5Very high1 Ų155.6 Ų55.60%0.00432%0.315CS..THydrogen-bonded Turntrans-111.8-3.9-168.7-59.4-50.7000114.2M59 A98 M100 L113 V114 K119 K123 L124 F135 I151 W176 F177M59-F121 HydrophobicContact SD-CE1 4.44Å; M59-F121 HydrophobicContact SD-CZ 4.48Å; A98-F121 HydrophobicContact CB-CE2 4.04Å; A98-F121 HydrophobicContact CB-CZ 3.8Å; M100-F121 HydrophobicContact CE-CE2 4.4Å; M100-F121 HydrophobicContact SD-CE2 3.73Å; M100-F121 HydrophobicContact SD-CZ 4.22Å; L113-F121 HydrophobicContact CD1-CD2 4.05Å; L113-F121 HydrophobicContact CD2-CB 4.37Å; L113-F121 HydrophobicContact CD2-CD2 3.44Å; L113-F121 VanDerWaalsContact CD2-CD2 3.44Å; L113-F121 HydrophobicContact CD2-CE2 3.96Å; L113-F121 HydrophobicContact CD2-CG 4.09Å; L113-F121 HydrophobicContact CG-CB 4.28Å; L113-F121 HydrophobicContact CG-CD2 3.66Å; L113-F121 HydrophobicContact CG-CE2 4.47Å; L113-F121 HydrophobicContact CG-CG 4.36Å; V114-F121 WeakPolarHBondContact CG1-O 3.32Å; K119-F121 HydrophobicContact CB-CD2 3.9Å; K119-F121 HydrophobicContact CB-CE2 4.48Å; K119-F121 PolarHBondContact O-N 2.94Å; F121-K123 PolarHBondContact O-N 3.25Å; F121-K123 VanDerWaalsContact O-N 3.12Å; F121-L124 HydrophobicContact CB-CD1 4.06Å; F121-L124 HydrophobicContact CD1-CD1 3.93Å; F121-L124 HydrophobicContact CG-CD1 4.35Å; F121-L124 VanDerWaalsContact O-CB 3.24Å; F121-L124 WeakPolarHBondContact O-CB 3.37Å; F121-L124 PolarHBondContact O-N 3.01Å; F121-F135 HydrophobicContact CB-CE1 4.07Å; F121-F135 HydrophobicContact CB-CZ 4.29Å; F121-F135 HydrophobicContact CD1-CE1 4.44Å; F121-F135 AromaticContact CD1-CZ 3.85Å; F121-F135 HydrophobicContact CD1-CZ 3.85Å; F121-F135 HydrophobicContact CD2-CZ 4.21Å; F121-F135 HydrophobicContact CE1-CZ 4.23Å; F121-F135 HydrophobicContact CG-CE1 4.14Å; F121-F135 AromaticContact CG-CZ 3.85Å; F121-F135 HydrophobicContact CG-CZ 3.85Å; F121-I151 HydrophobicContact CE1-CD1 4.48Å; F121-I151 HydrophobicContact CZ-CD1 4.32Å; F121-W176 HydrophobicContact CD1-CH2 4.16Å; F121-W176 HydrophobicContact CD1-CZ3 4.41Å; F121-F177 HydrophobicContact CD1-CE1 4.48Å; F121-F177 HydrophobicContact CE1-CE1 4.05Å
122R91.8Very high91.5Very high106 Ų10652.5 Ų52.540%0.430%0.298SS..G310 helixtrans-55.5-37.2-173.9-61.4-17162.9-1726.5113.9E50 V114 L124 N125E50-R122 WeakPolarHBondContact OE2-CD 3.21Å; V114-R122 WeakPolarHBondContact O-CA 3.28Å; V114-R122 WeakPolarHBondContact O-CB 3.22Å; V114-R122 VanDerWaalsContact O-CG 3.29Å; V114-R122 WeakPolarHBondContact O-CG 3.28Å; R122-L124 PolarHBondContact O-N 3.14Å; R122-N125 WeakPolarHBondContact O-CB 3.29Å; R122-N125 PolarHBondContact O-N 3.31Å
123K90.8Very high91.4Very high66 Ų6655.5 Ų55.529%0.28731%0.308SS..G310 helixtrans-69-15.8-179.8-58.9-56.7-167.7-152.60113.7P47 A48 E50 F121 N125 A126 W176P47-K123 HydrophobicContact CB-CB 4.27Å; P47-K123 HydrophobicContact CB-CD 3.84Å; P47-K123 HydrophobicContact CB-CG 3.81Å; P47-K123 HydrophobicContact CG-CB 4.19Å; P47-K123 HydrophobicContact CG-CG 4.28Å; A48-K123 WeakPolarHBondContact O-CE 3.34Å; E50-K123 WeakPolarHBondContact OE1-CE 3.36Å; E50-K123 IonicContact OE1-NZ 2.69Å; E50-K123 PolarHBondContact OE1-NZ 3.3Å; F121-K123 PolarHBondContact O-N 3.25Å; F121-K123 VanDerWaalsContact O-N 3.12Å; K123-N125 PolarHBondContact O-N 2.92Å; K123-A126 WeakPolarHBondContact O-CB 3.43Å; K123-A126 PolarHBondContact O-N 3.5Å; K123-W176 HydrophobicContact CB-CZ2 4.16Å
124L92.1Very high91.3Very high0 Ų058.9 Ų58.90%032%0.32CS..G310 helixtrans-65.5-15.2174-69.6174.3000113.1V114 F121 R122 A126 F127 F131 F135 W176 F177V114-L124 HydrophobicContact CG1-CB 4.09Å; F121-L124 HydrophobicContact CB-CD1 4.06Å; F121-L124 HydrophobicContact CD1-CD1 3.93Å; F121-L124 HydrophobicContact CG-CD1 4.35Å; F121-L124 VanDerWaalsContact O-CB 3.24Å; F121-L124 WeakPolarHBondContact O-CB 3.37Å; F121-L124 PolarHBondContact O-N 3.01Å; R122-L124 PolarHBondContact O-N 3.14Å; L124-A126 PolarHBondContact O-N 3.03Å; L124-A126 VanDerWaalsContact O-N 3.1Å; L124-F127 HydrophobicContact CD2-CD2 3.73Å; L124-F127 HydrophobicContact CD2-CE2 3.7Å; L124-F127 PolarHBondContact O-N 2.68Å; L124-F131 HydrophobicContact CB-CE1 3.92Å; L124-F131 HydrophobicContact CD1-CE1 4.07Å; L124-F131 HydrophobicContact CD1-CZ 4.36Å; L124-F131 HydrophobicContact CD2-CE1 3.99Å; L124-F131 HydrophobicContact CD2-CZ 4.27Å; L124-F131 HydrophobicContact CG-CE1 4.22Å; L124-F135 HydrophobicContact CD1-CD1 3.99Å; L124-F135 HydrophobicContact CD1-CE1 3.34Å; L124-F135 HydrophobicContact CD1-CE2 4.33Å; L124-F135 HydrophobicContact CD1-CZ 3.55Å; L124-W176 HydrophobicContact CD1-CE3 4.44Å; L124-W176 HydrophobicContact CD1-CH2 4.02Å; L124-W176 HydrophobicContact CD1-CZ3 3.86Å; L124-W176 HydrophobicContact CD2-CD2 3.56Å; L124-W176 HydrophobicContact CD2-CE3 3.39Å; L124-W176 HydrophobicContact CD2-CG 4.24Å; L124-W176 HydrophobicContact CD2-CH2 4.01Å; L124-W176 HydrophobicContact CD2-CZ2 4.15Å; L124-W176 HydrophobicContact CD2-CZ3 3.64Å; L124-W176 HydrophobicContact CG-CD2 4.29Å; L124-W176 HydrophobicContact CG-CE3 4.05Å; L124-W176 HydrophobicContact CG-CH2 3.72Å; L124-W176 HydrophobicContact CG-CZ2 3.95Å; L124-W176 HydrophobicContact CG-CZ3 3.76Å; L124-F177 HydrophobicContact CD1-CZ 4.03Å
125N90.8Very high91.4Very high97 Ų9758.5 Ų58.552%0.51932%0.318SS..G310 helixtrans-56.1-25.1172.2-170.750000112.9V114 R122 K123 F127 G128V114-N125 HydrophobicContact CB-CB 4.47Å; V114-N125 HydrophobicContact CG2-CB 4.34Å; R122-N125 WeakPolarHBondContact O-CB 3.29Å; R122-N125 PolarHBondContact O-N 3.31Å; K123-N125 PolarHBondContact O-N 2.92Å; N125-F127 PolarHBondContact O-N 3.41Å; N125-G128 PolarHBondContact O-N 2.97Å; N125-G128 VanDerWaalsContact O-N 3.1Å
126A90.6Very high91.6Very high92 Ų9256 Ų5676%0.7630%0.3SS*.G310 helixtrans-63.5-24.6176.700000113.8K123 L124 G128K123-A126 WeakPolarHBondContact O-CB 3.43Å; K123-A126 PolarHBondContact O-N 3.5Å; L124-A126 PolarHBondContact O-N 3.03Å; L124-A126 VanDerWaalsContact O-N 3.1Å; A126-G128 PolarHBondContact O-N 3.33Å
127F91.9Very high92Very high48 Ų4853.7 Ų53.721%0.21129%0.288CS..G310 helixtrans-80.3-4.6176.5-64-71.9000113.3L124 N125 F131 A172 V173 W176L124-F127 HydrophobicContact CD2-CD2 3.73Å; L124-F127 HydrophobicContact CD2-CE2 3.7Å; L124-F127 PolarHBondContact O-N 2.68Å; N125-F127 PolarHBondContact O-N 3.41Å; F127-F131 HydrophobicContact CB-CB 3.69Å; F127-F131 HydrophobicContact CB-CD1 3.8Å; F127-F131 HydrophobicContact CB-CG 3.81Å; F127-F131 HydrophobicContact CD2-CD1 4.49Å; F127-A172 HydrophobicContact CE1-CB 3.86Å; F127-A172 HydrophobicContact CZ-CB 4.44Å; F127-V173 HydrophobicContact CB-CG2 4.41Å; F127-V173 HydrophobicContact CD1-CG2 3.6Å; F127-V173 HydrophobicContact CD2-CG2 3.88Å; F127-V173 HydrophobicContact CE1-CG2 3.7Å; F127-V173 HydrophobicContact CE2-CG2 3.97Å; F127-V173 HydrophobicContact CG-CG2 3.7Å; F127-V173 HydrophobicContact CZ-CB 4.45Å; F127-V173 HydrophobicContact CZ-CG2 3.88Å; F127-W176 HydrophobicContact CE2-CB 4.09Å; F127-W176 HydrophobicContact CE2-CG 4.07Å; F127-W176 HydrophobicContact CZ-CB 4.04Å; F127-W176 HydrophobicContact CZ-CG 4.43Å
128G91.6Very high92.5Very high27 Ų2749.6 Ų49.628%0.27826%0.261SS..Hα-helixtrans74.4176.4172.200000115.2N125 A126 A130 F131 L132N125-G128 PolarHBondContact O-N 2.97Å; N125-G128 VanDerWaalsContact O-N 3.1Å; A126-G128 PolarHBondContact O-N 3.33Å; G128-A130 VanDerWaalsContact C-N 3.26Å; G128-A130 PolarHBondContact O-N 3.47Å; G128-F131 PolarHBondContact O-N 3.39Å; G128-F131 VanDerWaalsContact O-N 3.15Å; G128-L132 WeakPolarHBondContact O-CG 3.2Å; G128-L132 PolarHBondContact O-N 3.3Å; G128-L132 VanDerWaalsContact O-N 3.1Å
129N91.8Very high92.9Very high109 Ų10943 Ų4358%0.58323%0.233SC*.Hα-helixtrans-61.4-30.2-171.1-71.7-30.5000114.2F131 L132 N133N129-F131 VanDerWaalsContact C-N 3.31Å; N129-F131 PolarHBondContact O-N 3.04Å; N129-L132 PolarHBondContact O-N 3.34Å; N129-N133 WeakPolarHBondContact O-CB 3.46Å; N129-N133 PolarHBondContact O-N 3.14Å; N129-N133 PolarHBondContact O-ND2 2.96Å
130A91.3Very high93.2Very high44 Ų4441.6 Ų41.636%0.36423%0.227SC..Hα-helixtrans-61.4-41.2178.100000111.8G128 G167G128-A130 VanDerWaalsContact C-N 3.26Å; G128-A130 PolarHBondContact O-N 3.47Å; A130-G167 WeakPolarHBondContact CB-O 3.3Å
131F94Very high93.5Very high0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-72.7-48.2173.1172-103.1000111.8F96 L124 F127 G128 N129 N133 R134 F135 Y168 V173F96-F131 HydrophobicContact CD2-CD2 4.42Å; F96-F131 AromaticContact CD2-CE2 3.57Å; F96-F131 HydrophobicContact CD2-CE2 3.57Å; F96-F131 HydrophobicContact CD2-CZ 4.39Å; F96-F131 AromaticContact CE2-CE2 3.82Å; F96-F131 HydrophobicContact CE2-CE2 3.82Å; F96-F131 HydrophobicContact CG-CE2 4.14Å; L124-F131 HydrophobicContact CB-CE1 3.92Å; L124-F131 HydrophobicContact CD1-CE1 4.07Å; L124-F131 HydrophobicContact CD1-CZ 4.36Å; L124-F131 HydrophobicContact CD2-CE1 3.99Å; L124-F131 HydrophobicContact CD2-CZ 4.27Å; L124-F131 HydrophobicContact CG-CE1 4.22Å; F127-F131 HydrophobicContact CB-CB 3.69Å; F127-F131 HydrophobicContact CB-CD1 3.8Å; F127-F131 HydrophobicContact CB-CG 3.81Å; F127-F131 HydrophobicContact CD2-CD1 4.49Å; G128-F131 PolarHBondContact O-N 3.39Å; G128-F131 VanDerWaalsContact O-N 3.15Å; N129-F131 VanDerWaalsContact C-N 3.31Å; N129-F131 PolarHBondContact O-N 3.04Å; F131-N133 PolarHBondContact O-N 3.23Å; F131-R134 CarbonylContact O-C 3.57Å; F131-R134 VanDerWaalsContact O-C 3.25Å; F131-R134 WeakPolarHBondContact O-CA 3.32Å; F131-R134 PolarHBondContact O-N 3.06Å; F131-F135 HydrophobicContact CD1-CB 4.49Å; F131-F135 HydrophobicContact CE1-CB 3.88Å; F131-F135 HydrophobicContact CE1-CD1 4.04Å; F131-F135 AromaticContact CE1-CG 3.98Å; F131-F135 HydrophobicContact CE1-CG 3.98Å; F131-F135 HydrophobicContact CE2-CB 4.41Å; F131-F135 HydrophobicContact CZ-CB 3.85Å; F131-F135 HydrophobicContact CZ-CD1 4.38Å; F131-F135 HydrophobicContact CZ-CD2 4.26Å; F131-F135 AromaticContact CZ-CG 3.92Å; F131-F135 HydrophobicContact CZ-CG 3.92Å; F131-F135 PolarHBondContact O-N 3.05Å; F131-Y168 HydrophobicContact CB-CD1 4.14Å; F131-Y168 HydrophobicContact CB-CD2 4.33Å; F131-Y168 HydrophobicContact CB-CG 3.87Å; F131-Y168 HydrophobicContact CD2-CD1 4.4Å; F131-Y168 AromaticContact CD2-CD2 3.77Å; F131-Y168 HydrophobicContact CD2-CD2 3.77Å; F131-Y168 HydrophobicContact CD2-CE1 4.44Å; F131-Y168 AromaticContact CD2-CE2 3.8Å; F131-Y168 HydrophobicContact CD2-CE2 3.8Å; F131-Y168 HydrophobicContact CD2-CG 4.1Å; F131-Y168 HydrophobicContact CE2-CE2 4.4Å; F131-Y168 HydrophobicContact CG-CD2 4.48Å; F131-Y168 HydrophobicContact CG-CG 4.47Å; F131-V173 HydrophobicContact CD2-CG1 4.34Å; F131-V173 HydrophobicContact CD2-CG2 3.85Å; F131-V173 HydrophobicContact CE2-CB 4.35Å; F131-V173 HydrophobicContact CE2-CG1 3.55Å; F131-V173 HydrophobicContact CE2-CG2 3.88Å; F131-V173 HydrophobicContact CG-CG2 4.38Å; F131-V173 HydrophobicContact CZ-CG1 3.85Å; F131-V173 HydrophobicContact CZ-CG2 4.43Å
132L94.1Very high93.6Very high2 Ų244.3 Ų44.31%0.0125%0.245CC..Hα-helixtrans-62.6-28.5-174.3-63.3178.2000113.7N111 V114 G128 N129 R134 F135N111-L132 WeakPolarHBondContact OD1-CB 3.49Å; N111-L132 VanDerWaalsContact OD1-CD1 3.29Å; N111-L132 WeakPolarHBondContact OD1-CD1 3.3Å; V114-L132 HydrophobicContact CG1-CD2 3.52Å; V114-L132 HydrophobicContact CG2-CD1 4.14Å; V114-L132 HydrophobicContact CG2-CD2 4.27Å; G128-L132 WeakPolarHBondContact O-CG 3.2Å; G128-L132 PolarHBondContact O-N 3.3Å; G128-L132 VanDerWaalsContact O-N 3.1Å; N129-L132 PolarHBondContact O-N 3.34Å; L132-R134 PolarHBondContact O-N 3.46Å; L132-F135 PolarHBondContact O-N 3.12Å
133N92.1Very high93.5Very high112 Ų11242.1 Ų42.160%0.59924%0.244SC*.THydrogen-bonded Turntrans-71.3-16.9172.8-71.1-18.5000113.3N111 N129 F131N111-N133 PolarHBondContact ND2-OD1 3.24Å; N111-N133 VanDerWaalsContact ND2-OD1 3.14Å; N129-N133 WeakPolarHBondContact O-CB 3.46Å; N129-N133 PolarHBondContact O-N 3.14Å; N129-N133 PolarHBondContact O-ND2 2.96Å; F131-N133 PolarHBondContact O-N 3.23Å
134R92.6Very high93.7Very high71 Ų7139 Ų3927%0.26823%0.23SC..THydrogen-bonded Turntrans-113.626.2176.6-62.4-178.6-173.8-16514.1111.5S95 F96 F131 L132 S165S95-R134 CarbonylContact C-O 3.55Å; S95-R134 WeakPolarHBondContact CA-O 3.38Å; S95-R134 WeakPolarHBondContact CB-O 3.33Å; F96-R134 PolarHBondContact N-O 3.22Å; F131-R134 CarbonylContact O-C 3.57Å; F131-R134 VanDerWaalsContact O-C 3.25Å; F131-R134 WeakPolarHBondContact O-CA 3.32Å; F131-R134 PolarHBondContact O-N 3.06Å; L132-R134 PolarHBondContact O-N 3.46Å; R134-S165 PolarHBondContact NH2-O 2.87Å; R134-S165 VanDerWaalsContact NH2-O 3.07Å
135F95.9Very high93.8Very high3 Ų339 Ų391%0.01323%0.23CC..EExtended strand (participates in β ladder)trans-130.9136.2174.1178.6-131.8000108.6F96 A98 G110 L113 F121 L124 F131 L132 F177F96-F135 HydrophobicContact CB-CD2 3.64Å; F96-F135 HydrophobicContact CB-CE2 4.36Å; F96-F135 WeakPolarHBondContact O-CA 3.25Å; A98-F135 HydrophobicContact CB-CE2 4.17Å; A98-F135 HydrophobicContact CB-CZ 4.45Å; G110-F135 WeakPolarHBondContact CA-O 3.31Å; G110-F135 PolarHBondContact N-O 3.4Å; L113-F135 HydrophobicContact CD2-CD1 4.31Å; L113-F135 HydrophobicContact CD2-CE1 3.5Å; L113-F135 VanDerWaalsContact CD2-CE1 3.5Å; L113-F135 HydrophobicContact CD2-CE2 4.45Å; L113-F135 HydrophobicContact CD2-CZ 3.58Å; L113-F135 HydrophobicContact CG-CE1 4.44Å; F121-F135 HydrophobicContact CB-CE1 4.07Å; F121-F135 HydrophobicContact CB-CZ 4.29Å; F121-F135 HydrophobicContact CD1-CE1 4.44Å; F121-F135 AromaticContact CD1-CZ 3.85Å; F121-F135 HydrophobicContact CD1-CZ 3.85Å; F121-F135 HydrophobicContact CD2-CZ 4.21Å; F121-F135 HydrophobicContact CE1-CZ 4.23Å; F121-F135 HydrophobicContact CG-CE1 4.14Å; F121-F135 AromaticContact CG-CZ 3.85Å; F121-F135 HydrophobicContact CG-CZ 3.85Å; L124-F135 HydrophobicContact CD1-CD1 3.99Å; L124-F135 HydrophobicContact CD1-CE1 3.34Å; L124-F135 HydrophobicContact CD1-CE2 4.33Å; L124-F135 HydrophobicContact CD1-CZ 3.55Å; F131-F135 HydrophobicContact CD1-CB 4.49Å; F131-F135 HydrophobicContact CE1-CB 3.88Å; F131-F135 HydrophobicContact CE1-CD1 4.04Å; F131-F135 AromaticContact CE1-CG 3.98Å; F131-F135 HydrophobicContact CE1-CG 3.98Å; F131-F135 HydrophobicContact CE2-CB 4.41Å; F131-F135 HydrophobicContact CZ-CB 3.85Å; F131-F135 HydrophobicContact CZ-CD1 4.38Å; F131-F135 HydrophobicContact CZ-CD2 4.26Å; F131-F135 AromaticContact CZ-CG 3.92Å; F131-F135 HydrophobicContact CZ-CG 3.92Å; F131-F135 PolarHBondContact O-N 3.05Å; L132-F135 PolarHBondContact O-N 3.12Å; F135-F177 HydrophobicContact CE2-CZ 4.08Å; F135-F177 HydrophobicContact CZ-CZ 4.4Å
136M95.8Very high93.9Very high49 Ų4939.6 Ų39.624%0.24123%0.23CC..EExtended strand (participates in β ladder)trans-149.6161.217753.7164.943.300111.3F96 I97 A98 V107 I108F96-M136 PolarHBondContact O-N 2.78Å; I97-M136 WeakPolarHBondContact CA-O 3.37Å; I97-M136 HydrophobicContact CB-CG 4.43Å; I97-M136 HydrophobicContact CD1-SD 4.39Å; I97-M136 HydrophobicContact CG1-CG 3.99Å; I97-M136 HydrophobicContact CG1-SD 4.18Å; I97-M136 HydrophobicContact CG2-CG 4.28Å; I97-M136 HydrophobicContact CG2-SD 4.48Å; A98-M136 PolarHBondContact N-O 2.93Å; V107-M136 HydrophobicContact CG1-CB 4.12Å; V107-M136 HydrophobicContact CG1-CE 3.4Å; V107-M136 VanDerWaalsContact CG1-CE 3.4Å; V107-M136 HydrophobicContact CG1-SD 3.81Å; I108-M136 CarbonylContact O-C 3.6Å; I108-M136 WeakPolarHBondContact O-CA 3.44Å
137C97Very high93.9Very high0 Ų036.4 Ų36.40%020%0.202CC..EExtended strand (participates in β ladder)trans-112.2121.3168.8177.30000109.4A98 V107 I108 L113A98-C137 HydrophobicContact CB-CB 4.31Å; A98-C137 CarbonylContact O-C 3.54Å; A98-C137 WeakPolarHBondContact O-CA 3.44Å; A98-C137 PolarHBondContact O-SG 3.19Å; V107-C137 CarbonylContact C-O 3.59Å; V107-C137 WeakPolarHBondContact CA-O 3.47Å; I108-C137 HydrophobicContact CB-CB 4.29Å; I108-C137 PolarHBondContact N-O 3.42Å; I108-C137 PolarHBondContact O-N 3.03Å; L113-C137 HydrophobicContact CD1-CB 3.75Å; L113-C137 HydrophobicContact CD2-CB 3.54Å; L113-C137 HydrophobicContact CG-CB 4.27Å
138A97.3Very high94.1Very high0 Ų034.2 Ų34.20%019%0.193CC..EExtended strand (participates in β ladder)trans-89.4124.2168.100000108F82 P83 I97 A98 V99 M100F82-A138 HydrophobicContact CD2-CB 4.17Å; P83-A138 HydrophobicContact CB-CB 4.41Å; P83-A138 WeakPolarHBondContact O-CB 3.26Å; I97-A138 HydrophobicContact CG2-CB 3.8Å; A98-A138 PolarHBondContact O-N 2.87Å; V99-A138 WeakPolarHBondContact CA-O 3.34Å; V99-A138 HydrophobicContact CG2-CB 4.49Å; M100-A138 PolarHBondContact N-O 3.47Å
139Q96.3Very high94.4Very high39 Ų3933 Ų3318%0.18218%0.18CC..EExtended strand (participates in β ladder)trans-115.7137.7177.5-68.3-173.7-10.400109.7M100 D105 G106 K119M100-Q139 VanDerWaalsContact O-CA 3.32Å; M100-Q139 WeakPolarHBondContact O-CA 3.39Å; D105-Q139 CarbonylContact C-O 3.22Å; D105-Q139 VanDerWaalsContact CA-O 3.26Å; D105-Q139 WeakPolarHBondContact CA-O 3.37Å; G106-Q139 PolarHBondContact N-O 3.03Å; G106-Q139 PolarHBondContact O-N 3.49Å; K119-Q139 VanDerWaalsContact NZ-NE2 3.18Å
140M96.6Very high94.7Very high0 Ų027.9 Ų27.90%015%0.153CC..EExtended strand (participates in β ladder)trans-163.1154.717860.3-172.8-65.200111.2M78 Q80 D81 F82 M100 H101 G102 D105 N142 L145M78-M140 HydrophobicContact CE-CE 3.95Å; M78-M140 HydrophobicContact CE-CG 4.31Å; M78-M140 HydrophobicContact CE-SD 3.39Å; M78-M140 WeakPolarHBondContact CE-SD 3.16Å; Q80-M140 HydrophobicContact CB-CE 4.31Å; Q80-M140 HydrophobicContact CG-CE 3.74Å; D81-M140 VanDerWaalsContact O-CE 3.29Å; D81-M140 WeakPolarHBondContact O-CE 3.28Å; F82-M140 HydrophobicContact CB-SD 3.34Å; F82-M140 WeakPolarHBondContact CB-SD 3.39Å; M100-M140 PolarHBondContact O-N 3.41Å; H101-M140 WeakPolarHBondContact CA-O 3.47Å; G102-M140 PolarHBondContact N-O 2.7Å; G102-M140 CarbonylContact O-C 3.25Å; D105-M140 WeakPolarHBondContact OD1-CB 3.46Å; M140-N142 HydrophobicContact CE-CB 4.46Å; M140-N142 HydrophobicContact CG-CB 4.46Å; M140-N142 PolarHBondContact O-N 2.74Å; M140-L145 HydrophobicContact CG-CD1 3.67Å; M140-L145 HydrophobicContact SD-CD1 4.35Å
141P96.5Very high95Very high61 Ų6125.8 Ų25.840%0.39614%0.136SC..  trans-76112.3171.629.5-30.6000108.7G102 D105G102-P141 WeakPolarHBondContact O-CA 3.32Å; D105-P141 VanDerWaalsContact OD1-CD 3.29Å; D105-P141 WeakPolarHBondContact OD1-CD 3.37Å
142N94.8Very high95.1Very high5 Ų525.8 Ų25.83%0.02714%0.136CC..  trans-150.7133.4174-176.4-75.3000109.8M78 Q80 M140 V144 L145 E146M78-N142 HydrophobicContact CE-CB 4.2Å; M78-N142 PolarHBondContact O-ND2 2.96Å; Q80-N142 PolarHBondContact OE1-ND2 3.35Å; M140-N142 HydrophobicContact CE-CB 4.46Å; M140-N142 HydrophobicContact CG-CB 4.46Å; M140-N142 PolarHBondContact O-N 2.74Å; N142-V144 VanDerWaalsContact C-N 3.3Å; N142-V144 PolarHBondContact O-N 2.9Å; N142-V144 VanDerWaalsContact OD1-CB 3.22Å; N142-V144 WeakPolarHBondContact OD1-CB 3.43Å; N142-V144 PolarHBondContact OD1-N 3.03Å; N142-L145 HydrophobicContact CB-CB 4.38Å; N142-L145 HydrophobicContact CB-CD1 4Å; N142-L145 HydrophobicContact CB-CG 4.05Å; N142-L145 PolarHBondContact O-N 3.14Å; N142-L145 VanDerWaalsContact O-N 3.11Å; N142-E146 PolarHBondContact O-N 2.76Å
143P91Very high95.1Very high59 Ų5925.7 Ų25.738%0.38314%0.135SC..Hα-helixtrans-61.3-31.5-177.7-24.934.4000114.5L145 E146 K409P143-L145 VanDerWaalsContact C-N 3.31Å; P143-L145 PolarHBondContact O-N 2.85Å; P143-E146 WeakPolarHBondContact O-CB 3.31Å; P143-E146 PolarHBondContact O-N 3.34Å; P143-K409 CarbonylContact C-O 3.59Å; P143-K409 WeakPolarHBondContact CB-O 3.36Å
144V93Very high95.1Very high0 Ų020.6 Ų20.60%011%0.108CC..Hα-helixtrans-63.5-43.3175.91780000109.8N142 E146 S147 I148 V408 K409 G410 F413N142-V144 VanDerWaalsContact C-N 3.3Å; N142-V144 PolarHBondContact O-N 2.9Å; N142-V144 VanDerWaalsContact OD1-CB 3.22Å; N142-V144 WeakPolarHBondContact OD1-CB 3.43Å; N142-V144 PolarHBondContact OD1-N 3.03Å; V144-E146 PolarHBondContact O-N 2.89Å; V144-S147 PolarHBondContact O-N 3.16Å; V144-S147 VanDerWaalsContact O-N 3.14Å; V144-I148 HydrophobicContact CG1-CD1 3.92Å; V144-I148 HydrophobicContact CG1-CG1 3.94Å; V144-I148 WeakPolarHBondContact O-CG1 3.37Å; V144-I148 PolarHBondContact O-N 3.22Å; V144-I148 VanDerWaalsContact O-N 3.1Å; V144-V408 HydrophobicContact CB-CG1 4.35Å; V144-V408 HydrophobicContact CG1-CG1 3.87Å; V144-K409 PolarHBondContact N-O 3.1Å; V144-G410 WeakPolarHBondContact CG2-O 3.48Å; V144-F413 HydrophobicContact CB-CE2 4.5Å; V144-F413 HydrophobicContact CG1-CD2 4.3Å; V144-F413 HydrophobicContact CG1-CE2 3.7Å; V144-F413 HydrophobicContact CG2-CD2 3.79Å; V144-F413 HydrophobicContact CG2-CE2 3.97Å
145L95.7Very high94.9Very high0 Ų017.6 Ų17.60%010%0.099CC..Hα-helixtrans-73.4-16-178.5-57.1-179.9000113K57 M78 V99 H101 M140 N142 P143 S147 I148 I150K57-L145 PolarHBondContact NZ-O 3.21Å; M78-L145 HydrophobicContact CE-CD1 3.66Å; M78-L145 HydrophobicContact CE-CD2 4.44Å; M78-L145 HydrophobicContact CE-CG 4.07Å; M78-L145 HydrophobicContact SD-CD1 4.34Å; M78-L145 HydrophobicContact SD-CD2 4.08Å; M78-L145 HydrophobicContact SD-CG 4.33Å; V99-L145 HydrophobicContact CG1-CD1 3.81Å; V99-L145 HydrophobicContact CG1-CD2 4.06Å; H101-L145 HydrophobicContact CB-CB 3.76Å; H101-L145 WeakPolarHBondContact CB-O 3.32Å; M140-L145 HydrophobicContact CG-CD1 3.67Å; M140-L145 HydrophobicContact SD-CD1 4.35Å; N142-L145 HydrophobicContact CB-CB 4.38Å; N142-L145 HydrophobicContact CB-CD1 4Å; N142-L145 HydrophobicContact CB-CG 4.05Å; N142-L145 PolarHBondContact O-N 3.14Å; N142-L145 VanDerWaalsContact O-N 3.11Å; P143-L145 VanDerWaalsContact C-N 3.31Å; P143-L145 PolarHBondContact O-N 2.85Å; L145-S147 PolarHBondContact O-N 3.19Å; L145-I148 CarbonylContact C-O 3.51Å; L145-I148 VanDerWaalsContact CA-O 3.25Å; L145-I148 WeakPolarHBondContact CA-O 3.48Å; L145-I150 HydrophobicContact CD2-CD1 4.35Å; L145-I150 HydrophobicContact CD2-CG1 4.43Å
146E92.8Very high94.4Very high110 Ų11017.5 Ų17.551%0.51410%0.098SC..Hα-helixtrans-62.7-30.4169.8-70179.1-16700111.3K57 H101 N142 P143 V144K57-E146 WeakPolarHBondContact CD-O 3.46Å; K57-E146 WeakPolarHBondContact CE-O 3.49Å; K57-E146 VanDerWaalsContact NZ-C 3.26Å; K57-E146 VanDerWaalsContact NZ-CA 3.33Å; K57-E146 PolarHBondContact NZ-O 3.06Å; H101-E146 VanDerWaalsContact CE1-CG 3.49Å; H101-E146 WeakPolarHBondContact CE1-CG 3.4Å; H101-E146 IonicContact CE1-OE1 3.44Å; H101-E146 WeakPolarHBondContact ND1-CG 3.48Å; N142-E146 PolarHBondContact O-N 2.76Å; P143-E146 WeakPolarHBondContact O-CB 3.31Å; P143-E146 PolarHBondContact O-N 3.34Å; V144-E146 PolarHBondContact O-N 2.89Å
147S91.3Very high93.4Very high26 Ų2617 Ų1718%0.18210%0.097CC..Hα-helixtrans-104.3-30.9-175.8-60.50000113.8P58 V144 L145 T407P58-S147 WeakPolarHBondContact CD-O 3.43Å; V144-S147 PolarHBondContact O-N 3.16Å; V144-S147 VanDerWaalsContact O-N 3.14Å; L145-S147 PolarHBondContact O-N 3.19Å; S147-T407 PolarHBondContact OG-O 2.77Å
148I95.7Very high91.9Very high1 Ų121 Ų211%0.00512%0.124CC..  trans-135.3172.1-179.459.3168.3000112.1P58 V60 V144 L145 I150 I281 L284 P285 V408P58-I148 HydrophobicContact CB-CG2 4.26Å; P58-I148 CarbonylContact O-C 3.54Å; P58-I148 WeakPolarHBondContact O-CA 3.28Å; V60-I148 HydrophobicContact CG2-CD1 4.33Å; V144-I148 HydrophobicContact CG1-CD1 3.92Å; V144-I148 HydrophobicContact CG1-CG1 3.94Å; V144-I148 WeakPolarHBondContact O-CG1 3.37Å; V144-I148 PolarHBondContact O-N 3.22Å; V144-I148 VanDerWaalsContact O-N 3.1Å; L145-I148 CarbonylContact C-O 3.51Å; L145-I148 VanDerWaalsContact CA-O 3.25Å; L145-I148 WeakPolarHBondContact CA-O 3.48Å; I148-I150 HydrophobicContact CD1-CD1 4.43Å; I148-I150 HydrophobicContact CD1-CG1 4.28Å; I148-I281 HydrophobicContact CD1-CG2 3.79Å; I148-L284 HydrophobicContact CG2-CB 4.41Å; I148-P285 HydrophobicContact CG2-CG 3.98Å; I148-V408 HydrophobicContact CG2-CG2 3.91Å
149S96.9Very high90.1Very high3 Ų322.9 Ų22.92%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-128.8150.2166.5-64.50000109.6P58 M59 V60P58-S149 PolarHBondContact O-N 3.47Å; M59-S149 CarbonylContact C-O 3.5Å; M59-S149 VanDerWaalsContact CA-O 3.28Å; M59-S149 WeakPolarHBondContact CA-O 3.18Å; V60-S149 PolarHBondContact N-O 2.96Å
150I97.9Very high88.1Confident1 Ų128.6 Ų28.61%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-123.8133.7-172.2-55.3173.7000108.7V60 L62 I74 L77 M78 V99 L145 I148V60-I150 CarbonylContact O-C 3.59Å; V60-I150 WeakPolarHBondContact O-CA 3.33Å; L62-I150 HydrophobicContact CD1-CG2 3.22Å; I74-I150 HydrophobicContact CD1-CG2 3.77Å; I74-I150 HydrophobicContact CG1-CG2 3.84Å; I74-I150 HydrophobicContact CG2-CD1 4.2Å; I74-I150 HydrophobicContact CG2-CG2 4.36Å; L77-I150 HydrophobicContact CD1-CD1 4.42Å; M78-I150 HydrophobicContact CG-CD1 4.5Å; M78-I150 HydrophobicContact SD-CD1 4.39Å; V99-I150 HydrophobicContact CB-CB 4.38Å; V99-I150 PolarHBondContact N-O 2.7Å; V99-I150 PolarHBondContact O-N 3.08Å; L145-I150 HydrophobicContact CD2-CD1 4.35Å; L145-I150 HydrophobicContact CD2-CG1 4.43Å; I148-I150 HydrophobicContact CD1-CD1 4.43Å; I148-I150 HydrophobicContact CD1-CG1 4.28Å
151I97.8Very high86Confident0 Ų037.9 Ų37.90%021%0.211CC..EExtended strand (participates in β ladder)trans-108.8107.9176.5-50.7-58.2000108M59 V60 L61 L62 I97 A98 F121 F177M59-I151 HydrophobicContact SD-CD1 4.49Å; V60-I151 PolarHBondContact O-N 3.5Å; L61-I151 HydrophobicContact CD1-CB 3.74Å; L61-I151 HydrophobicContact CD1-CG2 3.59Å; L62-I151 PolarHBondContact N-O 2.7Å; I97-I151 WeakPolarHBondContact O-CA 3.41Å; A98-I151 HydrophobicContact CB-CD1 3.66Å; F121-I151 HydrophobicContact CE1-CD1 4.48Å; F121-I151 HydrophobicContact CZ-CD1 4.32Å; I151-F177 HydrophobicContact CD1-CE1 4.09Å; I151-F177 HydrophobicContact CG1-CD1 4.19Å; I151-F177 HydrophobicContact CG1-CE1 4.08Å; I151-F177 HydrophobicContact CG2-CD1 4.26Å; I151-F177 HydrophobicContact CG2-CE1 3.96Å; I151-F177 HydrophobicContact CG2-CZ 4.11Å
152D96.4Very high84Confident0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-81.3131.6168.1-159.36.5000109.2K70 T71 I74 F96 I97K70-D152 WeakPolarHBondContact CB-OD1 3.48Å; T71-D152 PolarHBondContact OG1-OD2 3.38Å; I74-D152 HydrophobicContact CD1-CB 3.44Å; I74-D152 VanDerWaalsContact CD1-CB 3.44Å; F96-D152 WeakPolarHBondContact CA-O 3.4Å; I97-D152 HydrophobicContact CB-CB 4.22Å; I97-D152 PolarHBondContact N-O 2.91Å; I97-D152 PolarHBondContact O-N 3.16Å
153T94.9Very high82.2Confident0 Ų043 Ų430%023%0.226CC..  trans-107.8152179.275.90000110.9L61 L62 K70 F96 L174L61-T153 HydrophobicContact CD1-CG2 3.49Å; L61-T153 VanDerWaalsContact CD1-CG2 3.49Å; L61-T153 HydrophobicContact CG-CG2 4.35Å; L62-T153 WeakPolarHBondContact O-CB 3.29Å; L62-T153 WeakPolarHBondContact O-CG2 3.2Å; L62-T153 PolarHBondContact O-OG1 3.02Å; K70-T153 WeakPolarHBondContact CE-O 3.19Å; F96-T153 HydrophobicContact CD1-CG2 3.94Å; F96-T153 HydrophobicContact CE1-CG2 3.71Å; T153-L174 HydrophobicContact CG2-CD2 3.73Å
154P90.7Very high80.5Confident5 Ų547.3 Ų47.33%0.03224%0.244CC..PPolyproline II helixtrans-51.2146.9166.7-23.331.3000111.7F96 I156 F170F96-P154 VanDerWaalsContact CD2-CD 3.48Å; F96-P154 HydrophobicContact CD2-CG 3.74Å; F96-P154 HydrophobicContact CE2-CG 3.82Å; F96-P154 HydrophobicContact CG-CG 4.37Å; F96-P154 HydrophobicContact CZ-CG 4.5Å; P154-I156 PolarHBondContact O-N 3.25Å; P154-F170 HydrophobicContact CB-CE2 4.17Å; P154-F170 HydrophobicContact CG-CE2 4.13Å
155G88.8Confident79.1Confident7 Ų751.2 Ų51.27%0.07227%0.271CS..PPolyproline II helixtrans-64.4129.2173.800000111.6L157G155-L157 PolarHBondContact O-N 3.05Å
156I86.1Confident78.3Confident1 Ų152 Ų521%0.00528%0.275CS..BIsolated β-bridgetrans-70.1126.8173.9-56.8173.8000107.9V63 G64 Q65 Y66 P154 F170 E198 F199 V202V63-I156 HydrophobicContact CG1-CD1 3.74Å; G64-I156 PolarHBondContact O-N 3.45Å; G64-I156 VanDerWaalsContact O-N 3.09Å; Q65-I156 CarbonylContact C-O 3.51Å; Q65-I156 VanDerWaalsContact CA-O 3.27Å; Q65-I156 WeakPolarHBondContact CA-O 3.39Å; Q65-I156 HydrophobicContact CG-CB 4.42Å; Y66-I156 PolarHBondContact N-O 3.27Å; P154-I156 PolarHBondContact O-N 3.25Å; I156-F170 HydrophobicContact CD1-CE1 4.03Å; I156-F170 HydrophobicContact CG1-CE1 3.67Å; I156-F170 HydrophobicContact CG1-CZ 3.98Å; I156-E198 HydrophobicContact CG2-CB 4.04Å; I156-E198 HydrophobicContact CG2-CG 3.85Å; I156-F199 HydrophobicContact CD1-CB 4.39Å; I156-F199 HydrophobicContact CD1-CD2 3.34Å; I156-F199 HydrophobicContact CD1-CE2 3.81Å; I156-F199 HydrophobicContact CD1-CG 4.05Å; I156-F199 HydrophobicContact CG2-CB 4.11Å; I156-V202 HydrophobicContact CD1-CB 4.21Å; I156-V202 HydrophobicContact CD1-CG1 4.1Å; I156-V202 HydrophobicContact CD1-CG2 4.11Å
157L73.3Confident77.9Confident39 Ų3949.5 Ų49.520%0.20428%0.278CS..PPolyproline II helixtrans-92158.1-176-67.4161.4000110.5G155 Q162G155-L157 PolarHBondContact O-N 3.05Å; L157-Q162 HydrophobicContact CB-CB 4.24Å; L157-Q162 HydrophobicContact CD1-CB 3.77Å; L157-Q162 HydrophobicContact CD1-CG 4.12Å; L157-Q162 VanDerWaalsContact CD1-OE1 3.27Å
158S65.3Low77.8Confident83 Ų8349.4 Ų49.458%0.5827%0.274SS*.SBendtrans-95.2104.2173.652.50000109.5
159G60Low77.4Confident41 Ų4154 Ų5442%0.42330%0.298SS..SBendtrans128.2145.8166.500000116.6K161 Q162G159-K161 PolarHBondContact O-N 2.95Å; G159-Q162 PolarHBondContact O-N 3.17Å
160E54Low77Confident159 Ų15954.4 Ų54.474%0.74330%0.3SS*.Hα-helixtrans-59.2-34.3-172.2-70.3-178.1152.600115.2Q162 R163E160-Q162 PolarHBondContact O-N 3.16Å; E160-Q162 VanDerWaalsContact O-N 3.13Å; E160-R163 WeakPolarHBondContact O-CB 3.47Å; E160-R163 PolarHBondContact O-N 2.87Å
161K53.1Low76.6Confident194 Ų19455.1 Ų55.184%0.84331%0.306SS*.Hα-helixtrans-62-24.5-176.3-71.5-174.1179179.40113.4G159G159-K161 PolarHBondContact O-N 2.95Å
162Q55.7Low76.1Confident83 Ų8356.3 Ų56.339%0.38832%0.316SS..Hα-helixtrans-91.7-20.7-178.7-72.7174.7-22.400113.1L157 G159 E160 I164 S165L157-Q162 HydrophobicContact CB-CB 4.24Å; L157-Q162 HydrophobicContact CD1-CB 3.77Å; L157-Q162 HydrophobicContact CD1-CG 4.12Å; L157-Q162 VanDerWaalsContact CD1-OE1 3.27Å; G159-Q162 PolarHBondContact O-N 3.17Å; E160-Q162 PolarHBondContact O-N 3.16Å; E160-Q162 VanDerWaalsContact O-N 3.13Å; Q162-I164 VanDerWaalsContact C-N 3.28Å; Q162-I164 PolarHBondContact O-N 3.38Å; Q162-S165 WeakPolarHBondContact O-CB 3.03Å; Q162-S165 PolarHBondContact O-N 3.26Å; Q162-S165 VanDerWaalsContact O-N 3.16Å
163R56.2Low76Confident90 Ų9056.3 Ų56.334%0.3432%0.316SS..Hα-helixtrans-57.2-42.8170.1-71.6-175.8-178.9-158.7-1111.7E160 S165 E198 E201E160-R163 WeakPolarHBondContact O-CB 3.47Å; E160-R163 PolarHBondContact O-N 2.87Å; R163-S165 PolarHBondContact O-N 3.41Å; R163-E198 HydrophobicContact CG-CG 4.35Å; R163-E198 VanDerWaalsContact CG-OE2 3.27Å; R163-E198 WeakPolarHBondContact CG-OE2 3.41Å; R163-E198 IonicContact NE-OE2 2.8Å; R163-E201 IonicContact CZ-OE2 2.71Å; R163-E201 IonicContact NH1-OE2 3.91Å; R163-E201 PolarHBondContact NH1-OE2 2.96Å; R163-E201 IonicContact NH2-OE2 3.01Å; R163-E201 PolarHBondContact NH2-OE2 2.87Å
164I54.7Low75.9Confident150 Ų15056.3 Ų56.377%0.76932%0.316SS*.THydrogen-bonded Turntrans-69.7-21.3-178.3-56.3173.4000111.9Q162Q162-I164 VanDerWaalsContact C-N 3.28Å; Q162-I164 PolarHBondContact O-N 3.38Å
165S64.8Low75.9Confident82 Ų8258.3 Ų58.357%0.57333%0.325SS*.THydrogen-bonded Turntrans-81-14.3-174.5-171.60000114.6R134 Q162 R163R134-S165 PolarHBondContact NH2-O 2.87Å; R134-S165 VanDerWaalsContact NH2-O 3.07Å; Q162-S165 WeakPolarHBondContact O-CB 3.03Å; Q162-S165 PolarHBondContact O-N 3.26Å; Q162-S165 VanDerWaalsContact O-N 3.16Å; R163-S165 PolarHBondContact O-N 3.41Å
166R77.7Confident76.1Confident17 Ų1758.8 Ų58.86%0.06432%0.324CS..SBendtrans-78.2-33.8-176.1-68.4-170.5-174.8139.714.4113.5Y168 F170 E198R166-Y168 HydrophobicContact CB-CD1 4.06Å; R166-Y168 HydrophobicContact CB-CE1 3.78Å; R166-Y168 HydrophobicContact CG-CE1 4.47Å; R166-Y168 WeakPolarHBondContact O-CD1 3.41Å; R166-Y168 PolarHBondContact O-N 2.92Å; R166-F170 VanDerWaalsContact NH1-CB 3.31Å; R166-F170 VanDerWaalsContact NH1-CD1 3.27Å; R166-F170 VanDerWaalsContact NH1-CD2 3.33Å; R166-E198 IonicContact CZ-OE1 3.61Å; R166-E198 IonicContact NH1-OE1 2.72Å; R166-E198 PolarHBondContact NH1-OE1 3.15Å; R166-E198 IonicContact NH2-OE1 3.58Å; R166-E198 PolarHBondContact NH2-OE1 3.04Å
167G84.4Confident76.5Confident57 Ų5758.7 Ų58.759%0.58832%0.324SS*.SBendtrans73.811.6-178.500000114.6A130A130-G167 WeakPolarHBondContact CB-O 3.3Å
168Y88.5Confident77.3Confident25 Ų2556.9 Ų56.910%0.09831%0.314CS..SBendtrans-149.5159.9172.964.4-88.3000110.1F96 F131 R166 F170 V173F96-Y168 AromaticContact CE2-CE2 3.92Å; F96-Y168 HydrophobicContact CE2-CE2 3.92Å; F96-Y168 WeakPolarHBondContact CE2-OH 3.43Å; F131-Y168 HydrophobicContact CB-CD1 4.14Å; F131-Y168 HydrophobicContact CB-CD2 4.33Å; F131-Y168 HydrophobicContact CB-CG 3.87Å; F131-Y168 HydrophobicContact CD2-CD1 4.4Å; F131-Y168 AromaticContact CD2-CD2 3.77Å; F131-Y168 HydrophobicContact CD2-CD2 3.77Å; F131-Y168 HydrophobicContact CD2-CE1 4.44Å; F131-Y168 AromaticContact CD2-CE2 3.8Å; F131-Y168 HydrophobicContact CD2-CE2 3.8Å; F131-Y168 HydrophobicContact CD2-CG 4.1Å; F131-Y168 HydrophobicContact CE2-CE2 4.4Å; F131-Y168 HydrophobicContact CG-CD2 4.48Å; F131-Y168 HydrophobicContact CG-CG 4.47Å; R166-Y168 HydrophobicContact CB-CD1 4.06Å; R166-Y168 HydrophobicContact CB-CE1 3.78Å; R166-Y168 HydrophobicContact CG-CE1 4.47Å; R166-Y168 WeakPolarHBondContact O-CD1 3.41Å; R166-Y168 PolarHBondContact O-N 2.92Å; Y168-F170 HydrophobicContact CE2-CB 4.14Å; Y168-F170 AromaticContact CE2-CD2 3.93Å; Y168-F170 HydrophobicContact CE2-CD2 3.93Å; Y168-F170 PolarHBondContact O-N 2.87Å; Y168-V173 HydrophobicContact CD2-CG2 3.96Å; Y168-V173 HydrophobicContact CE2-CG2 4.33Å
169D87.9Confident78.4Confident97 Ų9755.4 Ų55.452%0.51930%0.298SS..  trans-77.7103.4176.2-173.8-21.1000110.5A171 A172 V173D169-A171 PolarHBondContact OD1-N 3.23Å; D169-A171 VanDerWaalsContact OD1-N 3.08Å; D169-A172 HydrophobicContact CB-CB 3.9Å; D169-A172 PolarHBondContact OD1-N 3.03Å; D169-A172 WeakPolarHBondContact OD2-CB 3.42Å; D169-V173 VanDerWaalsContact O-CG2 3.31Å; D169-V173 WeakPolarHBondContact O-CG2 3.34Å; D169-V173 PolarHBondContact O-N 2.74Å
170F89.3Confident79.8Confident11 Ų1154.5 Ų54.55%0.04828%0.282CS..Hα-helixtrans-69.3-37-177.5-177.2-98.4000113.2F96 P154 I156 R166 Y168 V173 L174 V202F96-F170 HydrophobicContact CE1-CE2 4.4Å; F96-F170 AromaticContact CE2-CD2 3.84Å; F96-F170 HydrophobicContact CE2-CD2 3.84Å; F96-F170 AromaticContact CE2-CE2 3.7Å; F96-F170 HydrophobicContact CE2-CE2 3.7Å; F96-F170 AromaticContact CZ-CD2 3.71Å; F96-F170 HydrophobicContact CZ-CD2 3.71Å; F96-F170 AromaticContact CZ-CE2 3.39Å; F96-F170 HydrophobicContact CZ-CE2 3.39Å; F96-F170 HydrophobicContact CZ-CZ 4.21Å; P154-F170 HydrophobicContact CB-CE2 4.17Å; P154-F170 HydrophobicContact CG-CE2 4.13Å; I156-F170 HydrophobicContact CD1-CE1 4.03Å; I156-F170 HydrophobicContact CG1-CE1 3.67Å; I156-F170 HydrophobicContact CG1-CZ 3.98Å; R166-F170 VanDerWaalsContact NH1-CB 3.31Å; R166-F170 VanDerWaalsContact NH1-CD1 3.27Å; R166-F170 VanDerWaalsContact NH1-CD2 3.33Å; Y168-F170 HydrophobicContact CE2-CB 4.14Å; Y168-F170 AromaticContact CE2-CD2 3.93Å; Y168-F170 HydrophobicContact CE2-CD2 3.93Å; Y168-F170 PolarHBondContact O-N 2.87Å; F170-V173 PolarHBondContact O-N 3.41Å; F170-L174 HydrophobicContact CD1-CD1 3.89Å; F170-L174 HydrophobicContact CD1-CG 4.46Å; F170-L174 HydrophobicContact CE1-CD1 3.27Å; F170-L174 HydrophobicContact CE1-CG 4.08Å; F170-L174 HydrophobicContact CZ-CD1 3.73Å; F170-L174 HydrophobicContact CZ-CG 4.26Å; F170-L174 PolarHBondContact O-N 2.81Å; F170-L174 VanDerWaalsContact O-N 3.11Å; F170-V202 HydrophobicContact CD1-CG2 3.93Å; F170-V202 HydrophobicContact CE1-CG2 4Å
171A88.8Confident81.7Confident16 Ų1647 Ų4713%0.13225%0.247CC..Hα-helixtrans-68.8-42-179.600000110.4D169 V173 L174 E175 A205D169-A171 PolarHBondContact OD1-N 3.23Å; D169-A171 VanDerWaalsContact OD1-N 3.08Å; A171-V173 VanDerWaalsContact C-N 3.35Å; A171-V173 PolarHBondContact O-N 3.11Å; A171-L174 PolarHBondContact O-N 3.49Å; A171-E175 PolarHBondContact O-N 3.23Å; A171-A205 HydrophobicContact CB-CB 4.44Å
172A88.6Confident83.6Confident25 Ų2538.1 Ų38.121%0.20721%0.209CC..Hα-helixtrans-64.4-36.517600000112.9F127 D169 E175 W176F127-A172 HydrophobicContact CE1-CB 3.86Å; F127-A172 HydrophobicContact CZ-CB 4.44Å; D169-A172 HydrophobicContact CB-CB 3.9Å; D169-A172 PolarHBondContact OD1-N 3.03Å; D169-A172 WeakPolarHBondContact OD2-CB 3.42Å; A172-E175 PolarHBondContact O-N 2.96Å; A172-W176 WeakPolarHBondContact O-CB 3.3Å; A172-W176 PolarHBondContact O-N 3.3Å
173V93Very high85.5Confident0 Ų034.8 Ų34.80%019%0.193CC..Hα-helixtrans-63.7-43.9173.3170.10000111F96 F127 F131 Y168 D169 F170 A171 W176 F177F96-V173 HydrophobicContact CD1-CG1 4.47Å; F96-V173 HydrophobicContact CE1-CG1 3.85Å; F96-V173 HydrophobicContact CE2-CG1 4.03Å; F96-V173 HydrophobicContact CZ-CB 4.35Å; F96-V173 HydrophobicContact CZ-CG1 3.59Å; F127-V173 HydrophobicContact CB-CG2 4.41Å; F127-V173 HydrophobicContact CD1-CG2 3.6Å; F127-V173 HydrophobicContact CD2-CG2 3.88Å; F127-V173 HydrophobicContact CE1-CG2 3.7Å; F127-V173 HydrophobicContact CE2-CG2 3.97Å; F127-V173 HydrophobicContact CG-CG2 3.7Å; F127-V173 HydrophobicContact CZ-CB 4.45Å; F127-V173 HydrophobicContact CZ-CG2 3.88Å; F131-V173 HydrophobicContact CD2-CG1 4.34Å; F131-V173 HydrophobicContact CD2-CG2 3.85Å; F131-V173 HydrophobicContact CE2-CB 4.35Å; F131-V173 HydrophobicContact CE2-CG1 3.55Å; F131-V173 HydrophobicContact CE2-CG2 3.88Å; F131-V173 HydrophobicContact CG-CG2 4.38Å; F131-V173 HydrophobicContact CZ-CG1 3.85Å; F131-V173 HydrophobicContact CZ-CG2 4.43Å; Y168-V173 HydrophobicContact CD2-CG2 3.96Å; Y168-V173 HydrophobicContact CE2-CG2 4.33Å; D169-V173 VanDerWaalsContact O-CG2 3.31Å; D169-V173 WeakPolarHBondContact O-CG2 3.34Å; D169-V173 PolarHBondContact O-N 2.74Å; F170-V173 PolarHBondContact O-N 3.41Å; A171-V173 VanDerWaalsContact C-N 3.35Å; A171-V173 PolarHBondContact O-N 3.11Å; V173-W176 WeakPolarHBondContact O-CB 3.16Å; V173-W176 PolarHBondContact O-N 3.38Å; V173-F177 HydrophobicContact CG1-CD2 3.88Å; V173-F177 HydrophobicContact CG1-CE2 3.75Å; V173-F177 VanDerWaalsContact O-CD2 3.3Å; V173-F177 WeakPolarHBondContact O-CD2 3.01Å; V173-F177 PolarHBondContact O-N 3.09Å
174L93.6Very high87.5Confident0 Ų030.5 Ų30.50%018%0.176CC..Hα-helixtrans-67.1-39.7177.5-73.3-179.9000112.5L61 V63 F96 T153 F170 A171 W176 F177 A178 V202L61-L174 HydrophobicContact CD1-CD2 4.27Å; L61-L174 HydrophobicContact CD2-CD2 4.15Å; V63-L174 HydrophobicContact CG1-CD1 3.99Å; V63-L174 HydrophobicContact CG2-CD2 4.09Å; F96-L174 HydrophobicContact CE1-CD2 3.82Å; F96-L174 HydrophobicContact CZ-CD2 4.27Å; T153-L174 HydrophobicContact CG2-CD2 3.73Å; F170-L174 HydrophobicContact CD1-CD1 3.89Å; F170-L174 HydrophobicContact CD1-CG 4.46Å; F170-L174 HydrophobicContact CE1-CD1 3.27Å; F170-L174 HydrophobicContact CE1-CG 4.08Å; F170-L174 HydrophobicContact CZ-CD1 3.73Å; F170-L174 HydrophobicContact CZ-CG 4.26Å; F170-L174 PolarHBondContact O-N 2.81Å; F170-L174 VanDerWaalsContact O-N 3.11Å; A171-L174 PolarHBondContact O-N 3.49Å; L174-W176 VanDerWaalsContact C-N 3.29Å; L174-W176 PolarHBondContact O-N 2.89Å; L174-F177 PolarHBondContact O-N 2.98Å; L174-A178 WeakPolarHBondContact O-CB 3.37Å; L174-A178 PolarHBondContact O-N 2.88Å; L174-V202 HydrophobicContact CD1-CB 4.33Å; L174-V202 HydrophobicContact CD1-CG1 3.31Å; L174-V202 HydrophobicContact CD1-CG2 4.03Å
175E91.2Very high89.5Confident48 Ų4823.3 Ų23.322%0.22414%0.14CC..Hα-helixtrans-56.5-45.3171.1-170.2178.3-167.200110A171 A172 F177 A178 E179 K357A171-E175 PolarHBondContact O-N 3.23Å; A172-E175 PolarHBondContact O-N 2.96Å; E175-F177 PolarHBondContact O-N 3.19Å; E175-A178 WeakPolarHBondContact O-CB 3.35Å; E175-A178 PolarHBondContact O-N 2.91Å; E175-A178 VanDerWaalsContact O-N 3.16Å; E175-E179 PolarHBondContact O-N 2.6Å; E175-K357 IonicContact OE1-NZ 2.7Å; E175-K357 PolarHBondContact OE1-NZ 3.25Å; E175-K357 IonicContact OE2-NZ 3.2Å; E175-K357 PolarHBondContact OE2-NZ 3.38Å
176W91.7Very high91.1Very high16 Ų1619.4 Ų19.46%0.06111%0.113CC..Hα-helixtrans-60.5-40.4177.3-177.995.6000113.5P120 F121 K123 L124 F127 A172 V173 L174 R180P120-W176 VanDerWaalsContact O-CH2 3.25Å; P120-W176 WeakPolarHBondContact O-CH2 3.47Å; F121-W176 HydrophobicContact CD1-CH2 4.16Å; F121-W176 HydrophobicContact CD1-CZ3 4.41Å; K123-W176 HydrophobicContact CB-CZ2 4.16Å; L124-W176 HydrophobicContact CD1-CE3 4.44Å; L124-W176 HydrophobicContact CD1-CH2 4.02Å; L124-W176 HydrophobicContact CD1-CZ3 3.86Å; L124-W176 HydrophobicContact CD2-CD2 3.56Å; L124-W176 HydrophobicContact CD2-CE3 3.39Å; L124-W176 HydrophobicContact CD2-CG 4.24Å; L124-W176 HydrophobicContact CD2-CH2 4.01Å; L124-W176 HydrophobicContact CD2-CZ2 4.15Å; L124-W176 HydrophobicContact CD2-CZ3 3.64Å; L124-W176 HydrophobicContact CG-CD2 4.29Å; L124-W176 HydrophobicContact CG-CE3 4.05Å; L124-W176 HydrophobicContact CG-CH2 3.72Å; L124-W176 HydrophobicContact CG-CZ2 3.95Å; L124-W176 HydrophobicContact CG-CZ3 3.76Å; F127-W176 HydrophobicContact CE2-CB 4.09Å; F127-W176 HydrophobicContact CE2-CG 4.07Å; F127-W176 HydrophobicContact CZ-CB 4.04Å; F127-W176 HydrophobicContact CZ-CG 4.43Å; A172-W176 WeakPolarHBondContact O-CB 3.3Å; A172-W176 PolarHBondContact O-N 3.3Å; V173-W176 WeakPolarHBondContact O-CB 3.16Å; V173-W176 PolarHBondContact O-N 3.38Å; L174-W176 VanDerWaalsContact C-N 3.29Å; L174-W176 PolarHBondContact O-N 2.89Å; W176-R180 PolarHBondContact O-NH1 3.04Å
177F93.9Very high92Very high0 Ų018.6 Ų18.60%011%0.109CC..Hα-helixtrans-69-41.4174.5-83.6-72.3000111.3L61 F96 F121 L124 F135 I151 V173 L174 E175 E179 R180 V181L61-F177 HydrophobicContact CD1-CB 4.14Å; L61-F177 HydrophobicContact CD1-CG 4.3Å; L61-F177 HydrophobicContact CD2-CB 3.92Å; F96-F177 HydrophobicContact CD1-CD2 4.43Å; F96-F177 AromaticContact CD1-CE2 3.85Å; F96-F177 HydrophobicContact CD1-CE2 3.85Å; F96-F177 HydrophobicContact CE1-CD2 4.31Å; F96-F177 HydrophobicContact CE1-CE2 4.11Å; F121-F177 HydrophobicContact CD1-CE1 4.48Å; F121-F177 HydrophobicContact CE1-CE1 4.05Å; L124-F177 HydrophobicContact CD1-CZ 4.03Å; F135-F177 HydrophobicContact CE2-CZ 4.08Å; F135-F177 HydrophobicContact CZ-CZ 4.4Å; I151-F177 HydrophobicContact CD1-CE1 4.09Å; I151-F177 HydrophobicContact CG1-CD1 4.19Å; I151-F177 HydrophobicContact CG1-CE1 4.08Å; I151-F177 HydrophobicContact CG2-CD1 4.26Å; I151-F177 HydrophobicContact CG2-CE1 3.96Å; I151-F177 HydrophobicContact CG2-CZ 4.11Å; V173-F177 HydrophobicContact CG1-CD2 3.88Å; V173-F177 HydrophobicContact CG1-CE2 3.75Å; V173-F177 VanDerWaalsContact O-CD2 3.3Å; V173-F177 WeakPolarHBondContact O-CD2 3.01Å; V173-F177 PolarHBondContact O-N 3.09Å; L174-F177 PolarHBondContact O-N 2.98Å; E175-F177 PolarHBondContact O-N 3.19Å; F177-E179 PolarHBondContact O-N 3.38Å; F177-R180 CarbonylContact O-C 3.33Å; F177-R180 WeakPolarHBondContact O-CA 3.04Å; F177-R180 PolarHBondContact O-N 2.93Å; F177-V181 HydrophobicContact CB-CG1 4.41Å; F177-V181 VanDerWaalsContact O-CG1 3.3Å; F177-V181 WeakPolarHBondContact O-CG1 3.43Å; F177-V181 WeakPolarHBondContact O-CG2 3.37Å; F177-V181 PolarHBondContact O-N 3.41Å
178A91.9Very high92.5Very high0 Ų016.1 Ų16.10%08%0.082CC..Hα-helixtrans-59-33.3-178.600000113.6L174 E175 R180 I184 L206 H209 K212L174-A178 WeakPolarHBondContact O-CB 3.37Å; L174-A178 PolarHBondContact O-N 2.88Å; E175-A178 WeakPolarHBondContact O-CB 3.35Å; E175-A178 PolarHBondContact O-N 2.91Å; E175-A178 VanDerWaalsContact O-N 3.16Å; A178-R180 PolarHBondContact O-N 3.41Å; A178-I184 HydrophobicContact CB-CD1 3.77Å; A178-L206 HydrophobicContact CB-CD2 3.32Å; A178-H209 HydrophobicContact CB-CB 4.43Å; A178-K212 PolarHBondContact O-NZ 3.28Å
179E87.2Confident92.8Very high53 Ų5315.5 Ų15.525%0.2488%0.081CC..THydrogen-bonded Turntrans-62.3-27.5172-68.6-174.9154.700113.5S46 E175 F177S46-E179 WeakPolarHBondContact CB-OE1 3.44Å; S46-E179 WeakPolarHBondContact CB-OE2 3.35Å; S46-E179 PolarHBondContact OG-OE1 3.37Å; E175-E179 PolarHBondContact O-N 2.6Å; F177-E179 PolarHBondContact O-N 3.38Å
180R89.3Confident93.1Very high22 Ų2210.9 Ų10.98%0.0836%0.056CC..THydrogen-bonded Turntrans-113.4-19.5-168.9-71.5167.3179.96810.9114.6D53 M59 W176 F177 A178D53-R180 IonicContact OD1-NE 3.58Å; M59-R180 HydrophobicContact CE-CB 3.84Å; M59-R180 WeakPolarHBondContact CE-O 3.38Å; W176-R180 PolarHBondContact O-NH1 3.04Å; F177-R180 CarbonylContact O-C 3.33Å; F177-R180 WeakPolarHBondContact O-CA 3.04Å; F177-R180 PolarHBondContact O-N 2.93Å; A178-R180 PolarHBondContact O-N 3.41Å
181V93.6Very high93.1Very high0 Ų015.1 Ų15.10%08%0.076CC..  trans-82.7157.7177.4-58.80000111.5M59 L61 F177 I184 K212M59-V181 HydrophobicContact CB-CB 4.12Å; M59-V181 HydrophobicContact CB-CG1 3.73Å; M59-V181 HydrophobicContact CE-CG1 4.37Å; M59-V181 WeakPolarHBondContact O-CB 3.28Å; L61-V181 HydrophobicContact CB-CB 4.31Å; L61-V181 HydrophobicContact CB-CG1 3.93Å; L61-V181 HydrophobicContact CB-CG2 4.01Å; F177-V181 HydrophobicContact CB-CG1 4.41Å; F177-V181 VanDerWaalsContact O-CG1 3.3Å; F177-V181 WeakPolarHBondContact O-CG1 3.43Å; F177-V181 WeakPolarHBondContact O-CG2 3.37Å; F177-V181 PolarHBondContact O-N 3.41Å; V181-I184 HydrophobicContact CG2-CD1 4.34Å; V181-I184 HydrophobicContact CG2-CG1 3.68Å; V181-K212 WeakPolarHBondContact O-CD 3.35Å; V181-K212 WeakPolarHBondContact O-CE 3.29Å; V181-K212 PolarHBondContact O-NZ 3.1Å
182D94.1Very high92.9Very high8 Ų821.3 Ų21.34%0.04310%0.1CC..SBendtrans-92.8-25.4178.6-66.7-106000112P58 M59 L284 R291P58-D182 WeakPolarHBondContact CA-OD2 3.21Å; P58-D182 HydrophobicContact CB-CB 4.19Å; P58-D182 WeakPolarHBondContact CB-OD2 3.33Å; M59-D182 PolarHBondContact N-OD2 2.82Å; M59-D182 PolarHBondContact O-N 2.92Å; D182-L284 HydrophobicContact CB-CD2 4.23Å; D182-R291 IonicContact OD1-NH1 2.78Å; D182-R291 PolarHBondContact OD1-NH1 3.1Å
183R95.4Very high92.8Very high13 Ų1322.5 Ų22.55%0.04910%0.103CC..EExtended strand (participates in β ladder)trans-147137.3-175.3-164.265.666.9-149.812.3110.2M59 V60 L61 I185 K212 R214 D280 L284M59-R183 PolarHBondContact O-N 2.94Å; V60-R183 WeakPolarHBondContact CA-O 3.36Å; V60-R183 HydrophobicContact CG1-CB 4.37Å; V60-R183 HydrophobicContact CG2-CB 4.3Å; L61-R183 PolarHBondContact N-O 3.28Å; R183-I185 HydrophobicContact CG-CG1 4.38Å; R183-K212 WeakPolarHBondContact CD-O 3.47Å; R183-R214 HydrophobicContact CG-CG 4.47Å; R183-D280 IonicContact CZ-OD1 2.75Å; R183-D280 IonicContact CZ-OD2 3.07Å; R183-D280 IonicContact NE-OD1 3.78Å; R183-D280 IonicContact NE-OD2 2.83Å; R183-D280 PolarHBondContact NE-OD2 3.25Å; R183-D280 IonicContact NH2-OD1 2.66Å; R183-D280 PolarHBondContact NH2-OD1 3.48Å; R183-D280 IonicContact NH2-OD2 2.69Å; R183-L284 HydrophobicContact CB-CD1 4.08Å; R183-L284 HydrophobicContact CB-CD2 4.09Å
184I97.4Very high92.3Very high0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-118.6115174.9-55.4172.8000107.2L61 V63 A178 V181 L186 L206 H209 K212 M213 R214L61-I184 HydrophobicContact CB-CG1 4.5Å; L61-I184 HydrophobicContact CD2-CG1 4.41Å; L61-I184 HydrophobicContact CD2-CG2 4.39Å; L61-I184 CarbonylContact O-C 3.45Å; L61-I184 WeakPolarHBondContact O-CA 3.43Å; V63-I184 HydrophobicContact CG2-CG2 4.14Å; A178-I184 HydrophobicContact CB-CD1 3.77Å; V181-I184 HydrophobicContact CG2-CD1 4.34Å; V181-I184 HydrophobicContact CG2-CG1 3.68Å; I184-L186 HydrophobicContact CG2-CD2 3.92Å; I184-L206 HydrophobicContact CD1-CD2 4.37Å; I184-L206 HydrophobicContact CG2-CD1 4.22Å; I184-H209 HydrophobicContact CD1-CB 4.1Å; I184-K212 HydrophobicContact CD1-CB 4.36Å; I184-K212 HydrophobicContact CG1-CB 4.29Å; I184-K212 PolarHBondContact N-O 3.48Å; I184-M213 HydrophobicContact CB-CG 4.43Å; I184-M213 CarbonylContact O-C 3.57Å; I184-M213 WeakPolarHBondContact O-CA 3.24Å; I184-R214 PolarHBondContact O-N 3.3Å
185I97.9Very high92Very high0 Ų028 Ų280%013%0.132CC..EExtended strand (participates in β ladder)trans-98.5113.9176.8-55-177.2000108.3V60 L61 V63 F73 R183 L187 R214 V216 I281V60-I185 HydrophobicContact CG1-CD1 3.56Å; V60-I185 HydrophobicContact CG1-CG1 3.82Å; L61-I185 PolarHBondContact O-N 2.88Å; V63-I185 PolarHBondContact N-O 3.28Å; F73-I185 HydrophobicContact CE1-CD1 3.85Å; F73-I185 HydrophobicContact CZ-CD1 3.99Å; R183-I185 HydrophobicContact CG-CG1 4.38Å; I185-L187 HydrophobicContact CB-CD1 4.14Å; I185-L187 HydrophobicContact CG2-CD1 3.52Å; I185-L187 HydrophobicContact CG2-CG 4.28Å; I185-R214 CarbonylContact C-O 3.58Å; I185-R214 WeakPolarHBondContact CA-O 3.27Å; I185-V216 HydrophobicContact CG2-CB 4.14Å; I185-V216 HydrophobicContact CG2-CG2 3.48Å; I185-V216 VanDerWaalsContact CG2-CG2 3.48Å; I185-I281 HydrophobicContact CD1-CD1 4.06Å
186L97.1Very high91.7Very high0 Ų026.3 Ų26.30%013%0.125CC..EExtended strand (participates in β ladder)trans-91.9107.8174.1-56.9-176.6000109.2V63 I184 F188 I203 M213 R214 V215 V216V63-L186 HydrophobicContact CB-CD2 3.86Å; V63-L186 HydrophobicContact CG1-CD2 4.37Å; V63-L186 HydrophobicContact CG2-CD2 4.48Å; V63-L186 CarbonylContact O-C 3.51Å; V63-L186 WeakPolarHBondContact O-CA 3.38Å; I184-L186 HydrophobicContact CG2-CD2 3.92Å; L186-F188 HydrophobicContact CB-CE2 3.86Å; L186-I203 HydrophobicContact CD1-CG1 4.36Å; L186-M213 HydrophobicContact CD1-SD 4.03Å; L186-R214 PolarHBondContact N-O 3.3Å; L186-V215 HydrophobicContact CB-CG2 4.28Å; L186-V215 HydrophobicContact CD1-CG2 4.31Å; L186-V215 CarbonylContact O-C 3.56Å; L186-V215 WeakPolarHBondContact O-CA 3.29Å; L186-V216 PolarHBondContact O-N 3.39Å
187L96.8Very high91.4Very high0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-93.4127.7-179-7687.8000111.7L62 V63 K70 F73 I185 V216L62-L187 HydrophobicContact CB-CD1 4.18Å; L62-L187 HydrophobicContact CD2-CD1 4Å; L62-L187 HydrophobicContact CG-CD1 4.24Å; V63-L187 PolarHBondContact O-N 3.02Å; K70-L187 HydrophobicContact CG-CD1 4.24Å; K70-L187 HydrophobicContact CG-CD2 4.32Å; F73-L187 HydrophobicContact CB-CD2 4.11Å; F73-L187 HydrophobicContact CD2-CD2 4.4Å; F73-L187 HydrophobicContact CG-CD2 4.35Å; I185-L187 HydrophobicContact CB-CD1 4.14Å; I185-L187 HydrophobicContact CG2-CD1 3.52Å; I185-L187 HydrophobicContact CG2-CG 4.28Å; L187-V216 WeakPolarHBondContact CA-O 3.43Å; L187-V216 HydrophobicContact CG-CB 4.3Å
188F96.1Very high91Very high4 Ų432.6 Ų32.62%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-119.4148.6172.5-64.3-93.2000110.4L186 L193 I195 F199 I203 V215 V216 L217 N218 L235 L239L186-F188 HydrophobicContact CB-CE2 3.86Å; F188-L193 HydrophobicContact CB-CD1 4.09Å; F188-L193 HydrophobicContact CD1-CD1 3.93Å; F188-L193 HydrophobicContact CG-CD1 4.32Å; F188-I195 HydrophobicContact CD1-CG1 4.42Å; F188-I195 HydrophobicContact CE1-CD1 3.7Å; F188-I195 HydrophobicContact CE1-CG1 3.83Å; F188-I195 HydrophobicContact CZ-CD1 4.32Å; F188-F199 AromaticContact CD1-CE1 3.98Å; F188-F199 HydrophobicContact CD1-CE1 3.98Å; F188-F199 AromaticContact CE1-CD1 3.98Å; F188-F199 HydrophobicContact CE1-CD1 3.98Å; F188-F199 AromaticContact CE1-CE1 3.28Å; F188-F199 HydrophobicContact CE1-CE1 3.28Å; F188-F199 HydrophobicContact CE1-CZ 4.07Å; F188-F199 HydrophobicContact CE2-CE1 4.3Å; F188-F199 HydrophobicContact CE2-CZ 4.33Å; F188-F199 HydrophobicContact CZ-CD1 4.39Å; F188-F199 AromaticContact CZ-CE1 3.47Å; F188-F199 HydrophobicContact CZ-CE1 3.47Å; F188-F199 VanDerWaalsContact CZ-CE1 3.47Å; F188-F199 AromaticContact CZ-CZ 3.78Å; F188-F199 HydrophobicContact CZ-CZ 3.78Å; F188-I203 HydrophobicContact CZ-CD1 4.38Å; F188-V215 HydrophobicContact CD2-CG1 3.73Å; F188-V215 HydrophobicContact CE2-CG1 3.83Å; F188-V216 PolarHBondContact N-O 2.96Å; F188-L217 HydrophobicContact CB-CD1 4.1Å; F188-N218 WeakPolarHBondContact O-CB 3.45Å; F188-N218 PolarHBondContact O-N 2.86Å; F188-L235 HydrophobicContact CD1-CD1 3.73Å; F188-L235 HydrophobicContact CD2-CD1 3.88Å; F188-L235 HydrophobicContact CD2-CD2 4.34Å; F188-L235 HydrophobicContact CE1-CD1 3.75Å; F188-L235 HydrophobicContact CE2-CD1 3.91Å; F188-L235 HydrophobicContact CG-CD1 3.79Å; F188-L235 HydrophobicContact CG-CD2 4.41Å; F188-L235 HydrophobicContact CZ-CD1 3.84Å; F188-L239 HydrophobicContact CE2-CD2 4.48Å; F188-L239 HydrophobicContact CZ-CD2 4.02Å
189D94.3Very high90.9Very high12 Ų1232.6 Ų32.66%0.06416%0.16CC..EExtended strand (participates in β ladder)trans-94.9121.9174.7-174.1-40.7000109.2T68 H191 K192 L193 K219T68-D189 HydrophobicContact CG2-CB 4.33Å; D189-H191 VanDerWaalsContact C-N 3.27Å; D189-H191 PolarHBondContact O-N 2.69Å; D189-H191 WeakPolarHBondContact OD1-CA 3.31Å; D189-H191 WeakPolarHBondContact OD1-CB 3.45Å; D189-H191 PolarHBondContact OD1-N 3.29Å; D189-K192 CarbonylContact O-C 3.32Å; D189-K192 PolarHBondContact O-N 3.16Å; D189-K192 PolarHBondContact OD1-N 2.75Å; D189-L193 WeakPolarHBondContact O-CA 3.3Å; D189-L193 PolarHBondContact O-N 3.21Å; D189-L193 VanDerWaalsContact O-N 3.14Å; D189-K219 WeakPolarHBondContact OD2-CD 3.27Å; D189-K219 WeakPolarHBondContact OD2-CE 3.5Å; D189-K219 IonicContact OD2-NZ 2.96Å; D189-K219 PolarHBondContact OD2-NZ 2.87Å
190A93.8Very high91Very high1 Ų131 Ų311%0.00815%0.154CC..SBendtrans-67-27.4-178.300000113.5L217 N218 A220 I223A190-L217 HydrophobicContact CB-CD1 3.85Å; A190-L217 HydrophobicContact CB-CG 3.97Å; A190-N218 WeakPolarHBondContact CB-O 3.42Å; A190-N218 PolarHBondContact N-O 3.01Å; A190-A220 HydrophobicContact CB-CB 4.42Å; A190-I223 HydrophobicContact CB-CD1 3.81Å; A190-I223 HydrophobicContact CB-CG1 4.46Å
191H88.6Confident90.9Very high100 Ų10034.3 Ų34.346%0.46317%0.17SC..SBendtrans-80.9-34.6177.9-175.675000111.8D189 I223D189-H191 VanDerWaalsContact C-N 3.27Å; D189-H191 PolarHBondContact O-N 2.69Å; D189-H191 WeakPolarHBondContact OD1-CA 3.31Å; D189-H191 WeakPolarHBondContact OD1-CB 3.45Å; D189-H191 PolarHBondContact OD1-N 3.29Å; H191-I223 HydrophobicContact CB-CG2 4.41Å
192K86Confident90.8Very high146 Ų14634.4 Ų34.464%0.63517%0.171SC*.SBendtrans-123.157.8-178.1-58.8-175-177.31780111.8D189 D194D189-K192 CarbonylContact O-C 3.32Å; D189-K192 PolarHBondContact O-N 3.16Å; D189-K192 PolarHBondContact OD1-N 2.75Å; K192-D194 PolarHBondContact O-N 3.39Å
193L86.3Confident90.7Very high50 Ų5034 Ų3426%0.26217%0.169SC..  trans-67.2105.2178-174.675.2000110.1F188 D189 V231 A234 L235F188-L193 HydrophobicContact CB-CD1 4.09Å; F188-L193 HydrophobicContact CD1-CD1 3.93Å; F188-L193 HydrophobicContact CG-CD1 4.32Å; D189-L193 WeakPolarHBondContact O-CA 3.3Å; D189-L193 PolarHBondContact O-N 3.21Å; D189-L193 VanDerWaalsContact O-N 3.14Å; L193-V231 HydrophobicContact CB-CG1 3.93Å; L193-V231 HydrophobicContact CD2-CG1 3.89Å; L193-V231 WeakPolarHBondContact CD2-O 3.44Å; L193-V231 HydrophobicContact CG-CG1 4.33Å; L193-A234 HydrophobicContact CD2-CB 3.91Å; L193-L235 HydrophobicContact CD1-CB 4.12Å; L193-L235 HydrophobicContact CD1-CD1 4.01Å; L193-L235 HydrophobicContact CD1-CG 4.49Å; L193-L235 HydrophobicContact CD2-CB 3.97Å
194D83Confident90.4Very high87 Ų8739.5 Ų39.547%0.46519%0.19SC..  trans-135.7142.7170.1-174.324000109.3Q65 K192Q65-D194 PolarHBondContact NE2-O 3.12Å; Q65-D194 PolarHBondContact OE1-O 2.88Å; Q65-D194 VanDerWaalsContact OE1-O 3.09Å; K192-D194 PolarHBondContact O-N 3.39Å
195I86Confident89.8Confident28 Ų2840.6 Ų40.614%0.14420%0.199CC..  trans-125.191.1174.3-46.1-167.1000107.2F188 F199 I203 L235 I242F188-I195 HydrophobicContact CD1-CG1 4.42Å; F188-I195 HydrophobicContact CE1-CD1 3.7Å; F188-I195 HydrophobicContact CE1-CG1 3.83Å; F188-I195 HydrophobicContact CZ-CD1 4.32Å; I195-F199 HydrophobicContact CG2-CB 4.35Å; I195-F199 HydrophobicContact CG2-CD1 4.13Å; I195-F199 HydrophobicContact CG2-CG 4.47Å; I195-I203 HydrophobicContact CG2-CD1 4.49Å; I195-L235 HydrophobicContact CD1-CD1 4.17Å; I195-I242 HydrophobicContact CD1-CD1 4.49Å; I195-I242 HydrophobicContact CG2-CD1 3.85Å
196S86.1Confident89.4Confident12 Ų1240.6 Ų40.68%0.08420%0.199CC..  trans-61.815917964.20000111.7Q65 E198 F199 S200Q65-S196 VanDerWaalsContact NE2-CB 3.3Å; Q65-S196 PolarHBondContact NE2-OG 3.28Å; S196-E198 PolarHBondContact O-N 2.83Å; S196-F199 PolarHBondContact O-N 3.4Å; S196-F199 PolarHBondContact OG-N 2.88Å; S196-S200 PolarHBondContact O-N 3.39Å; S196-S200 PolarHBondContact O-OG 2.93Å
197D84.9Confident88.6Confident137 Ų13745 Ų4573%0.73322%0.218SC*.Hα-helixtrans-58.4-37.4176.5-63.8-36000112.1S200 E201D197-S200 PolarHBondContact O-N 2.87Å; D197-E201 WeakPolarHBondContact O-CB 3.37Å; D197-E201 PolarHBondContact O-N 2.66Å
198E85.4Confident87.9Confident12 Ų1250 Ų506%0.05625%0.245CC..Hα-helixtrans-64.1-41.7173.1-168.6-177.6147.600112.7I156 R163 R166 S196 S200 E201 V202I156-E198 HydrophobicContact CG2-CB 4.04Å; I156-E198 HydrophobicContact CG2-CG 3.85Å; R163-E198 HydrophobicContact CG-CG 4.35Å; R163-E198 VanDerWaalsContact CG-OE2 3.27Å; R163-E198 WeakPolarHBondContact CG-OE2 3.41Å; R163-E198 IonicContact NE-OE2 2.8Å; R166-E198 IonicContact CZ-OE1 3.61Å; R166-E198 IonicContact NH1-OE1 2.72Å; R166-E198 PolarHBondContact NH1-OE1 3.15Å; R166-E198 IonicContact NH2-OE1 3.58Å; R166-E198 PolarHBondContact NH2-OE1 3.04Å; S196-E198 PolarHBondContact O-N 2.83Å; E198-S200 VanDerWaalsContact C-N 3.34Å; E198-E201 PolarHBondContact O-N 2.72Å; E198-V202 WeakPolarHBondContact O-CG2 3.47Å; E198-V202 PolarHBondContact O-N 3.28Å
199F90Very high87.4Confident0 Ų051 Ų510%025%0.249CC..Hα-helixtrans-68.4-38.8176.9-166.8-164.6000111.2V63 Q65 I156 F188 I195 S196 E201 V202 I203V63-F199 HydrophobicContact CG1-CE2 3.96Å; Q65-F199 HydrophobicContact CG-CB 4.31Å; Q65-F199 HydrophobicContact CG-CD1 3.69Å; Q65-F199 HydrophobicContact CG-CE1 4.26Å; Q65-F199 HydrophobicContact CG-CG 4.22Å; I156-F199 HydrophobicContact CD1-CB 4.39Å; I156-F199 HydrophobicContact CD1-CD2 3.34Å; I156-F199 HydrophobicContact CD1-CE2 3.81Å; I156-F199 HydrophobicContact CD1-CG 4.05Å; I156-F199 HydrophobicContact CG2-CB 4.11Å; F188-F199 AromaticContact CD1-CE1 3.98Å; F188-F199 HydrophobicContact CD1-CE1 3.98Å; F188-F199 AromaticContact CE1-CD1 3.98Å; F188-F199 HydrophobicContact CE1-CD1 3.98Å; F188-F199 AromaticContact CE1-CE1 3.28Å; F188-F199 HydrophobicContact CE1-CE1 3.28Å; F188-F199 HydrophobicContact CE1-CZ 4.07Å; F188-F199 HydrophobicContact CE2-CE1 4.3Å; F188-F199 HydrophobicContact CE2-CZ 4.33Å; F188-F199 HydrophobicContact CZ-CD1 4.39Å; F188-F199 AromaticContact CZ-CE1 3.47Å; F188-F199 HydrophobicContact CZ-CE1 3.47Å; F188-F199 VanDerWaalsContact CZ-CE1 3.47Å; F188-F199 AromaticContact CZ-CZ 3.78Å; F188-F199 HydrophobicContact CZ-CZ 3.78Å; I195-F199 HydrophobicContact CG2-CB 4.35Å; I195-F199 HydrophobicContact CG2-CD1 4.13Å; I195-F199 HydrophobicContact CG2-CG 4.47Å; S196-F199 PolarHBondContact O-N 3.4Å; S196-F199 PolarHBondContact OG-N 2.88Å; F199-E201 VanDerWaalsContact C-N 3.33Å; F199-E201 PolarHBondContact O-N 2.97Å; F199-V202 PolarHBondContact O-N 3.48Å; F199-I203 HydrophobicContact CD1-CD1 4.45Å; F199-I203 HydrophobicContact CD2-CD1 3.97Å; F199-I203 HydrophobicContact CD2-CG1 3.96Å; F199-I203 HydrophobicContact CE1-CD1 4.45Å; F199-I203 HydrophobicContact CE2-CD1 3.94Å; F199-I203 HydrophobicContact CE2-CG1 3.89Å; F199-I203 HydrophobicContact CG-CD1 4.24Å; F199-I203 HydrophobicContact CZ-CD1 4.2Å; F199-I203 VanDerWaalsContact O-CG1 3.29Å; F199-I203 WeakPolarHBondContact O-CG1 3.41Å; F199-I203 PolarHBondContact O-N 3.49Å
200S89.6Confident87.1Confident18 Ų1853.1 Ų53.113%0.12626%0.259CS..Hα-helixtrans-59.7-42.9173.6-62.90000112.1S196 D197 E198 I203 R204 I242S196-S200 PolarHBondContact O-N 3.39Å; S196-S200 PolarHBondContact O-OG 2.93Å; D197-S200 PolarHBondContact O-N 2.87Å; E198-S200 VanDerWaalsContact C-N 3.34Å; S200-I203 PolarHBondContact O-N 3.13Å; S200-R204 VanDerWaalsContact O-CG 3.28Å; S200-R204 WeakPolarHBondContact O-CG 3.21Å; S200-R204 PolarHBondContact O-N 3.33Å; S200-I242 WeakPolarHBondContact OG-CD1 3.5Å
201E87.6Confident86.8Confident92 Ų9256.8 Ų56.843%0.4328%0.279SS..Hα-helixtrans-63-43.1176-175.1175.5169.600112R163 D197 E198 F199 R204 A205R163-E201 IonicContact CZ-OE2 2.71Å; R163-E201 IonicContact NH1-OE2 3.91Å; R163-E201 PolarHBondContact NH1-OE2 2.96Å; R163-E201 IonicContact NH2-OE2 3.01Å; R163-E201 PolarHBondContact NH2-OE2 2.87Å; D197-E201 WeakPolarHBondContact O-CB 3.37Å; D197-E201 PolarHBondContact O-N 2.66Å; E198-E201 PolarHBondContact O-N 2.72Å; F199-E201 VanDerWaalsContact C-N 3.33Å; F199-E201 PolarHBondContact O-N 2.97Å; E201-R204 WeakPolarHBondContact O-CB 3.2Å; E201-R204 PolarHBondContact O-N 2.62Å; E201-A205 PolarHBondContact O-N 2.88Å
202V90.6Very high87Confident2 Ų252.3 Ų52.31%0.01226%0.258CS..Hα-helixtrans-59.8-49.1173.4165.90000111.1V63 I156 F170 L174 E198 F199 R204 A205 L206V63-V202 HydrophobicContact CG1-CG1 3.97Å; I156-V202 HydrophobicContact CD1-CB 4.21Å; I156-V202 HydrophobicContact CD1-CG1 4.1Å; I156-V202 HydrophobicContact CD1-CG2 4.11Å; F170-V202 HydrophobicContact CD1-CG2 3.93Å; F170-V202 HydrophobicContact CE1-CG2 4Å; L174-V202 HydrophobicContact CD1-CB 4.33Å; L174-V202 HydrophobicContact CD1-CG1 3.31Å; L174-V202 HydrophobicContact CD1-CG2 4.03Å; E198-V202 WeakPolarHBondContact O-CG2 3.47Å; E198-V202 PolarHBondContact O-N 3.28Å; F199-V202 PolarHBondContact O-N 3.48Å; V202-R204 VanDerWaalsContact C-N 3.25Å; V202-R204 PolarHBondContact O-N 2.65Å; V202-A205 WeakPolarHBondContact O-CB 3.39Å; V202-A205 PolarHBondContact O-N 3.22Å; V202-A205 VanDerWaalsContact O-N 3.07Å; V202-L206 HydrophobicContact CG1-CD1 4.24Å; V202-L206 VanDerWaalsContact O-CG 3.31Å; V202-L206 WeakPolarHBondContact O-CG 3.43Å; V202-L206 PolarHBondContact O-N 3.21Å; V202-L206 VanDerWaalsContact O-N 3.13Å
203I91.9Very high87.4Confident0 Ų045.4 Ų45.40%023%0.228CC..Hα-helixtrans-60.4-38.4178.6-64.4165000110.5L186 F188 I195 F199 S200 L206 K207 L239 I242 I243L186-I203 HydrophobicContact CD1-CG1 4.36Å; F188-I203 HydrophobicContact CZ-CD1 4.38Å; I195-I203 HydrophobicContact CG2-CD1 4.49Å; F199-I203 HydrophobicContact CD1-CD1 4.45Å; F199-I203 HydrophobicContact CD2-CD1 3.97Å; F199-I203 HydrophobicContact CD2-CG1 3.96Å; F199-I203 HydrophobicContact CE1-CD1 4.45Å; F199-I203 HydrophobicContact CE2-CD1 3.94Å; F199-I203 HydrophobicContact CE2-CG1 3.89Å; F199-I203 HydrophobicContact CG-CD1 4.24Å; F199-I203 HydrophobicContact CZ-CD1 4.2Å; F199-I203 VanDerWaalsContact O-CG1 3.29Å; F199-I203 WeakPolarHBondContact O-CG1 3.41Å; F199-I203 PolarHBondContact O-N 3.49Å; S200-I203 PolarHBondContact O-N 3.13Å; I203-L206 CarbonylContact O-C 3.6Å; I203-L206 PolarHBondContact O-N 3.35Å; I203-L206 VanDerWaalsContact O-N 3.13Å; I203-K207 PolarHBondContact O-N 3.32Å; I203-L239 HydrophobicContact CD1-CD2 4.22Å; I203-I242 HydrophobicContact CB-CG2 3.83Å; I203-I242 HydrophobicContact CG2-CG2 3.6Å; I203-I243 HydrophobicContact CG2-CG1 3.86Å
204R88.1Confident87.8Confident129 Ų12945.4 Ų45.449%0.48722%0.224SC..Hα-helixtrans-65.1-36.9174.6-72.8178.9-167.5-67.82.1113S200 E201 V202 L206 K207 I242S200-R204 VanDerWaalsContact O-CG 3.28Å; S200-R204 WeakPolarHBondContact O-CG 3.21Å; S200-R204 PolarHBondContact O-N 3.33Å; E201-R204 WeakPolarHBondContact O-CB 3.2Å; E201-R204 PolarHBondContact O-N 2.62Å; V202-R204 VanDerWaalsContact C-N 3.25Å; V202-R204 PolarHBondContact O-N 2.65Å; R204-L206 PolarHBondContact O-N 3.27Å; R204-K207 WeakPolarHBondContact O-CB 3.49Å; R204-K207 WeakPolarHBondContact O-CD 3.42Å; R204-K207 VanDerWaalsContact O-CG 3.24Å; R204-K207 WeakPolarHBondContact O-CG 3.4Å; R204-K207 PolarHBondContact O-N 3.01Å; R204-I242 HydrophobicContact CG-CG2 3.97Å; R204-I242 PolarHBondContact NH1-O 3.13Å
205A86.3Confident88.5Confident23 Ų2341.3 Ų41.319%0.1920%0.202CC..Hα-helixtrans-63.4-29.3173.800000111.5A171 E201 V202A171-A205 HydrophobicContact CB-CB 4.44Å; E201-A205 PolarHBondContact O-N 2.88Å; V202-A205 WeakPolarHBondContact O-CB 3.39Å; V202-A205 PolarHBondContact O-N 3.22Å; V202-A205 VanDerWaalsContact O-N 3.07Å
206L88.9Confident89.1Confident0 Ų040 Ų400%020%0.195CC..THydrogen-bonded Turntrans-88.4-0.2-180-59.5179.6000114.5A178 I184 V202 I203 R204 N208 H209 M213A178-L206 HydrophobicContact CB-CD2 3.32Å; I184-L206 HydrophobicContact CD1-CD2 4.37Å; I184-L206 HydrophobicContact CG2-CD1 4.22Å; V202-L206 HydrophobicContact CG1-CD1 4.24Å; V202-L206 VanDerWaalsContact O-CG 3.31Å; V202-L206 WeakPolarHBondContact O-CG 3.43Å; V202-L206 PolarHBondContact O-N 3.21Å; V202-L206 VanDerWaalsContact O-N 3.13Å; I203-L206 CarbonylContact O-C 3.6Å; I203-L206 PolarHBondContact O-N 3.35Å; I203-L206 VanDerWaalsContact O-N 3.13Å; R204-L206 PolarHBondContact O-N 3.27Å; L206-N208 PolarHBondContact O-N 3.11Å; L206-H209 WeakPolarHBondContact O-CA 3.37Å; L206-H209 WeakPolarHBondContact O-CB 3.25Å; L206-H209 PolarHBondContact O-N 3.39Å; L206-M213 HydrophobicContact CB-CE 3.17Å; L206-M213 HydrophobicContact CD1-CE 4.28Å; L206-M213 HydrophobicContact CG-CE 4.35Å; L206-M213 WeakPolarHBondContact O-CE 3.41Å
207K81.3Confident89.6Confident91 Ų9139.4 Ų39.440%0.39619%0.191SC..G310 helixtrans-53.9-31.3-172.371.5-176.6-178.2174.30115I203 R204 H209I203-K207 PolarHBondContact O-N 3.32Å; R204-K207 WeakPolarHBondContact O-CB 3.49Å; R204-K207 WeakPolarHBondContact O-CD 3.42Å; R204-K207 VanDerWaalsContact O-CG 3.24Å; R204-K207 WeakPolarHBondContact O-CG 3.4Å; R204-K207 PolarHBondContact O-N 3.01Å; K207-H209 PolarHBondContact O-N 2.82Å
208N80.1Confident90.2Very high107 Ų10733.2 Ų33.257%0.57216%0.158SC*.G310 helixtrans-77.81.1-179.6-63.1-25.3000113.1L206L206-N208 PolarHBondContact O-N 3.11Å
209H87.2Confident90.7Very high24 Ų2434.2 Ų34.211%0.11116%0.163CC..G310 helixtrans-126.725.2-177.1-53.9-67.5000111.4A178 I184 L206 K207 D211 K212 M213A178-H209 HydrophobicContact CB-CB 4.43Å; I184-H209 HydrophobicContact CD1-CB 4.1Å; L206-H209 WeakPolarHBondContact O-CA 3.37Å; L206-H209 WeakPolarHBondContact O-CB 3.25Å; L206-H209 PolarHBondContact O-N 3.39Å; K207-H209 PolarHBondContact O-N 2.82Å; H209-D211 PolarHBondContact O-N 2.81Å; H209-K212 HydrophobicContact CB-CD 4.32Å; H209-K212 WeakPolarHBondContact O-CB 3.47Å; H209-K212 PolarHBondContact O-N 2.78Å; H209-M213 PolarHBondContact O-N 3.08Å
210E87.4Confident91Very high56 Ų5634.2 Ų34.226%0.26216%0.163SC..G310 helixtrans-59.2-30.7179.858.2-167.4-149.200113.3K212 M213 I243 T245E210-K212 PolarHBondContact O-N 2.89Å; E210-M213 WeakPolarHBondContact O-CB 3.21Å; E210-M213 PolarHBondContact O-N 2.97Å; E210-I243 HydrophobicContact CB-CG2 4.36Å; E210-T245 WeakPolarHBondContact OE1-CB 3.12Å; E210-T245 PolarHBondContact OE1-OG1 2.81Å; E210-T245 WeakPolarHBondContact OE2-CB 3.42Å
211D87.5Confident91.1Very high79 Ų7933.4 Ų33.442%0.42216%0.157SC..G310 helixtrans-61.7-26.8173.460.3-39.7000113.2H209 R214 K298H209-D211 PolarHBondContact O-N 2.81Å; D211-R214 PolarHBondContact O-NH1 3.3Å; D211-K298 IonicContact OD1-NZ 3.54Å; D211-K298 PolarHBondContact OD1-NZ 3.36Å; D211-K298 IonicContact OD2-NZ 3.52Å; D211-K298 PolarHBondContact OD2-NZ 3.28Å
212K91.8Very high91.4Very high5 Ų531.9 Ų31.92%0.02215%0.149CC..G310 helixtrans-87.3-14177.2-53.2-174.8178-170.70112.7A178 V181 R183 I184 H209 E210 D295A178-K212 PolarHBondContact O-NZ 3.28Å; V181-K212 WeakPolarHBondContact O-CD 3.35Å; V181-K212 WeakPolarHBondContact O-CE 3.29Å; V181-K212 PolarHBondContact O-NZ 3.1Å; R183-K212 WeakPolarHBondContact CD-O 3.47Å; I184-K212 HydrophobicContact CD1-CB 4.36Å; I184-K212 HydrophobicContact CG1-CB 4.29Å; I184-K212 PolarHBondContact N-O 3.48Å; H209-K212 HydrophobicContact CB-CD 4.32Å; H209-K212 WeakPolarHBondContact O-CB 3.47Å; H209-K212 PolarHBondContact O-N 2.78Å; E210-K212 PolarHBondContact O-N 2.89Å; K212-D295 IonicContact NZ-OD1 3.14Å; K212-D295 IonicContact NZ-OD2 2.9Å; K212-D295 PolarHBondContact NZ-OD2 3.27Å
213M94.5Very high91.6Very high1 Ų131.9 Ų31.91%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-78138.9-174.4-68.4-177.8-175.700112.8I184 L186 L206 H209 E210 I243 V249I184-M213 HydrophobicContact CB-CG 4.43Å; I184-M213 CarbonylContact O-C 3.57Å; I184-M213 WeakPolarHBondContact O-CA 3.24Å; L186-M213 HydrophobicContact CD1-SD 4.03Å; L206-M213 HydrophobicContact CB-CE 3.17Å; L206-M213 HydrophobicContact CD1-CE 4.28Å; L206-M213 HydrophobicContact CG-CE 4.35Å; L206-M213 WeakPolarHBondContact O-CE 3.41Å; H209-M213 PolarHBondContact O-N 3.08Å; E210-M213 WeakPolarHBondContact O-CB 3.21Å; E210-M213 PolarHBondContact O-N 2.97Å; M213-I243 HydrophobicContact SD-CD1 4.35Å; M213-V249 HydrophobicContact CB-CG1 4.33Å
214R95.8Very high91.6Very high51 Ų5134.5 Ų34.519%0.19217%0.168CC..EExtended strand (participates in β ladder)trans-132.9136.8165.8-66.9-57179.7-101.25.9108.3R183 I184 I185 L186 D211 Y252 D280R183-R214 HydrophobicContact CG-CG 4.47Å; I184-R214 PolarHBondContact O-N 3.3Å; I185-R214 CarbonylContact C-O 3.58Å; I185-R214 WeakPolarHBondContact CA-O 3.27Å; L186-R214 PolarHBondContact N-O 3.3Å; D211-R214 PolarHBondContact O-NH1 3.3Å; R214-Y252 HydrophobicContact CB-CD2 4.37Å; R214-Y252 HydrophobicContact CB-CE2 3.85Å; R214-Y252 HydrophobicContact CG-CE2 3.92Å; R214-D280 IonicContact CZ-OD2 2.6Å; R214-D280 IonicContact NE-OD2 2.64Å; R214-D280 PolarHBondContact NE-OD2 3.46Å; R214-D280 IonicContact NH2-OD1 2.63Å; R214-D280 IonicContact NH2-OD2 3.54Å
215V97.4Very high91.8Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-102.9134.6-179.8175.70000108.1L186 F188 L235 L239 V249 R250 V251 Y252L186-V215 HydrophobicContact CB-CG2 4.28Å; L186-V215 HydrophobicContact CD1-CG2 4.31Å; L186-V215 CarbonylContact O-C 3.56Å; L186-V215 WeakPolarHBondContact O-CA 3.29Å; F188-V215 HydrophobicContact CD2-CG1 3.73Å; F188-V215 HydrophobicContact CE2-CG1 3.83Å; V215-L235 HydrophobicContact CG1-CD2 3.91Å; V215-L239 HydrophobicContact CB-CD1 4.48Å; V215-L239 HydrophobicContact CG1-CD1 4.11Å; V215-L239 HydrophobicContact CG2-CD1 3.72Å; V215-V249 HydrophobicContact CB-CG1 4.49Å; V215-V249 HydrophobicContact CG2-CB 4.4Å; V215-V249 HydrophobicContact CG2-CG1 3.65Å; V215-R250 PolarHBondContact N-O 3.45Å; V215-V251 HydrophobicContact CB-CB 4.38Å; V215-V251 HydrophobicContact CB-CG2 3.92Å; V215-V251 HydrophobicContact CG1-CB 4.43Å; V215-V251 HydrophobicContact CG1-CG1 4.09Å; V215-V251 HydrophobicContact CG1-CG2 3.94Å; V215-V251 CarbonylContact O-C 3.01Å; V215-V251 VanDerWaalsContact O-CA 3.28Å; V215-V251 WeakPolarHBondContact O-CA 3.5Å; V215-Y252 WeakPolarHBondContact O-CD2 3.35Å; V215-Y252 PolarHBondContact O-N 2.87Å
216V98.3Very high92.1Very high0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-119.3115.6175.4173.10000108I185 L186 L187 F188 N218 Y252 F256 L277I185-V216 HydrophobicContact CG2-CB 4.14Å; I185-V216 HydrophobicContact CG2-CG2 3.48Å; I185-V216 VanDerWaalsContact CG2-CG2 3.48Å; L186-V216 PolarHBondContact O-N 3.39Å; L187-V216 WeakPolarHBondContact CA-O 3.43Å; L187-V216 HydrophobicContact CG-CB 4.3Å; F188-V216 PolarHBondContact N-O 2.96Å; V216-N218 HydrophobicContact CG1-CB 4.24Å; V216-N218 PolarHBondContact O-N 3.48Å; V216-Y252 CarbonylContact C-O 3.58Å; V216-Y252 WeakPolarHBondContact CA-O 3.28Å; V216-Y252 HydrophobicContact CG2-CD2 4.39Å; V216-F256 HydrophobicContact CG1-CD2 3.64Å; V216-F256 HydrophobicContact CG1-CE2 3.31Å; V216-F256 HydrophobicContact CG1-CZ 4.03Å; V216-L277 HydrophobicContact CG2-CD2 3.75Å
217L97.8Very high92.4Very high0 Ų040.8 Ų40.80%020%0.202CC..EExtended strand (participates in β ladder)trans-90.490.4170.6-175.458.9000108F188 A190 L228 V231 Y232 L235 V251 Y252 I253 G254F188-L217 HydrophobicContact CB-CD1 4.1Å; A190-L217 HydrophobicContact CB-CD1 3.85Å; A190-L217 HydrophobicContact CB-CG 3.97Å; L217-L228 HydrophobicContact CD2-CD1 3.97Å; L217-V231 HydrophobicContact CD1-CG1 4.11Å; L217-V231 HydrophobicContact CD2-CG1 4.26Å; L217-Y232 HydrophobicContact CD2-CD2 4.5Å; L217-L235 HydrophobicContact CB-CD2 4.39Å; L217-L235 HydrophobicContact CD1-CD2 4.16Å; L217-V251 HydrophobicContact CB-CG1 4.06Å; L217-Y252 PolarHBondContact N-O 2.9Å; L217-I253 HydrophobicContact CB-CG1 4.47Å; L217-G254 PolarHBondContact O-N 2.98Å; L217-G254 VanDerWaalsContact O-N 3.14Å
218N96.9Very high93.1Very high8 Ų836.4 Ų36.44%0.04318%0.183CC..EExtended strand (participates in β ladder)trans-83.7162.3-173.4-161.714.9000111.8T68 F188 A190 V216 A220 G254 F256T68-N218 PolarHBondContact O-ND2 2.83Å; F188-N218 WeakPolarHBondContact O-CB 3.45Å; F188-N218 PolarHBondContact O-N 2.86Å; A190-N218 WeakPolarHBondContact CB-O 3.42Å; A190-N218 PolarHBondContact N-O 3.01Å; V216-N218 HydrophobicContact CG1-CB 4.24Å; V216-N218 PolarHBondContact O-N 3.48Å; N218-A220 PolarHBondContact O-N 2.87Å; N218-G254 CarbonylContact C-O 3.58Å; N218-G254 VanDerWaalsContact C-O 3.32Å; N218-G254 VanDerWaalsContact CA-O 3.28Å; N218-G254 WeakPolarHBondContact CA-O 3.34Å; N218-F256 PolarHBondContact OD1-N 3.12Å; N218-F256 VanDerWaalsContact OD1-N 3.16Å
219K95.4Very high93.8Very high33 Ų3335.9 Ų35.914%0.14318%0.178CC..  trans59.231.3-179.5-49.5-172.2-164.51650113.1S67 D189 D221 Q222 G254 S255S67-K219 WeakPolarHBondContact O-CE 3.4Å; S67-K219 PolarHBondContact O-NZ 2.8Å; D189-K219 WeakPolarHBondContact OD2-CD 3.27Å; D189-K219 WeakPolarHBondContact OD2-CE 3.5Å; D189-K219 IonicContact OD2-NZ 2.96Å; D189-K219 PolarHBondContact OD2-NZ 2.87Å; K219-D221 PolarHBondContact O-N 2.76Å; K219-Q222 HydrophobicContact CB-CG 4.03Å; K219-Q222 WeakPolarHBondContact O-CB 3.46Å; K219-Q222 WeakPolarHBondContact O-CG 3.44Å; K219-Q222 PolarHBondContact O-N 3.13Å; K219-G254 PolarHBondContact N-O 3.4Å; K219-S255 VanDerWaalsContact CA-OG 3.28Å; K219-S255 WeakPolarHBondContact CA-OG 3.37Å
220A96Very high94.1Very high0 Ų043.8 Ų43.80%021%0.207CC..G310 helixtrans-65.6-23-178.900000112.7A190 N218 Q222 I223 L228 I253 G254 S255 F270A190-A220 HydrophobicContact CB-CB 4.42Å; N218-A220 PolarHBondContact O-N 2.87Å; A220-Q222 PolarHBondContact O-N 3.33Å; A220-I223 WeakPolarHBondContact O-CG1 3.36Å; A220-L228 HydrophobicContact CB-CD1 3.92Å; A220-I253 HydrophobicContact CB-CG2 3.62Å; A220-G254 PolarHBondContact N-O 2.91Å; A220-G254 VanDerWaalsContact N-O 3.17Å; A220-S255 PolarHBondContact N-OG 3.32Å; A220-F270 HydrophobicContact CB-CD1 4.28Å; A220-F270 HydrophobicContact CB-CE1 3.52Å; A220-F270 HydrophobicContact CB-CZ 3.73Å
221D92.9Very high94.6Very high0 Ų042 Ų420%020%0.2CC..G310 helixtrans-68.1-1017577.3-51.9000114.3K219 I223 S255 L261 L262 V263 F270K219-D221 PolarHBondContact O-N 2.76Å; D221-I223 VanDerWaalsContact C-N 3.33Å; D221-S255 WeakPolarHBondContact CB-OG 3.09Å; D221-S255 PolarHBondContact N-OG 3.44Å; D221-S255 WeakPolarHBondContact OD1-CB 3.43Å; D221-S255 PolarHBondContact OD1-OG 2.86Å; D221-L261 HydrophobicContact CB-CB 4.13Å; D221-L261 HydrophobicContact CB-CD2 3.75Å; D221-L261 HydrophobicContact CB-CG 4.5Å; D221-L261 WeakPolarHBondContact OD2-CA 3.46Å; D221-L262 PolarHBondContact OD2-N 3.27Å; D221-V263 VanDerWaalsContact O-CB 3.22Å; D221-V263 WeakPolarHBondContact O-CB 3.45Å; D221-V263 WeakPolarHBondContact O-CG2 2.9Å; D221-V263 PolarHBondContact O-N 3.36Å; D221-F270 HydrophobicContact CB-CE2 3.88Å
222Q93.2Very high94.9Very high60 Ų6042 Ų4228%0.2820%0.195SC..G310 helixtrans-87.3-2.8-178.7-52.8-166.8-6.700113.8K219 A220 L262K219-Q222 HydrophobicContact CB-CG 4.03Å; K219-Q222 WeakPolarHBondContact O-CB 3.46Å; K219-Q222 WeakPolarHBondContact O-CG 3.44Å; K219-Q222 PolarHBondContact O-N 3.13Å; A220-Q222 PolarHBondContact O-N 3.33Å; Q222-L262 HydrophobicContact CB-CD1 4.46Å; Q222-L262 HydrophobicContact CG-CD1 3.95Å
223I94.3Very high95.1Very high3 Ų343.6 Ų43.62%0.01521%0.213CC..SBendtrans-134155.4-175.160.9173.6000110.7A190 H191 A220 D221 Q227 L228 V231A190-I223 HydrophobicContact CB-CD1 3.81Å; A190-I223 HydrophobicContact CB-CG1 4.46Å; H191-I223 HydrophobicContact CB-CG2 4.41Å; A220-I223 WeakPolarHBondContact O-CG1 3.36Å; D221-I223 VanDerWaalsContact C-N 3.33Å; I223-Q227 HydrophobicContact CB-CB 4.15Å; I223-Q227 HydrophobicContact CB-CG 4.04Å; I223-Q227 HydrophobicContact CD1-CG 4.19Å; I223-Q227 HydrophobicContact CG2-CG 4.25Å; I223-L228 HydrophobicContact CD1-CB 3.91Å; I223-L228 HydrophobicContact CD1-CD1 3.97Å; I223-L228 HydrophobicContact CG1-CB 4.2Å; I223-V231 HydrophobicContact CD1-CB 4.45Å; I223-V231 HydrophobicContact CD1-CG2 4.16Å
224S93.2Very high95.1Very high55 Ų5545.7 Ų45.739%0.38523%0.23SC..  trans-70.9160.4176.769.90000112Q226 Q227 L228S224-Q226 VanDerWaalsContact C-N 3.26Å; S224-Q226 PolarHBondContact O-N 3.26Å; S224-Q227 PolarHBondContact O-N 3.24Å; S224-Q227 PolarHBondContact OG-N 2.89Å; S224-L228 WeakPolarHBondContact O-CB 3.5Å; S224-L228 PolarHBondContact O-N 2.87Å
225T92.5Very high95Very high49 Ų4943.3 Ų43.330%0.30122%0.221SC..Hα-helixtrans-53.6-40.8177.8-50.90000112.9L228 M229 N266T225-L228 WeakPolarHBondContact O-CB 3.27Å; T225-L228 PolarHBondContact O-N 3.37Å; T225-M229 WeakPolarHBondContact O-CG 3.3Å; T225-M229 PolarHBondContact O-N 2.86Å; T225-M229 VanDerWaalsContact O-N 3.1Å; T225-N266 WeakPolarHBondContact CG2-OD1 3.29Å; T225-N266 PolarHBondContact OG1-ND2 3.31Å; T225-N266 PolarHBondContact OG1-OD1 3.25Å; T225-N266 VanDerWaalsContact OG1-OD1 3.07Å
226Q92.8Very high94.8Very high150 Ų15045.3 Ų45.370%0.70123%0.231SC*.Hα-helixtrans-66.5-41178.3-68-173.22.700112.4S224 L228 R230S224-Q226 VanDerWaalsContact C-N 3.26Å; S224-Q226 PolarHBondContact O-N 3.26Å; Q226-L228 VanDerWaalsContact C-N 3.35Å; Q226-R230 WeakPolarHBondContact O-CG 3.43Å; Q226-R230 PolarHBondContact O-N 3.41Å
227Q94.3Very high94.5Very high84 Ų8453.5 Ų53.539%0.39326%0.262SS..Hα-helixtrans-67.8-39.5176.8-175.6174.4-5.500110.7I223 S224 M229 R230 V231I223-Q227 HydrophobicContact CB-CB 4.15Å; I223-Q227 HydrophobicContact CB-CG 4.04Å; I223-Q227 HydrophobicContact CD1-CG 4.19Å; I223-Q227 HydrophobicContact CG2-CG 4.25Å; S224-Q227 PolarHBondContact O-N 3.24Å; S224-Q227 PolarHBondContact OG-N 2.89Å; Q227-M229 VanDerWaalsContact C-N 3.35Å; Q227-M229 PolarHBondContact O-N 3.44Å; Q227-R230 WeakPolarHBondContact O-CB 3.44Å; Q227-R230 PolarHBondContact O-N 3.4Å; Q227-R230 VanDerWaalsContact O-N 3.12Å; Q227-V231 HydrophobicContact CG-CG2 4.28Å; Q227-V231 WeakPolarHBondContact O-CG2 3.13Å; Q227-V231 PolarHBondContact O-N 3.08Å
228L95.4Very high94.2Very high0 Ų055.5 Ų55.50%028%0.276CS..Hα-helixtrans-56.9-46.1176-179.261.1000112L217 A220 I223 S224 T225 Q226 R230 V231 Y232 I253 F270L217-L228 HydrophobicContact CD2-CD1 3.97Å; A220-L228 HydrophobicContact CB-CD1 3.92Å; I223-L228 HydrophobicContact CD1-CB 3.91Å; I223-L228 HydrophobicContact CD1-CD1 3.97Å; I223-L228 HydrophobicContact CG1-CB 4.2Å; S224-L228 WeakPolarHBondContact O-CB 3.5Å; S224-L228 PolarHBondContact O-N 2.87Å; T225-L228 WeakPolarHBondContact O-CB 3.27Å; T225-L228 PolarHBondContact O-N 3.37Å; Q226-L228 VanDerWaalsContact C-N 3.35Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 3.33Å; L228-V231 PolarHBondContact O-N 3.48Å; L228-Y232 VanDerWaalsContact O-CB 3.26Å; L228-Y232 WeakPolarHBondContact O-CB 3.43Å; L228-Y232 PolarHBondContact O-N 3.33Å; L228-I253 HydrophobicContact CD1-CG2 3.82Å; L228-I253 HydrophobicContact CD2-CG2 4.03Å; L228-I253 HydrophobicContact CG-CG2 4.39Å; L228-F270 HydrophobicContact CD2-CE1 4.07Å; L228-F270 HydrophobicContact CD2-CZ 4.49Å
229M94.6Very high94Very high96 Ų9655.4 Ų55.447%0.47328%0.275SS..Hα-helixtrans-62.5-36.4177-66.5-59.499.900112.8T225 Q227 G233T225-M229 WeakPolarHBondContact O-CG 3.3Å; T225-M229 PolarHBondContact O-N 2.86Å; T225-M229 VanDerWaalsContact O-N 3.1Å; Q227-M229 VanDerWaalsContact C-N 3.35Å; Q227-M229 PolarHBondContact O-N 3.44Å; M229-G233 PolarHBondContact O-N 3.46Å
230R95.3Very high93.7Very high190 Ų19056 Ų5672%0.71729%0.29SS*.Hα-helixtrans-67.8-45.6175.9-68.1177.5-177.6176.42.7111.8Q226 Q227 L228 G233 A234Q226-R230 WeakPolarHBondContact O-CG 3.43Å; Q226-R230 PolarHBondContact O-N 3.41Å; Q227-R230 WeakPolarHBondContact O-CB 3.44Å; Q227-R230 PolarHBondContact O-N 3.4Å; Q227-R230 VanDerWaalsContact O-N 3.12Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 3.33Å; R230-G233 PolarHBondContact O-N 3.23Å; R230-A234 WeakPolarHBondContact O-CB 3.41Å; R230-A234 PolarHBondContact O-N 3.44Å
231V95.9Very high93.4Very high19 Ų1962 Ų6212%0.11532%0.317CS..Hα-helixtrans-64-45.5178.81720000110.4L193 L217 I223 Q227 L228 G233 A234 L235L193-V231 HydrophobicContact CB-CG1 3.93Å; L193-V231 HydrophobicContact CD2-CG1 3.89Å; L193-V231 WeakPolarHBondContact CD2-O 3.44Å; L193-V231 HydrophobicContact CG-CG1 4.33Å; L217-V231 HydrophobicContact CD1-CG1 4.11Å; L217-V231 HydrophobicContact CD2-CG1 4.26Å; I223-V231 HydrophobicContact CD1-CB 4.45Å; I223-V231 HydrophobicContact CD1-CG2 4.16Å; Q227-V231 HydrophobicContact CG-CG2 4.28Å; Q227-V231 WeakPolarHBondContact O-CG2 3.13Å; Q227-V231 PolarHBondContact O-N 3.08Å; L228-V231 PolarHBondContact O-N 3.48Å; V231-G233 PolarHBondContact O-N 3.16Å; V231-A234 PolarHBondContact O-N 3.09Å; V231-L235 WeakPolarHBondContact O-CB 3.38Å; V231-L235 PolarHBondContact O-N 3.5Å
232Y95.1Very high93.2Very high79 Ų7962.7 Ų62.731%0.3132%0.32SS..Hα-helixtrans-57.2-49.3174.9179.3-98.4000112L217 L228 A234 L235 M236 V251 I253L217-Y232 HydrophobicContact CD2-CD2 4.5Å; L228-Y232 VanDerWaalsContact O-CB 3.26Å; L228-Y232 WeakPolarHBondContact O-CB 3.43Å; L228-Y232 PolarHBondContact O-N 3.33Å; Y232-A234 VanDerWaalsContact C-N 3.34Å; Y232-A234 PolarHBondContact O-N 3.17Å; Y232-L235 PolarHBondContact O-N 3Å; Y232-M236 HydrophobicContact CD1-CG 4.34Å; Y232-M236 HydrophobicContact CE1-CG 3.95Å; Y232-M236 HydrophobicContact CE2-CG 4.24Å; Y232-M236 HydrophobicContact CE2-SD 4.5Å; Y232-M236 WeakPolarHBondContact O-CG 3.34Å; Y232-M236 PolarHBondContact O-N 3.03Å; Y232-V251 HydrophobicContact CD2-CG1 4.21Å; Y232-V251 HydrophobicContact CE2-CB 3.81Å; Y232-V251 HydrophobicContact CE2-CG1 3.88Å; Y232-V251 HydrophobicContact CE2-CG2 4.1Å; Y232-I253 HydrophobicContact CD2-CD1 3.72Å; Y232-I253 HydrophobicContact CD2-CG1 4.33Å; Y232-I253 HydrophobicContact CE2-CD1 4Å; Y232-I253 HydrophobicContact CG-CD1 4.46Å
233G94.7Very high92.9Very high38 Ų3860.6 Ų60.639%0.39231%0.311SS..Hα-helixtrans-59.8-42176.700000113M229 R230 V231 W237M229-G233 PolarHBondContact O-N 3.46Å; R230-G233 PolarHBondContact O-N 3.23Å; V231-G233 PolarHBondContact O-N 3.16Å; G233-W237 WeakPolarHBondContact O-CB 3.43Å; G233-W237 PolarHBondContact O-N 3.33Å
234A94.7Very high92.4Very high45 Ų4566.9 Ų66.937%0.37235%0.345SS..Hα-helixtrans-65-41.1176.600000112.6L193 R230 V231 Y232 S238L193-A234 HydrophobicContact CD2-CB 3.91Å; R230-A234 WeakPolarHBondContact O-CB 3.41Å; R230-A234 PolarHBondContact O-N 3.44Å; V231-A234 PolarHBondContact O-N 3.09Å; Y232-A234 VanDerWaalsContact C-N 3.34Å; Y232-A234 PolarHBondContact O-N 3.17Å; A234-S238 PolarHBondContact O-N 3.41Å; A234-S238 PolarHBondContact O-OG 3.01Å; A234-S238 VanDerWaalsContact O-OG 3.08Å
235L94.8Very high91.9Very high0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-61.7-50.4175.8173.561.9000110.9F188 L193 I195 V215 L217 V231 Y232 W237 S238 L239 V251F188-L235 HydrophobicContact CD1-CD1 3.73Å; F188-L235 HydrophobicContact CD2-CD1 3.88Å; F188-L235 HydrophobicContact CD2-CD2 4.34Å; F188-L235 HydrophobicContact CE1-CD1 3.75Å; F188-L235 HydrophobicContact CE2-CD1 3.91Å; F188-L235 HydrophobicContact CG-CD1 3.79Å; F188-L235 HydrophobicContact CG-CD2 4.41Å; F188-L235 HydrophobicContact CZ-CD1 3.84Å; L193-L235 HydrophobicContact CD1-CB 4.12Å; L193-L235 HydrophobicContact CD1-CD1 4.01Å; L193-L235 HydrophobicContact CD1-CG 4.49Å; L193-L235 HydrophobicContact CD2-CB 3.97Å; I195-L235 HydrophobicContact CD1-CD1 4.17Å; V215-L235 HydrophobicContact CG1-CD2 3.91Å; L217-L235 HydrophobicContact CB-CD2 4.39Å; L217-L235 HydrophobicContact CD1-CD2 4.16Å; V231-L235 WeakPolarHBondContact O-CB 3.38Å; V231-L235 PolarHBondContact O-N 3.5Å; Y232-L235 PolarHBondContact O-N 3Å; L235-W237 VanDerWaalsContact C-N 3.32Å; L235-W237 PolarHBondContact O-N 3.3Å; L235-S238 PolarHBondContact O-N 3.4Å; L235-L239 HydrophobicContact CD1-CD1 3.76Å; L235-L239 HydrophobicContact CD1-CD2 4.5Å; L235-L239 HydrophobicContact CD1-CG 3.86Å; L235-L239 HydrophobicContact CG-CD1 3.95Å; L235-L239 HydrophobicContact CG-CG 4.38Å; L235-L239 WeakPolarHBondContact O-CB 3.38Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.07Å; L235-V251 HydrophobicContact CD2-CG1 4.39Å
236M93.4Very high91.4Very high43 Ų4369.8 Ų69.821%0.21236%0.362CS..Hα-helixtrans-61-41.8179.9-69-54.9-71.700112.1Y232 G240 V248 V251Y232-M236 HydrophobicContact CD1-CG 4.34Å; Y232-M236 HydrophobicContact CE1-CG 3.95Å; Y232-M236 HydrophobicContact CE2-CG 4.24Å; Y232-M236 HydrophobicContact CE2-SD 4.5Å; Y232-M236 WeakPolarHBondContact O-CG 3.34Å; Y232-M236 PolarHBondContact O-N 3.03Å; M236-G240 PolarHBondContact O-N 2.84Å; M236-V248 HydrophobicContact CE-CG1 3.22Å; M236-V251 HydrophobicContact SD-CG2 3.4Å; M236-V251 WeakPolarHBondContact SD-CG2 3.32Å
237W91.8Very high91Very high172 Ų17269.3 Ų69.365%0.65236%0.36SS*.Hα-helixtrans-60.6-44.9175.4177.9-100.6000112.5G233 L235 K241G233-W237 WeakPolarHBondContact O-CB 3.43Å; G233-W237 PolarHBondContact O-N 3.33Å; L235-W237 VanDerWaalsContact C-N 3.32Å; L235-W237 PolarHBondContact O-N 3.3Å; W237-K241 VanDerWaalsContact CE2-CE 3.43Å; W237-K241 VanDerWaalsContact NE1-CE 3.27Å; W237-K241 VanDerWaalsContact NE1-NZ 3.16Å; W237-K241 PolarHBondContact O-N 2.84Å
238S92Very high90.7Very high41 Ų4171 Ų7129%0.28738%0.375SS..Hα-helixtrans-69-44.5179.3-62.90000112A234 L235 G240 K241 I242A234-S238 PolarHBondContact O-N 3.41Å; A234-S238 PolarHBondContact O-OG 3.01Å; A234-S238 VanDerWaalsContact O-OG 3.08Å; L235-S238 PolarHBondContact O-N 3.4Å; S238-G240 VanDerWaalsContact C-N 3.35Å; S238-G240 PolarHBondContact O-N 3.3Å; S238-K241 PolarHBondContact O-N 2.93Å; S238-I242 VanDerWaalsContact O-CG1 3.3Å; S238-I242 WeakPolarHBondContact O-CG1 3.31Å; S238-I242 PolarHBondContact O-N 2.83Å
239L91.4Very high90.4Very high6 Ų671.9 Ų71.93%0.03138%0.381CS..Hα-helixtrans-61.8-41.8176.8-72.5179.1000112F188 I203 V215 L235 K241 I242 I243F188-L239 HydrophobicContact CE2-CD2 4.48Å; F188-L239 HydrophobicContact CZ-CD2 4.02Å; I203-L239 HydrophobicContact CD1-CD2 4.22Å; V215-L239 HydrophobicContact CB-CD1 4.48Å; V215-L239 HydrophobicContact CG1-CD1 4.11Å; V215-L239 HydrophobicContact CG2-CD1 3.72Å; L235-L239 HydrophobicContact CD1-CD1 3.76Å; L235-L239 HydrophobicContact CD1-CD2 4.5Å; L235-L239 HydrophobicContact CD1-CG 3.86Å; L235-L239 HydrophobicContact CG-CD1 3.95Å; L235-L239 HydrophobicContact CG-CG 4.38Å; L235-L239 WeakPolarHBondContact O-CB 3.38Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.07Å; L239-K241 VanDerWaalsContact C-N 3.26Å; L239-K241 PolarHBondContact O-N 3.11Å; L239-I242 PolarHBondContact O-N 2.99Å; L239-I243 HydrophobicContact CB-CD1 4.38Å; L239-I243 HydrophobicContact CD2-CD1 4.39Å; L239-I243 WeakPolarHBondContact O-CG1 3.3Å; L239-I243 PolarHBondContact O-N 3.13Å
240G89.4Confident90.3Very high45 Ų4572 Ų7246%0.46438%0.376SS..Hα-helixtrans-57.1-38.7176.900000112.8M236 S238 N244M236-G240 PolarHBondContact O-N 2.84Å; S238-G240 VanDerWaalsContact C-N 3.35Å; S238-G240 PolarHBondContact O-N 3.3Å; G240-N244 PolarHBondContact O-N 3.37Å
241K89Confident90.4Very high127 Ų12763 Ų6355%0.55234%0.343SS*.Hα-helixtrans-71.1-31.4175.6-70.1-179.5177.3-175.60113.9W237 S238 L239W237-K241 VanDerWaalsContact CE2-CE 3.43Å; W237-K241 VanDerWaalsContact NE1-CE 3.27Å; W237-K241 VanDerWaalsContact NE1-NZ 3.16Å; W237-K241 PolarHBondContact O-N 2.84Å; S238-K241 PolarHBondContact O-N 2.93Å; L239-K241 VanDerWaalsContact C-N 3.26Å; L239-K241 PolarHBondContact O-N 3.11Å
242I90.2Very high90.5Very high15 Ų1562.7 Ų62.78%0.07734%0.34CS..Hα-helixtrans-86.3-49.8-173.2-64.2165.8000110.7I195 S200 I203 R204 S238 L239I195-I242 HydrophobicContact CD1-CD1 4.49Å; I195-I242 HydrophobicContact CG2-CD1 3.85Å; S200-I242 WeakPolarHBondContact OG-CD1 3.5Å; I203-I242 HydrophobicContact CB-CG2 3.83Å; I203-I242 HydrophobicContact CG2-CG2 3.6Å; R204-I242 HydrophobicContact CG-CG2 3.97Å; R204-I242 PolarHBondContact NH1-O 3.13Å; S238-I242 VanDerWaalsContact O-CG1 3.3Å; S238-I242 WeakPolarHBondContact O-CG1 3.31Å; S238-I242 PolarHBondContact O-N 2.83Å; L239-I242 PolarHBondContact O-N 2.99Å
243I86.9Confident90.6Very high15 Ų1559.6 Ų59.68%0.07733%0.328CS..Hα-helixtrans-73.1-39-177.8-56.5179.1000110.1I203 E210 M213 L239 T245 V249I203-I243 HydrophobicContact CG2-CG1 3.86Å; E210-I243 HydrophobicContact CB-CG2 4.36Å; M213-I243 HydrophobicContact SD-CD1 4.35Å; L239-I243 HydrophobicContact CB-CD1 4.38Å; L239-I243 HydrophobicContact CD2-CD1 4.39Å; L239-I243 WeakPolarHBondContact O-CG1 3.3Å; L239-I243 PolarHBondContact O-N 3.13Å; I243-T245 VanDerWaalsContact C-N 3.28Å; I243-T245 HydrophobicContact CB-CG2 4.44Å; I243-T245 HydrophobicContact CG2-CG2 3.44Å; I243-T245 VanDerWaalsContact CG2-CG2 3.44Å; I243-T245 PolarHBondContact O-N 3.2Å; I243-V249 HydrophobicContact CD1-CG2 3.6Å
244N82.9Confident90.6Very high136 Ų13657.8 Ų57.873%0.72731%0.31SS*.  trans55.242.6175.2-170.960.6000113.2G240G240-N244 PolarHBondContact O-N 3.37Å
245T82.8Confident90.5Very high36 Ų3656.2 Ų56.222%0.22130%0.296CS..  trans-116.2145.5172.9-170.70000109E210 I243 E247E210-T245 WeakPolarHBondContact OE1-CB 3.12Å; E210-T245 PolarHBondContact OE1-OG1 2.81Å; E210-T245 WeakPolarHBondContact OE2-CB 3.42Å; I243-T245 VanDerWaalsContact C-N 3.28Å; I243-T245 HydrophobicContact CB-CG2 4.44Å; I243-T245 HydrophobicContact CG2-CG2 3.44Å; I243-T245 VanDerWaalsContact CG2-CG2 3.44Å; I243-T245 PolarHBondContact O-N 3.2Å; T245-E247 HydrophobicContact CG2-CB 4.37Å; T245-E247 VanDerWaalsContact CG2-O 3.27Å; T245-E247 WeakPolarHBondContact CG2-O 3.27Å; T245-E247 PolarHBondContact O-N 3.26Å
246P83Confident90.4Very high128 Ų12856.3 Ų56.383%0.83130%0.296SS*.SBendtrans-67-17.6175.627.8-35.8000112.8
247E84.3Confident90Very high140 Ų14058.1 Ų58.165%0.65430%0.301SS*.SBendtrans-81.2130179.6-61.9-173-179.300111.6T245T245-E247 HydrophobicContact CG2-CB 4.37Å; T245-E247 VanDerWaalsContact CG2-O 3.27Å; T245-E247 WeakPolarHBondContact CG2-O 3.27Å; T245-E247 PolarHBondContact O-N 3.26Å
248V86.6Confident89.3Confident119 Ų11954.4 Ų54.472%0.72131%0.307SS*.PPolyproline II helixtrans-84.4124.7-179.2-176.80000109.6M236M236-V248 HydrophobicContact CE-CG1 3.22Å
249V89.5Confident88.6Confident20 Ų2058.3 Ų58.312%0.12132%0.321CS..PPolyproline II helixtrans-71132.8176.6-174.80000110.4M213 V215 I243 V251M213-V249 HydrophobicContact CB-CG1 4.33Å; V215-V249 HydrophobicContact CB-CG1 4.49Å; V215-V249 HydrophobicContact CG2-CB 4.4Å; V215-V249 HydrophobicContact CG2-CG1 3.65Å; I243-V249 HydrophobicContact CD1-CG2 3.6Å; V249-V251 PolarHBondContact O-N 3.34Å
250R93.4Very high87.8Confident97 Ų9762.9 Ų62.937%0.36635%0.35SS..PPolyproline II helixtrans-65.1126.7174.1-179.464.2165.5134.6-9.7110.1V215 Y252 E273 D276V215-R250 PolarHBondContact N-O 3.45Å; R250-Y252 HydrophobicContact CG-CD2 4.48Å; R250-Y252 HydrophobicContact CG-CE1 4.01Å; R250-Y252 HydrophobicContact CG-CE2 3.92Å; R250-E273 IonicContact CZ-OE1 2.65Å; R250-E273 IonicContact CZ-OE2 3.78Å; R250-E273 IonicContact NH1-OE1 3.47Å; R250-E273 PolarHBondContact NH1-OE1 3.04Å; R250-E273 IonicContact NH1-OE2 3.76Å; R250-E273 PolarHBondContact NH1-OE2 2.9Å; R250-E273 VanDerWaalsContact NH2-CD 3.32Å; R250-E273 IonicContact NH2-OE1 3.85Å; R250-E273 PolarHBondContact NH2-OE1 3.15Å; R250-E273 IonicContact NH2-OE2 3.49Å; R250-E273 PolarHBondContact NH2-OE2 3.16Å; R250-D276 IonicContact NH2-OD2 3.4Å; R250-D276 PolarHBondContact NH2-OD2 3.43Å
251V96.7Very high87.5Confident2 Ų262.9 Ų62.91%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-106.5131.4172.3-178.40000108.6V215 L217 Y232 L235 M236 V249 I253V215-V251 HydrophobicContact CB-CB 4.38Å; V215-V251 HydrophobicContact CB-CG2 3.92Å; V215-V251 HydrophobicContact CG1-CB 4.43Å; V215-V251 HydrophobicContact CG1-CG1 4.09Å; V215-V251 HydrophobicContact CG1-CG2 3.94Å; V215-V251 CarbonylContact O-C 3.01Å; V215-V251 VanDerWaalsContact O-CA 3.28Å; V215-V251 WeakPolarHBondContact O-CA 3.5Å; L217-V251 HydrophobicContact CB-CG1 4.06Å; Y232-V251 HydrophobicContact CD2-CG1 4.21Å; Y232-V251 HydrophobicContact CE2-CB 3.81Å; Y232-V251 HydrophobicContact CE2-CG1 3.88Å; Y232-V251 HydrophobicContact CE2-CG2 4.1Å; L235-V251 HydrophobicContact CD2-CG1 4.39Å; M236-V251 HydrophobicContact SD-CG2 3.4Å; M236-V251 WeakPolarHBondContact SD-CG2 3.32Å; V249-V251 PolarHBondContact O-N 3.34Å; V251-I253 HydrophobicContact CG1-CG1 4.23Å
252Y97.9Very high87.2Confident13 Ų1362.4 Ų62.45%0.05134%0.342CS..EExtended strand (participates in β ladder)trans-103.6128.4170.6-55.5-84.9000109.6R214 V215 V216 L217 R250 E273 D276 L277R214-Y252 HydrophobicContact CB-CD2 4.37Å; R214-Y252 HydrophobicContact CB-CE2 3.85Å; R214-Y252 HydrophobicContact CG-CE2 3.92Å; V215-Y252 WeakPolarHBondContact O-CD2 3.35Å; V215-Y252 PolarHBondContact O-N 2.87Å; V216-Y252 CarbonylContact C-O 3.58Å; V216-Y252 WeakPolarHBondContact CA-O 3.28Å; V216-Y252 HydrophobicContact CG2-CD2 4.39Å; L217-Y252 PolarHBondContact N-O 2.9Å; R250-Y252 HydrophobicContact CG-CD2 4.48Å; R250-Y252 HydrophobicContact CG-CE1 4.01Å; R250-Y252 HydrophobicContact CG-CE2 3.92Å; Y252-E273 WeakPolarHBondContact CA-OE2 3.41Å; Y252-E273 VanDerWaalsContact CD1-O 3.32Å; Y252-E273 WeakPolarHBondContact CD1-O 3.39Å; Y252-D276 HydrophobicContact CD1-CB 4.19Å; Y252-D276 HydrophobicContact CE1-CB 3.78Å; Y252-L277 HydrophobicContact CD1-CB 3.75Å; Y252-L277 HydrophobicContact CD2-CB 4.26Å; Y252-L277 HydrophobicContact CD2-CD1 3.74Å; Y252-L277 HydrophobicContact CD2-CG 4.4Å; Y252-L277 HydrophobicContact CE1-CB 3.96Å; Y252-L277 HydrophobicContact CE2-CB 4.43Å; Y252-L277 HydrophobicContact CE2-CD1 3.64Å; Y252-L277 HydrophobicContact CG-CB 3.88Å; Y252-L277 HydrophobicContact CG-CD1 4.24Å; Y252-L277 HydrophobicContact CG-CG 4.43Å
253I97.3Very high86.9Confident13 Ų1363.6 Ų63.67%0.06735%0.351CS..EExtended strand (participates in β ladder)trans-110.9124.3-173.8-55.4174.8000108.7L217 A220 L228 Y232 V251 F270 E273L217-I253 HydrophobicContact CB-CG1 4.47Å; A220-I253 HydrophobicContact CB-CG2 3.62Å; L228-I253 HydrophobicContact CD1-CG2 3.82Å; L228-I253 HydrophobicContact CD2-CG2 4.03Å; L228-I253 HydrophobicContact CG-CG2 4.39Å; Y232-I253 HydrophobicContact CD2-CD1 3.72Å; Y232-I253 HydrophobicContact CD2-CG1 4.33Å; Y232-I253 HydrophobicContact CE2-CD1 4Å; Y232-I253 HydrophobicContact CG-CD1 4.46Å; V251-I253 HydrophobicContact CG1-CG1 4.23Å; I253-F270 HydrophobicContact CG2-CD1 4.23Å; I253-F270 HydrophobicContact CG2-CE1 3.98Å; I253-E273 WeakPolarHBondContact O-CB 3.37Å
254G94.8Very high86.6Confident1 Ų165.9 Ų65.91%0.0137%0.366CS..SBendtrans176.1-166.9178.600000113.8L217 N218 K219 A220L217-G254 PolarHBondContact O-N 2.98Å; L217-G254 VanDerWaalsContact O-N 3.14Å; N218-G254 CarbonylContact C-O 3.58Å; N218-G254 VanDerWaalsContact C-O 3.32Å; N218-G254 VanDerWaalsContact CA-O 3.28Å; N218-G254 WeakPolarHBondContact CA-O 3.34Å; K219-G254 PolarHBondContact N-O 3.4Å; A220-G254 PolarHBondContact N-O 2.91Å; A220-G254 VanDerWaalsContact N-O 3.17Å
255S92.9Very high86.6Confident11 Ų1165 Ų658%0.07736%0.361CS..  trans-132.598.2175.8-67.80000109K219 A220 D221 W257K219-S255 VanDerWaalsContact CA-OG 3.28Å; K219-S255 WeakPolarHBondContact CA-OG 3.37Å; A220-S255 PolarHBondContact N-OG 3.32Å; D221-S255 WeakPolarHBondContact CB-OG 3.09Å; D221-S255 PolarHBondContact N-OG 3.44Å; D221-S255 WeakPolarHBondContact OD1-CB 3.43Å; D221-S255 PolarHBondContact OD1-OG 2.86Å; S255-W257 VanDerWaalsContact C-N 3.33Å; S255-W257 PolarHBondContact O-N 3.45Å
256F92.1Very high86.8Confident2 Ų264.3 Ų64.31%0.00936%0.357CS..  trans-88.971-167.4-62.9-92.1000111F73 H76 V216 N218 E274 L277 F278F73-F256 HydrophobicContact CD2-CB 3.41Å; F73-F256 VanDerWaalsContact CD2-CB 3.41Å; F73-F256 AromaticContact CD2-CD1 3.99Å; F73-F256 HydrophobicContact CD2-CD1 3.99Å; F73-F256 HydrophobicContact CD2-CD2 4.22Å; F73-F256 AromaticContact CD2-CG 3.6Å; F73-F256 HydrophobicContact CD2-CG 3.6Å; F73-F256 HydrophobicContact CE2-CB 3.9Å; F73-F256 AromaticContact CE2-CD1 3.53Å; F73-F256 HydrophobicContact CE2-CD1 3.53Å; F73-F256 HydrophobicContact CE2-CD2 4.22Å; F73-F256 HydrophobicContact CE2-CE1 4.08Å; F73-F256 AromaticContact CE2-CG 3.6Å; F73-F256 HydrophobicContact CE2-CG 3.6Å; F73-F256 HydrophobicContact CG-CB 4.39Å; H76-F256 WeakPolarHBondContact CB-O 3.26Å; V216-F256 HydrophobicContact CG1-CD2 3.64Å; V216-F256 HydrophobicContact CG1-CE2 3.31Å; V216-F256 HydrophobicContact CG1-CZ 4.03Å; N218-F256 PolarHBondContact OD1-N 3.12Å; N218-F256 VanDerWaalsContact OD1-N 3.16Å; F256-E274 HydrophobicContact CD1-CG 4.24Å; F256-E274 HydrophobicContact CE1-CB 4.01Å; F256-E274 HydrophobicContact CE1-CG 3.99Å; F256-L277 HydrophobicContact CD1-CD2 4.27Å; F256-L277 HydrophobicContact CE1-CD2 3.52Å; F256-L277 HydrophobicContact CZ-CD2 3.81Å; F256-F278 HydrophobicContact CD1-CE1 4.16Å; F256-F278 HydrophobicContact CD1-CZ 4.42Å; F256-F278 HydrophobicContact CE1-CE1 4.31Å
257W85Confident86.7Confident81 Ų8162.3 Ų62.331%0.30733%0.333SS..SBendtrans-155.3164179.564.4-5.7000110.8T72 H76 S255 Q259T72-W257 HydrophobicContact CG2-CB 3.9Å; H76-W257 WeakPolarHBondContact ND1-CA 3.47Å; S255-W257 VanDerWaalsContact C-N 3.33Å; S255-W257 PolarHBondContact O-N 3.45Å; W257-Q259 VanDerWaalsContact C-N 3.26Å; W257-Q259 HydrophobicContact CD2-CB 3.86Å; W257-Q259 HydrophobicContact CD2-CG 4.2Å; W257-Q259 HydrophobicContact CE3-CB 4.25Å; W257-Q259 HydrophobicContact CE3-CG 4.15Å; W257-Q259 HydrophobicContact CG-CB 4.22Å; W257-Q259 HydrophobicContact CH2-CB 4.48Å; W257-Q259 HydrophobicContact CZ2-CB 4.11Å; W257-Q259 HydrophobicContact CZ3-CG 4.47Å; W257-Q259 PolarHBondContact O-N 2.89Å
258A76.7Confident86.5Confident95 Ų9561.5 Ų61.579%0.78533%0.327SS*.SBendtrans-83.47.9-179.100000114.6
259Q78.7Confident86.6Confident123 Ų12358.7 Ų58.758%0.57531%0.308SS*.SBendtrans-89.6151.7-177-65.4-66.9-32.600111.4W257W257-Q259 VanDerWaalsContact C-N 3.26Å; W257-Q259 HydrophobicContact CD2-CB 3.86Å; W257-Q259 HydrophobicContact CD2-CG 4.2Å; W257-Q259 HydrophobicContact CE3-CB 4.25Å; W257-Q259 HydrophobicContact CE3-CG 4.15Å; W257-Q259 HydrophobicContact CG-CB 4.22Å; W257-Q259 HydrophobicContact CH2-CB 4.48Å; W257-Q259 HydrophobicContact CZ2-CB 4.11Å; W257-Q259 HydrophobicContact CZ3-CG 4.47Å; W257-Q259 PolarHBondContact O-N 2.89Å
260P74.5Confident86.6Confident101 Ų10158.1 Ų58.166%0.65630%0.303SS*.PPolyproline II helixtrans-56.7145.6174.3-23.733.8000112.7
261L82.1Confident86.2Confident46 Ų4657.9 Ų57.924%0.24131%0.306CS..PPolyproline II helixtrans-65.7134176-57.4178.3000110.8D221 R267 F270D221-L261 HydrophobicContact CB-CB 4.13Å; D221-L261 HydrophobicContact CB-CD2 3.75Å; D221-L261 HydrophobicContact CB-CG 4.5Å; D221-L261 WeakPolarHBondContact OD2-CA 3.46Å; L261-R267 HydrophobicContact CD1-CB 3.76Å; L261-R267 HydrophobicContact CD1-CG 3.85Å; L261-F270 HydrophobicContact CD1-CD2 4.08Å; L261-F270 HydrophobicContact CD2-CD2 4.16Å
262L83.1Confident85.6Confident116 Ų11659.9 Ų59.961%0.60732%0.323SS*.SBendtrans-71.2-48173.9-61.1-174.9000111.7D221 Q222D221-L262 PolarHBondContact OD2-N 3.27Å; Q222-L262 HydrophobicContact CB-CD1 4.46Å; Q222-L262 HydrophobicContact CG-CD1 3.95Å
263V83.7Confident85.4Confident41 Ų4160.2 Ų60.225%0.24833%0.325CS..SBendtrans-117.3105.1174.4-176.50000108.7D221 D265D221-V263 VanDerWaalsContact O-CB 3.22Å; D221-V263 WeakPolarHBondContact O-CB 3.45Å; D221-V263 WeakPolarHBondContact O-CG2 2.9Å; D221-V263 PolarHBondContact O-N 3.36Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 HydrophobicContact CG1-CB 4.11Å; V263-D265 PolarHBondContact O-N 3.07Å
264P81Confident85Confident63 Ų6361.7 Ų61.741%0.40933%0.332SS..G310 helixtrans-82.6-2.1-173.333.5-36000114.2N266 R267P264-N266 PolarHBondContact O-N 3Å; P264-R267 VanDerWaalsContact O-CB 3.28Å; P264-R267 WeakPolarHBondContact O-CB 3.39Å; P264-R267 PolarHBondContact O-N 2.94Å
265D83.1Confident84.7Confident116 Ų11663.1 Ų63.162%0.6234%0.338SS*.G310 helixtrans-49.3-33.9-174.1-63.34.2000114.1V263V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 HydrophobicContact CG1-CB 4.11Å; V263-D265 PolarHBondContact O-N 3.07Å
266N85.4Confident84.6Confident23 Ų2365.8 Ų65.812%0.12335%0.352CS..G310 helixtrans-110.820.7-178.2-53.8-70000113.1T225 P264 K268 L269 F270T225-N266 WeakPolarHBondContact CG2-OD1 3.29Å; T225-N266 PolarHBondContact OG1-ND2 3.31Å; T225-N266 PolarHBondContact OG1-OD1 3.25Å; T225-N266 VanDerWaalsContact OG1-OD1 3.07Å; P264-N266 PolarHBondContact O-N 3Å; N266-K268 VanDerWaalsContact C-N 3.29Å; N266-K268 PolarHBondContact O-N 3.35Å; N266-L269 HydrophobicContact CB-CB 4.38Å; N266-L269 WeakPolarHBondContact O-CB 3.46Å; N266-L269 PolarHBondContact O-N 2.9Å; N266-F270 HydrophobicContact CB-CD1 4.3Å; N266-F270 HydrophobicContact CB-CE1 3.72Å; N266-F270 HydrophobicContact CB-CE2 4.08Å; N266-F270 HydrophobicContact CB-CZ 3.62Å; N266-F270 WeakPolarHBondContact O-CG 3.46Å; N266-F270 PolarHBondContact O-N 2.95Å
267R82.4Confident84.6Confident86 Ų8665.7 Ų65.733%0.32535%0.351SS..Hα-helixtrans-46.7-49.6-177.6177.3-178.5-67.8170.3-2.8112.7L261 P264 L269 F270 E271 D434L261-R267 HydrophobicContact CD1-CB 3.76Å; L261-R267 HydrophobicContact CD1-CG 3.85Å; P264-R267 VanDerWaalsContact O-CB 3.28Å; P264-R267 WeakPolarHBondContact O-CB 3.39Å; P264-R267 PolarHBondContact O-N 2.94Å; R267-L269 VanDerWaalsContact C-N 3.3Å; R267-L269 PolarHBondContact O-N 3.36Å; R267-F270 WeakPolarHBondContact O-CB 3.48Å; R267-F270 PolarHBondContact O-N 3.11Å; R267-E271 WeakPolarHBondContact CD-OE1 3.47Å; R267-E271 HydrophobicContact CG-CG 4.34Å; R267-E271 WeakPolarHBondContact CG-OE1 3.26Å; R267-E271 WeakPolarHBondContact O-CG 3.44Å; R267-E271 PolarHBondContact O-N 3.05Å; R267-D434 IonicContact NH1-OD2 2.62Å; R267-D434 PolarHBondContact NH1-OD2 3.32Å
268K80.4Confident85Confident123 Ų12361.9 Ų61.954%0.53534%0.337SS..Hα-helixtrans-58.7-40.3-179.7-62.1-178.6-176.81800112.8N266 A272 E427N266-K268 VanDerWaalsContact C-N 3.29Å; N266-K268 PolarHBondContact O-N 3.35Å; K268-A272 VanDerWaalsContact O-CB 3.29Å; K268-A272 WeakPolarHBondContact O-CB 3.47Å; K268-A272 PolarHBondContact O-N 3.41Å; K268-A272 VanDerWaalsContact O-N 3.08Å; K268-E427 VanDerWaalsContact CD-OE1 3.28Å; K268-E427 WeakPolarHBondContact CD-OE1 3.35Å; K268-E427 WeakPolarHBondContact CE-OE1 3.39Å; K268-E427 IonicContact NZ-OE1 3.4Å; K268-E427 PolarHBondContact NZ-OE1 3.44Å
269L88.4Confident85.5Confident60 Ų6060.3 Ų60.331%0.31432%0.315SS..Hα-helixtrans-65.7-44.7175.817566.2000110.5N266 R267 A272 E273N266-L269 HydrophobicContact CB-CB 4.38Å; N266-L269 WeakPolarHBondContact O-CB 3.46Å; N266-L269 PolarHBondContact O-N 2.9Å; R267-L269 VanDerWaalsContact C-N 3.3Å; R267-L269 PolarHBondContact O-N 3.36Å; L269-A272 PolarHBondContact O-N 3.4Å; L269-E273 HydrophobicContact CD1-CG 3.87Å; L269-E273 HydrophobicContact CG-CG 4.34Å; L269-E273 WeakPolarHBondContact O-CB 3.32Å; L269-E273 VanDerWaalsContact O-CG 3.26Å; L269-E273 WeakPolarHBondContact O-CG 3.4Å; L269-E273 PolarHBondContact O-N 2.87Å
270F89.7Confident86.1Confident8 Ų855.4 Ų55.44%0.03529%0.293CS..Hα-helixtrans-62.5-45.7-179.3-56.8-24.4000111.9A220 D221 L228 I253 L261 N266 R267 E273 E274A220-F270 HydrophobicContact CB-CD1 4.28Å; A220-F270 HydrophobicContact CB-CE1 3.52Å; A220-F270 HydrophobicContact CB-CZ 3.73Å; D221-F270 HydrophobicContact CB-CE2 3.88Å; L228-F270 HydrophobicContact CD2-CE1 4.07Å; L228-F270 HydrophobicContact CD2-CZ 4.49Å; I253-F270 HydrophobicContact CG2-CD1 4.23Å; I253-F270 HydrophobicContact CG2-CE1 3.98Å; L261-F270 HydrophobicContact CD1-CD2 4.08Å; L261-F270 HydrophobicContact CD2-CD2 4.16Å; N266-F270 HydrophobicContact CB-CD1 4.3Å; N266-F270 HydrophobicContact CB-CE1 3.72Å; N266-F270 HydrophobicContact CB-CE2 4.08Å; N266-F270 HydrophobicContact CB-CZ 3.62Å; N266-F270 WeakPolarHBondContact O-CG 3.46Å; N266-F270 PolarHBondContact O-N 2.95Å; R267-F270 WeakPolarHBondContact O-CB 3.48Å; R267-F270 PolarHBondContact O-N 3.11Å; F270-E273 PolarHBondContact O-N 3.09Å; F270-E274 VanDerWaalsContact O-CB 3.24Å; F270-E274 WeakPolarHBondContact O-CB 3.22Å; F270-E274 PolarHBondContact O-N 3.18Å
271E83.8Confident87Confident91 Ų9150.7 Ų50.743%0.42526%0.262SS..Hα-helixtrans-64.6-41.9178.2-70.3170.2-17700111.9R267 E274 Q275R267-E271 WeakPolarHBondContact CD-OE1 3.47Å; R267-E271 HydrophobicContact CG-CG 4.34Å; R267-E271 WeakPolarHBondContact CG-OE1 3.26Å; R267-E271 WeakPolarHBondContact O-CG 3.44Å; R267-E271 PolarHBondContact O-N 3.05Å; E271-E274 PolarHBondContact O-N 3.27Å; E271-Q275 WeakPolarHBondContact O-CB 3.28Å; E271-Q275 PolarHBondContact O-N 3.01Å
272A84.4Confident87.4Confident44 Ų4448.7 Ų48.736%0.36425%0.251SS..Hα-helixtrans-65.1-44.8177.300000112.2K268 L269 E274 Q275 D276K268-A272 VanDerWaalsContact O-CB 3.29Å; K268-A272 WeakPolarHBondContact O-CB 3.47Å; K268-A272 PolarHBondContact O-N 3.41Å; K268-A272 VanDerWaalsContact O-N 3.08Å; L269-A272 PolarHBondContact O-N 3.4Å; A272-E274 VanDerWaalsContact C-N 3.34Å; A272-Q275 PolarHBondContact O-N 3.36Å; A272-D276 PolarHBondContact O-N 2.85Å
273E93.9Very high87.6Confident21 Ų2144.5 Ų44.510%0.09823%0.231CC..Hα-helixtrans-69.3-33.1178.1-69.3-71144.800112.1R250 Y252 I253 L269 F270 L277R250-E273 IonicContact CZ-OE1 2.65Å; R250-E273 IonicContact CZ-OE2 3.78Å; R250-E273 IonicContact NH1-OE1 3.47Å; R250-E273 PolarHBondContact NH1-OE1 3.04Å; R250-E273 IonicContact NH1-OE2 3.76Å; R250-E273 PolarHBondContact NH1-OE2 2.9Å; R250-E273 VanDerWaalsContact NH2-CD 3.32Å; R250-E273 IonicContact NH2-OE1 3.85Å; R250-E273 PolarHBondContact NH2-OE1 3.15Å; R250-E273 IonicContact NH2-OE2 3.49Å; R250-E273 PolarHBondContact NH2-OE2 3.16Å; Y252-E273 WeakPolarHBondContact CA-OE2 3.41Å; Y252-E273 VanDerWaalsContact CD1-O 3.32Å; Y252-E273 WeakPolarHBondContact CD1-O 3.39Å; I253-E273 WeakPolarHBondContact O-CB 3.37Å; L269-E273 HydrophobicContact CD1-CG 3.87Å; L269-E273 HydrophobicContact CG-CG 4.34Å; L269-E273 WeakPolarHBondContact O-CB 3.32Å; L269-E273 VanDerWaalsContact O-CG 3.26Å; L269-E273 WeakPolarHBondContact O-CG 3.4Å; L269-E273 PolarHBondContact O-N 2.87Å; F270-E273 PolarHBondContact O-N 3.09Å; E273-L277 WeakPolarHBondContact O-CB 3.46Å; E273-L277 PolarHBondContact O-N 3.39Å
274E89.9Confident88Confident44 Ų4442.5 Ų42.521%0.20622%0.22CC..Hα-helixtrans-63.4-47.3171.6179.3173.6-16600111.5H76 F256 F270 E271 A272 D276 L277 F278H76-E274 IonicContact CD2-OE1 3.83Å; H76-E274 IonicContact CE1-OE1 2.89Å; H76-E274 IonicContact NE2-OE1 2.91Å; H76-E274 PolarHBondContact NE2-OE1 2.68Å; F256-E274 HydrophobicContact CD1-CG 4.24Å; F256-E274 HydrophobicContact CE1-CB 4.01Å; F256-E274 HydrophobicContact CE1-CG 3.99Å; F270-E274 VanDerWaalsContact O-CB 3.24Å; F270-E274 WeakPolarHBondContact O-CB 3.22Å; F270-E274 PolarHBondContact O-N 3.18Å; E271-E274 PolarHBondContact O-N 3.27Å; A272-E274 VanDerWaalsContact C-N 3.34Å; E274-D276 PolarHBondContact O-N 3.28Å; E274-L277 PolarHBondContact O-N 2.92Å; E274-F278 HydrophobicContact CG-CD1 4.36Å; E274-F278 HydrophobicContact CG-CD2 4.1Å; E274-F278 HydrophobicContact CG-CE1 3.87Å; E274-F278 HydrophobicContact CG-CE2 3.56Å; E274-F278 HydrophobicContact CG-CG 4.45Å; E274-F278 HydrophobicContact CG-CZ 3.44Å; E274-F278 VanDerWaalsContact CG-CZ 3.44Å; E274-F278 WeakPolarHBondContact O-CB 3.36Å; E274-F278 WeakPolarHBondContact O-CD1 3.4Å; E274-F278 VanDerWaalsContact O-CG 3.32Å; E274-F278 WeakPolarHBondContact O-CG 3.49Å; E274-F278 PolarHBondContact O-N 3.2Å; E274-F278 VanDerWaalsContact OE1-CE2 3.25Å; E274-F278 WeakPolarHBondContact OE1-CE2 3.31Å; E274-F278 WeakPolarHBondContact OE1-CZ 3.37Å
275Q86.9Confident88.4Confident30 Ų3040.6 Ų40.614%0.1421%0.207CC..Hα-helixtrans-60-45.9176.3-170.7-17218.800111.6E271 A272 L277 F278 L279 T416 H423E271-Q275 WeakPolarHBondContact O-CB 3.28Å; E271-Q275 PolarHBondContact O-N 3.01Å; A272-Q275 PolarHBondContact O-N 3.36Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.11Å; Q275-F278 PolarHBondContact O-N 3.42Å; Q275-L279 HydrophobicContact CG-CD1 4.22Å; Q275-L279 WeakPolarHBondContact O-CB 3.49Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 3.09Å; Q275-T416 PolarHBondContact NE2-O 3.38Å; Q275-H423 PolarHBondContact NE2-CE1 3.12Å; Q275-H423 PolarHBondContact NE2-NE2 3.09Å; Q275-H423 PolarHBondContact OE1-CE1 2.61Å
276D90.5Very high88.4Confident68 Ų6839.1 Ų39.136%0.36419%0.193SC..Hα-helixtrans-58.8-42.3176.7-83.7-2.6000111.8R250 Y252 A272 E274 D280R250-D276 IonicContact NH2-OD2 3.4Å; R250-D276 PolarHBondContact NH2-OD2 3.43Å; Y252-D276 HydrophobicContact CD1-CB 4.19Å; Y252-D276 HydrophobicContact CE1-CB 3.78Å; A272-D276 PolarHBondContact O-N 2.85Å; E274-D276 PolarHBondContact O-N 3.28Å; D276-D280 PolarHBondContact O-N 3.11Å; D276-D280 VanDerWaalsContact O-N 3.08Å
277L93.8Very high88.4Confident0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-65-43.1176.5178.258.8000111.2F73 V216 Y252 F256 E273 E274 Q275 D280 I281F73-L277 HydrophobicContact CE2-CD2 3.72Å; F73-L277 HydrophobicContact CZ-CD2 3.65Å; V216-L277 HydrophobicContact CG2-CD2 3.75Å; Y252-L277 HydrophobicContact CD1-CB 3.75Å; Y252-L277 HydrophobicContact CD2-CB 4.26Å; Y252-L277 HydrophobicContact CD2-CD1 3.74Å; Y252-L277 HydrophobicContact CD2-CG 4.4Å; Y252-L277 HydrophobicContact CE1-CB 3.96Å; Y252-L277 HydrophobicContact CE2-CB 4.43Å; Y252-L277 HydrophobicContact CE2-CD1 3.64Å; Y252-L277 HydrophobicContact CG-CB 3.88Å; Y252-L277 HydrophobicContact CG-CD1 4.24Å; Y252-L277 HydrophobicContact CG-CG 4.43Å; F256-L277 HydrophobicContact CD1-CD2 4.27Å; F256-L277 HydrophobicContact CE1-CD2 3.52Å; F256-L277 HydrophobicContact CZ-CD2 3.81Å; E273-L277 WeakPolarHBondContact O-CB 3.46Å; E273-L277 PolarHBondContact O-N 3.39Å; E274-L277 PolarHBondContact O-N 2.92Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.11Å; L277-D280 PolarHBondContact O-N 3.48Å; L277-I281 HydrophobicContact CD1-CD1 4.15Å; L277-I281 HydrophobicContact CD1-CG1 4.42Å; L277-I281 HydrophobicContact CG-CD1 4.1Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 3.1Å
278F91.6Very high88.7Confident1 Ų136.8 Ų36.80%0.00419%0.188CC..Hα-helixtrans-69.1-36.8-177.9-71.37.3000111.2H76 L77 F256 E274 Q275 I281 Q282 A412 F413 T416H76-F278 AromaticContact CD2-CZ 3.89Å; H76-F278 AromaticContact NE2-CZ 3.95Å; L77-F278 HydrophobicContact CD2-CD1 3.73Å; L77-F278 HydrophobicContact CD2-CE1 3.26Å; L77-F278 HydrophobicContact CD2-CE2 4.46Å; L77-F278 HydrophobicContact CD2-CZ 3.7Å; F256-F278 HydrophobicContact CD1-CE1 4.16Å; F256-F278 HydrophobicContact CD1-CZ 4.42Å; F256-F278 HydrophobicContact CE1-CE1 4.31Å; E274-F278 HydrophobicContact CG-CD1 4.36Å; E274-F278 HydrophobicContact CG-CD2 4.1Å; E274-F278 HydrophobicContact CG-CE1 3.87Å; E274-F278 HydrophobicContact CG-CE2 3.56Å; E274-F278 HydrophobicContact CG-CG 4.45Å; E274-F278 HydrophobicContact CG-CZ 3.44Å; E274-F278 VanDerWaalsContact CG-CZ 3.44Å; E274-F278 WeakPolarHBondContact O-CB 3.36Å; E274-F278 WeakPolarHBondContact O-CD1 3.4Å; E274-F278 VanDerWaalsContact O-CG 3.32Å; E274-F278 WeakPolarHBondContact O-CG 3.49Å; E274-F278 PolarHBondContact O-N 3.2Å; E274-F278 VanDerWaalsContact OE1-CE2 3.25Å; E274-F278 WeakPolarHBondContact OE1-CE2 3.31Å; E274-F278 WeakPolarHBondContact OE1-CZ 3.37Å; Q275-F278 PolarHBondContact O-N 3.42Å; F278-I281 PolarHBondContact O-N 3.03Å; F278-Q282 WeakPolarHBondContact O-CB 3.45Å; F278-Q282 VanDerWaalsContact O-CG 3.29Å; F278-Q282 WeakPolarHBondContact O-CG 3.44Å; F278-Q282 PolarHBondContact O-N 2.73Å; F278-A412 HydrophobicContact CD2-CB 4.32Å; F278-A412 HydrophobicContact CE2-CB 3.55Å; F278-A412 HydrophobicContact CZ-CB 4.09Å; F278-F413 HydrophobicContact CB-CD1 3.82Å; F278-F413 HydrophobicContact CB-CE1 3.79Å; F278-F413 HydrophobicContact CD1-CE1 4.34Å; F278-F413 HydrophobicContact CD2-CD1 4.37Å; F278-F413 HydrophobicContact CG-CD1 4.14Å; F278-F413 AromaticContact CG-CE1 3.97Å; F278-F413 HydrophobicContact CG-CE1 3.97Å; F278-T416 HydrophobicContact CB-CG2 3.99Å; F278-T416 HydrophobicContact CD2-CG2 3.47Å; F278-T416 VanDerWaalsContact CD2-CG2 3.47Å; F278-T416 HydrophobicContact CE2-CG2 4.38Å; F278-T416 HydrophobicContact CG-CG2 4.22Å
279L88.9Confident89Confident61 Ų6131.6 Ų31.632%0.31917%0.168SC..Hα-helixtrans-62.1-41.4170.9-73.1171.6000112Q275 I281 Q282 S283 M417Q275-L279 HydrophobicContact CG-CD1 4.22Å; Q275-L279 WeakPolarHBondContact O-CB 3.49Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 3.09Å; L279-I281 VanDerWaalsContact C-N 3.34Å; L279-I281 PolarHBondContact O-N 3.33Å; L279-Q282 PolarHBondContact O-N 3.42Å; L279-S283 PolarHBondContact O-N 3.49Å; L279-S283 VanDerWaalsContact O-N 3.09Å; L279-M417 HydrophobicContact CD2-SD 4.23Å
280D91.4Very high88.9Confident21 Ų2131 Ų3111%0.11217%0.165CC..Hα-helixtrans-61.1-43.6174.8-173.126.1000111.2R183 R214 D276 L277 S283R183-D280 IonicContact CZ-OD1 2.75Å; R183-D280 IonicContact CZ-OD2 3.07Å; R183-D280 IonicContact NE-OD1 3.78Å; R183-D280 IonicContact NE-OD2 2.83Å; R183-D280 PolarHBondContact NE-OD2 3.25Å; R183-D280 IonicContact NH2-OD1 2.66Å; R183-D280 PolarHBondContact NH2-OD1 3.48Å; R183-D280 IonicContact NH2-OD2 2.69Å; R214-D280 IonicContact CZ-OD2 2.6Å; R214-D280 IonicContact NE-OD2 2.64Å; R214-D280 PolarHBondContact NE-OD2 3.46Å; R214-D280 IonicContact NH2-OD1 2.63Å; R214-D280 IonicContact NH2-OD2 3.54Å; D276-D280 PolarHBondContact O-N 3.11Å; D276-D280 VanDerWaalsContact O-N 3.08Å; L277-D280 PolarHBondContact O-N 3.48Å; D280-S283 PolarHBondContact O-N 2.75Å; D280-S283 PolarHBondContact O-OG 2.9Å
281I92.4Very high88.9Confident1 Ų132.1 Ų32.11%0.00517%0.169CC..Hα-helixtrans-68.4-41.6177.6-63.2169.3000111.7L77 I148 I185 L277 F278 L279 S283 L284 F413L77-I281 HydrophobicContact CD1-CD1 4.21Å; L77-I281 HydrophobicContact CD2-CD1 4.41Å; I148-I281 HydrophobicContact CD1-CG2 3.79Å; I185-I281 HydrophobicContact CD1-CD1 4.06Å; L277-I281 HydrophobicContact CD1-CD1 4.15Å; L277-I281 HydrophobicContact CD1-CG1 4.42Å; L277-I281 HydrophobicContact CG-CD1 4.1Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 3.1Å; F278-I281 PolarHBondContact O-N 3.03Å; L279-I281 VanDerWaalsContact C-N 3.34Å; L279-I281 PolarHBondContact O-N 3.33Å; I281-S283 PolarHBondContact O-N 3.14Å; I281-L284 HydrophobicContact CG2-CD1 4.19Å; I281-L284 WeakPolarHBondContact O-CB 3.29Å; I281-L284 WeakPolarHBondContact O-CG 3.26Å; I281-L284 PolarHBondContact O-N 3.2Å; I281-L284 VanDerWaalsContact O-N 3.08Å; I281-F413 HydrophobicContact CB-CE1 4.07Å; I281-F413 HydrophobicContact CB-CZ 4.22Å; I281-F413 HydrophobicContact CG2-CE1 4.02Å; I281-F413 HydrophobicContact CG2-CZ 3.7Å
282Q89.6Confident89.1Confident5 Ų529.4 Ų29.42%0.02316%0.156CC..Hα-helixtrans-62-26.5176.9-79.4-179.3-3600113.1F278 L279 L284 T407 V408 F413F278-Q282 WeakPolarHBondContact O-CB 3.45Å; F278-Q282 VanDerWaalsContact O-CG 3.29Å; F278-Q282 WeakPolarHBondContact O-CG 3.44Å; F278-Q282 PolarHBondContact O-N 2.73Å; L279-Q282 PolarHBondContact O-N 3.42Å; Q282-L284 VanDerWaalsContact C-N 3.3Å; Q282-T407 PolarHBondContact O-OG1 3.38Å; Q282-T407 VanDerWaalsContact O-OG1 3.08Å; Q282-V408 HydrophobicContact CG-CB 4.1Å; Q282-F413 HydrophobicContact CG-CB 4.41Å; Q282-F413 HydrophobicContact CG-CD1 3.46Å; Q282-F413 VanDerWaalsContact CG-CD1 3.46Å; Q282-F413 HydrophobicContact CG-CE1 3.99Å; Q282-F413 HydrophobicContact CG-CG 4.15Å; Q282-F413 PolarHBondContact NE2-O 3.47Å
283S88.8Confident89.4Confident27 Ų2727.3 Ų27.319%0.18914%0.139CC..THydrogen-bonded Turntrans-77-13.2177.684.40000113.7L279 D280 I281 R286 N287L279-S283 PolarHBondContact O-N 3.49Å; L279-S283 VanDerWaalsContact O-N 3.09Å; D280-S283 PolarHBondContact O-N 2.75Å; D280-S283 PolarHBondContact O-OG 2.9Å; I281-S283 PolarHBondContact O-N 3.14Å; S283-R286 PolarHBondContact O-N 3.46Å; S283-N287 PolarHBondContact O-N 2.87Å; S283-N287 VanDerWaalsContact O-N 3.13Å; S283-N287 PolarHBondContact O-ND2 3.29Å; S283-N287 PolarHBondContact OG-ND2 2.92Å
284L91.6Very high89.2Confident0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-58.9-49.7-171-63.9177.3000113.5P58 V60 I148 D182 R183 I281 Q282 R286 N287 A288 R291P58-L284 HydrophobicContact CB-CB 4.02Å; P58-L284 HydrophobicContact CG-CB 4.42Å; V60-L284 HydrophobicContact CG2-CD1 3.39Å; I148-L284 HydrophobicContact CG2-CB 4.41Å; D182-L284 HydrophobicContact CB-CD2 4.23Å; R183-L284 HydrophobicContact CB-CD1 4.08Å; R183-L284 HydrophobicContact CB-CD2 4.09Å; I281-L284 HydrophobicContact CG2-CD1 4.19Å; I281-L284 WeakPolarHBondContact O-CB 3.29Å; I281-L284 WeakPolarHBondContact O-CG 3.26Å; I281-L284 PolarHBondContact O-N 3.2Å; I281-L284 VanDerWaalsContact O-N 3.08Å; Q282-L284 VanDerWaalsContact C-N 3.3Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.48Å; L284-N287 CarbonylContact O-C 3.29Å; L284-N287 PolarHBondContact O-N 3.25Å; L284-A288 PolarHBondContact O-N 3.46Å; L284-R291 PolarHBondContact O-NH1 3Å
285P88.6Confident89.2Confident23 Ų2329.4 Ų29.415%0.14915%0.152CC..Hα-helixtrans-63.5-38.9-178.2-19.732.2000113.1P58 I148 N287 A288 T407 V408P58-P285 HydrophobicContact CG-CB 4.22Å; P58-P285 HydrophobicContact CG-CG 4.27Å; I148-P285 HydrophobicContact CG2-CG 3.98Å; P285-N287 VanDerWaalsContact C-N 3.33Å; P285-N287 PolarHBondContact O-N 3.48Å; P285-A288 VanDerWaalsContact O-CB 3.31Å; P285-A288 WeakPolarHBondContact O-CB 3.49Å; P285-A288 PolarHBondContact O-N 2.99Å; P285-T407 VanDerWaalsContact CB-OG1 3.3Å; P285-T407 WeakPolarHBondContact CB-OG1 3.37Å; P285-T407 VanDerWaalsContact CD-OG1 3.26Å; P285-T407 WeakPolarHBondContact CD-OG1 3.49Å; P285-T407 WeakPolarHBondContact CG-OG1 3.26Å; P285-V408 HydrophobicContact CG-CG2 3.86Å
286R84.4Confident89.4Confident85 Ų8528.2 Ų28.232%0.32115%0.147SC..Hα-helixtrans-60.4-44.3176-174.1177.1-176.9-159-1.2111.6S283 L284 A288 E400 M403S283-R286 PolarHBondContact O-N 3.46Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.48Å; R286-A288 VanDerWaalsContact C-N 3.34Å; R286-A288 PolarHBondContact O-N 3.38Å; R286-E400 HydrophobicContact CG-CG 4.38Å; R286-E400 PolarHBondContact NE-O 2.78Å; R286-E400 PolarHBondContact NH2-O 2.91Å; R286-E400 VanDerWaalsContact NH2-O 3.12Å; R286-E400 WeakPolarHBondContact O-CG 3.08Å; R286-M403 HydrophobicContact CG-CB 4.46Å
287N85.7Confident89.5Confident48 Ų4826 Ų2626%0.25714%0.135SC..Hα-helixtrans-87.70.6-176.2-63.7-25.5000113.6S283 L284 P285 A289 L290 R291S283-N287 PolarHBondContact O-N 2.87Å; S283-N287 VanDerWaalsContact O-N 3.13Å; S283-N287 PolarHBondContact O-ND2 3.29Å; S283-N287 PolarHBondContact OG-ND2 2.92Å; L284-N287 CarbonylContact O-C 3.29Å; L284-N287 PolarHBondContact O-N 3.25Å; P285-N287 VanDerWaalsContact C-N 3.33Å; P285-N287 PolarHBondContact O-N 3.48Å; N287-A289 PolarHBondContact O-N 3.13Å; N287-L290 PolarHBondContact O-N 3.49Å; N287-R291 WeakPolarHBondContact O-CG 3.44Å; N287-R291 PolarHBondContact O-N 2.98Å
288A87.3Confident89.3Confident11 Ų1130.1 Ų30.19%0.09115%0.152CC..Hα-helixtrans-62.5-42.5-171.700000112.5P58 L284 P285 R286 L290 R291 K292P58-A288 HydrophobicContact CG-CB 3.84Å; L284-A288 PolarHBondContact O-N 3.46Å; P285-A288 VanDerWaalsContact O-CB 3.31Å; P285-A288 WeakPolarHBondContact O-CB 3.49Å; P285-A288 PolarHBondContact O-N 2.99Å; R286-A288 VanDerWaalsContact C-N 3.34Å; R286-A288 PolarHBondContact O-N 3.38Å; A288-L290 PolarHBondContact O-N 2.88Å; A288-R291 PolarHBondContact O-N 3.29Å; A288-K292 WeakPolarHBondContact O-CG 3.29Å; A288-K292 PolarHBondContact O-N 3.07Å
289A86.6Confident89.4Confident14 Ų1431.3 Ų31.312%0.11616%0.157CC..Hα-helixtrans-62-44.5179.100000111.6V20 N287 K292 L293 V396V20-A289 HydrophobicContact CB-CB 4.23Å; V20-A289 HydrophobicContact CG1-CB 3.96Å; N287-A289 PolarHBondContact O-N 3.13Å; A289-K292 PolarHBondContact O-N 2.87Å; A289-L293 WeakPolarHBondContact O-CB 3.48Å; A289-L293 PolarHBondContact O-N 3.27Å; A289-V396 HydrophobicContact CB-CG1 4.49Å; A289-V396 HydrophobicContact CB-CG2 4.2Å
290L87.9Confident89.7Confident47 Ų4728.4 Ų28.425%0.24614%0.142CC..Hα-helixtrans-63.4-41.9176-175.961.2000112N287 A288 L293 N294 M393 V396 E400N287-L290 PolarHBondContact O-N 3.49Å; A288-L290 PolarHBondContact O-N 2.88Å; L290-L293 WeakPolarHBondContact O-CB 3.35Å; L290-L293 PolarHBondContact O-N 2.97Å; L290-N294 VanDerWaalsContact O-CG 3.31Å; L290-N294 PolarHBondContact O-N 3.08Å; L290-N294 PolarHBondContact O-ND2 2.97Å; L290-M393 HydrophobicContact CD1-CE 3.77Å; L290-M393 HydrophobicContact CD1-SD 3.7Å; L290-V396 HydrophobicContact CB-CG1 3.83Å; L290-V396 HydrophobicContact CD1-CG1 4.21Å; L290-E400 WeakPolarHBondContact CB-OE1 3.32Å
291R88Confident89.9Confident32 Ų3233.1 Ų33.112%0.12116%0.158CC..Hα-helixtrans-64-48.3176.7-70.7-165.9-158.989.18112D182 L284 N287 A288 L293 N294 D295D182-R291 IonicContact OD1-NH1 2.78Å; D182-R291 PolarHBondContact OD1-NH1 3.1Å; L284-R291 PolarHBondContact O-NH1 3Å; N287-R291 WeakPolarHBondContact O-CG 3.44Å; N287-R291 PolarHBondContact O-N 2.98Å; A288-R291 PolarHBondContact O-N 3.29Å; R291-L293 PolarHBondContact O-N 2.85Å; R291-N294 WeakPolarHBondContact O-CB 3.33Å; R291-N294 PolarHBondContact O-N 2.99Å; R291-N294 VanDerWaalsContact O-N 3.08Å; R291-D295 PolarHBondContact O-N 3.02Å
292K89.4Confident89.9Confident34 Ų3435.1 Ų35.115%0.14817%0.169CC..Hα-helixtrans-58.1-39.2176.5-73.4177172.9175.20111.9L24 F54 N56 A288 A289 L296L24-K292 HydrophobicContact CD1-CB 3.71Å; F54-K292 PolarHBondContact O-NZ 3.31Å; N56-K292 PolarHBondContact O-NZ 2.85Å; N56-K292 WeakPolarHBondContact OD1-CE 3.47Å; N56-K292 PolarHBondContact OD1-NZ 3.4Å; A288-K292 WeakPolarHBondContact O-CG 3.29Å; A288-K292 PolarHBondContact O-N 3.07Å; A289-K292 PolarHBondContact O-N 2.87Å; K292-L296 WeakPolarHBondContact O-CB 3.46Å; K292-L296 PolarHBondContact O-N 3.37Å
293L90.9Very high90.2Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-63.3-47173.8-179.666.7000111.9L24 A289 L290 R291 D295 L296 I297 I389 L392 M393 V396L24-L293 HydrophobicContact CD2-CB 4.04Å; L24-L293 HydrophobicContact CD2-CD1 3.53Å; L24-L293 HydrophobicContact CD2-CG 4.39Å; A289-L293 WeakPolarHBondContact O-CB 3.48Å; A289-L293 PolarHBondContact O-N 3.27Å; L290-L293 WeakPolarHBondContact O-CB 3.35Å; L290-L293 PolarHBondContact O-N 2.97Å; R291-L293 PolarHBondContact O-N 2.85Å; L293-D295 PolarHBondContact O-N 3.23Å; L293-L296 PolarHBondContact O-N 3.28Å; L293-I297 HydrophobicContact CG-CD1 4.24Å; L293-I297 VanDerWaalsContact O-CG1 3.29Å; L293-I297 WeakPolarHBondContact O-CG1 3.44Å; L293-I297 PolarHBondContact O-N 2.94Å; L293-I389 HydrophobicContact CD1-CD1 3.4Å; L293-I389 VanDerWaalsContact CD1-CD1 3.4Å; L293-I389 HydrophobicContact CD1-CG2 4.31Å; L293-L392 HydrophobicContact CD1-CB 4.11Å; L293-L392 HydrophobicContact CD1-CD1 4.02Å; L293-L392 HydrophobicContact CD2-CB 4.42Å; L293-M393 HydrophobicContact CD2-CG 3.77Å; L293-M393 HydrophobicContact CD2-SD 3.23Å; L293-M393 WeakPolarHBondContact CD2-SD 3.46Å; L293-M393 HydrophobicContact CG-SD 4.42Å; L293-V396 HydrophobicContact CD2-CG2 4.14Å
294N89.2Confident90.6Very high67 Ų6735.5 Ų35.536%0.35817%0.167SC..Hα-helixtrans-61.6-41.8176.7-73-23.6000112.2L290 R291 I297 K298L290-N294 VanDerWaalsContact O-CG 3.31Å; L290-N294 PolarHBondContact O-N 3.08Å; L290-N294 PolarHBondContact O-ND2 2.97Å; R291-N294 WeakPolarHBondContact O-CB 3.33Å; R291-N294 PolarHBondContact O-N 2.99Å; R291-N294 VanDerWaalsContact O-N 3.08Å; N294-I297 WeakPolarHBondContact O-CB 3.49Å; N294-I297 PolarHBondContact O-N 2.72Å; N294-K298 WeakPolarHBondContact O-CG 3.34Å; N294-K298 PolarHBondContact O-N 2.91Å
295D88.7Confident90.8Very high42 Ų4235.6 Ų35.623%0.22517%0.168CC..Hα-helixtrans-65.6-38.8177.1-74.7-14000111.3K212 R291 L293 I297 K298 R299K212-D295 IonicContact NZ-OD1 3.14Å; K212-D295 IonicContact NZ-OD2 2.9Å; K212-D295 PolarHBondContact NZ-OD2 3.27Å; R291-D295 PolarHBondContact O-N 3.02Å; L293-D295 PolarHBondContact O-N 3.23Å; D295-I297 VanDerWaalsContact C-N 3.35Å; D295-I297 PolarHBondContact O-N 3.3Å; D295-K298 PolarHBondContact O-N 3.48Å; D295-R299 VanDerWaalsContact O-CB 3.27Å; D295-R299 WeakPolarHBondContact O-CB 3.42Å; D295-R299 PolarHBondContact O-N 2.82Å
296L92.1Very high91.2Very high6 Ų634.6 Ų34.63%0.03116%0.161CC..Hα-helixtrans-64-38.2172.9-171.567.3000112L24 Y28 L32 K292 L293 A300L24-L296 HydrophobicContact CB-CD2 4.48Å; L24-L296 HydrophobicContact CD2-CB 4.5Å; L24-L296 HydrophobicContact CD2-CD2 3.65Å; Y28-L296 HydrophobicContact CD2-CD1 3.92Å; Y28-L296 HydrophobicContact CG-CD1 4.47Å; L32-L296 HydrophobicContact CD2-CD1 3.74Å; K292-L296 WeakPolarHBondContact O-CB 3.46Å; K292-L296 PolarHBondContact O-N 3.37Å; L293-L296 PolarHBondContact O-N 3.28Å; L296-A300 VanDerWaalsContact O-CB 3.27Å; L296-A300 WeakPolarHBondContact O-CB 3.3Å; L296-A300 PolarHBondContact O-N 3.48Å
297I92.7Very high91.9Very high22 Ų2230.5 Ų30.511%0.11315%0.145CC..Hα-helixtrans-64.8-49175.2-67.5163.5000110.7L293 N294 D295 R299 A300 R301 L385 I389L293-I297 HydrophobicContact CG-CD1 4.24Å; L293-I297 VanDerWaalsContact O-CG1 3.29Å; L293-I297 WeakPolarHBondContact O-CG1 3.44Å; L293-I297 PolarHBondContact O-N 2.94Å; N294-I297 WeakPolarHBondContact O-CB 3.49Å; N294-I297 PolarHBondContact O-N 2.72Å; D295-I297 VanDerWaalsContact C-N 3.35Å; D295-I297 PolarHBondContact O-N 3.3Å; I297-R299 VanDerWaalsContact C-N 3.32Å; I297-R299 PolarHBondContact O-N 3.33Å; I297-A300 PolarHBondContact O-N 2.87Å; I297-R301 WeakPolarHBondContact O-CG 3.43Å; I297-R301 PolarHBondContact O-N 2.88Å; I297-L385 HydrophobicContact CB-CD2 4.38Å; I297-L385 HydrophobicContact CG1-CD2 4.26Å; I297-L385 HydrophobicContact CG2-CD2 4.02Å; I297-I389 HydrophobicContact CD1-CD1 4.3Å; I297-I389 HydrophobicContact CD1-CG2 3.63Å; I297-I389 HydrophobicContact CG1-CD1 3.8Å; I297-I389 HydrophobicContact CG1-CG1 4.14Å; I297-I389 HydrophobicContact CG1-CG2 4.18Å
298K90.3Very high92.4Very high86 Ų8629 Ų2937%0.37414%0.136SC..Hα-helixtrans-56.6-47.9176.8-72.6176.7-176.8176.20110.1D211 N294 D295 A300 R301 L302D211-K298 IonicContact OD1-NZ 3.54Å; D211-K298 PolarHBondContact OD1-NZ 3.36Å; D211-K298 IonicContact OD2-NZ 3.52Å; D211-K298 PolarHBondContact OD2-NZ 3.28Å; N294-K298 WeakPolarHBondContact O-CG 3.34Å; N294-K298 PolarHBondContact O-N 2.91Å; D295-K298 PolarHBondContact O-N 3.48Å; K298-A300 PolarHBondContact O-N 2.81Å; K298-R301 PolarHBondContact O-N 3.41Å; K298-L302 PolarHBondContact O-N 2.8Å; K298-L302 VanDerWaalsContact O-N 3.08Å
299R93Very high92.9Very high25 Ų2528.5 Ų28.59%0.09413%0.132CC..Hα-helixtrans-60.7-43.3176.9-171.6178.7179.896.34.6112.6L32 E36 F41 S46 P47 D295 I297 R301 L302 A303L32-R299 HydrophobicContact CD2-CG 4.23Å; E36-R299 WeakPolarHBondContact OE1-CD 3.48Å; E36-R299 IonicContact OE1-CZ 3.6Å; E36-R299 IonicContact OE1-NE 3.9Å; E36-R299 PolarHBondContact OE1-NE 3.08Å; E36-R299 IonicContact OE1-NH2 3.56Å; E36-R299 IonicContact OE2-CZ 2.7Å; E36-R299 IonicContact OE2-NE 3.41Å; E36-R299 PolarHBondContact OE2-NE 3.33Å; E36-R299 IonicContact OE2-NH2 3.23Å; E36-R299 PolarHBondContact OE2-NH2 3.4Å; F41-R299 HydrophobicContact CE1-CG 4.44Å; F41-R299 HydrophobicContact CZ-CG 4.14Å; S46-R299 PolarHBondContact O-NH2 3.24Å; S46-R299 PolarHBondContact OG-NH1 2.9Å; P47-R299 PolarHBondContact O-NH2 3.01Å; D295-R299 VanDerWaalsContact O-CB 3.27Å; D295-R299 WeakPolarHBondContact O-CB 3.42Å; D295-R299 PolarHBondContact O-N 2.82Å; I297-R299 VanDerWaalsContact C-N 3.32Å; I297-R299 PolarHBondContact O-N 3.33Å; R299-R301 PolarHBondContact O-N 2.91Å; R299-L302 PolarHBondContact O-N 2.78Å; R299-A303 WeakPolarHBondContact O-CB 3.36Å; R299-A303 PolarHBondContact O-N 2.8Å
300A95.4Very high93.4Very high0 Ų027.9 Ų27.90%013%0.127CC..Hα-helixtrans-62.3-41.9178.200000112.7L32 L296 I297 K298 A303 K304 V381 M384 L385L32-A300 HydrophobicContact CD1-CB 4.11Å; L32-A300 HydrophobicContact CD2-CB 4Å; L296-A300 VanDerWaalsContact O-CB 3.27Å; L296-A300 WeakPolarHBondContact O-CB 3.3Å; L296-A300 PolarHBondContact O-N 3.48Å; I297-A300 PolarHBondContact O-N 2.87Å; K298-A300 PolarHBondContact O-N 2.81Å; A300-A303 PolarHBondContact O-N 2.88Å; A300-K304 WeakPolarHBondContact O-CG 3.41Å; A300-K304 PolarHBondContact O-N 3.2Å; A300-V381 HydrophobicContact CB-CG1 4.01Å; A300-M384 HydrophobicContact CB-CE 3.57Å; A300-L385 HydrophobicContact CB-CD1 4.34Å; A300-L385 HydrophobicContact CB-CD2 4Å; A300-L385 HydrophobicContact CB-CG 4.36Å
301R94.4Very high93.9Very high120 Ų12026.1 Ų26.145%0.45312%0.118SC..Hα-helixtrans-62.2-48.3174.8-69.2-180-172.3173.12.4111.2I297 K298 R299 A303 K304 V305I297-R301 WeakPolarHBondContact O-CG 3.43Å; I297-R301 PolarHBondContact O-N 2.88Å; K298-R301 PolarHBondContact O-N 3.41Å; R299-R301 PolarHBondContact O-N 2.91Å; R301-A303 VanDerWaalsContact C-N 3.31Å; R301-A303 PolarHBondContact O-N 3.49Å; R301-K304 WeakPolarHBondContact O-CB 3.49Å; R301-K304 PolarHBondContact O-N 2.89Å; R301-V305 WeakPolarHBondContact O-CG2 3.36Å; R301-V305 PolarHBondContact O-N 3.5Å
302L93.8Very high94.3Very high44 Ų4425.7 Ų25.723%0.2312%0.12CC..Hα-helixtrans-60.7-40.4177.7-174.360.9000111.9F41 H45 K298 R299 K304 V305 Q306 P353F41-L302 HydrophobicContact CE2-CB 4.27Å; F41-L302 HydrophobicContact CE2-CD2 4.14Å; F41-L302 HydrophobicContact CE2-CG 3.93Å; F41-L302 HydrophobicContact CZ-CD2 4.09Å; F41-L302 HydrophobicContact CZ-CG 4.37Å; H45-L302 HydrophobicContact CB-CD2 4.23Å; K298-L302 PolarHBondContact O-N 2.8Å; K298-L302 VanDerWaalsContact O-N 3.08Å; R299-L302 PolarHBondContact O-N 2.78Å; L302-K304 PolarHBondContact O-N 3.44Å; L302-V305 PolarHBondContact O-N 3.44Å; L302-Q306 WeakPolarHBondContact O-CB 3.49Å; L302-Q306 PolarHBondContact O-N 3.19Å; L302-P353 HydrophobicContact CD1-CB 4.3Å
303A96.4Very high94.6Very high2 Ų224.1 Ų24.12%0.01711%0.113CC..Hα-helixtrans-65.1-37.7176.600000112.8L32 L35 E36 F41 R299 A300 R301 Q306 A307L32-A303 HydrophobicContact CD1-CB 3.7Å; L35-A303 HydrophobicContact CD2-CB 4.18Å; E36-A303 HydrophobicContact CG-CB 4.09Å; F41-A303 HydrophobicContact CD2-CB 3.84Å; F41-A303 HydrophobicContact CE2-CB 3.92Å; R299-A303 WeakPolarHBondContact O-CB 3.36Å; R299-A303 PolarHBondContact O-N 2.8Å; A300-A303 PolarHBondContact O-N 2.88Å; R301-A303 VanDerWaalsContact C-N 3.31Å; R301-A303 PolarHBondContact O-N 3.49Å; A303-Q306 PolarHBondContact O-N 2.99Å; A303-A307 WeakPolarHBondContact O-CB 3.36Å; A303-A307 PolarHBondContact O-N 3.29Å
304K96.3Very high94.8Very high38 Ų3827.3 Ų27.317%0.16513%0.127CC..Hα-helixtrans-61.9-48.4171.5-73.6-174.371.9-170.20111.4L35 A300 R301 L302 Q306 A307 Y308 L378 V381 E382 L385L35-K304 HydrophobicContact CD2-CG 4.23Å; A300-K304 WeakPolarHBondContact O-CG 3.41Å; A300-K304 PolarHBondContact O-N 3.2Å; R301-K304 WeakPolarHBondContact O-CB 3.49Å; R301-K304 PolarHBondContact O-N 2.89Å; L302-K304 PolarHBondContact O-N 3.44Å; K304-Q306 VanDerWaalsContact C-N 3.32Å; K304-Q306 PolarHBondContact O-N 3.18Å; K304-A307 WeakPolarHBondContact O-CB 3.35Å; K304-A307 PolarHBondContact O-N 2.91Å; K304-A307 VanDerWaalsContact O-N 3.16Å; K304-Y308 HydrophobicContact CB-CE2 4.46Å; K304-Y308 WeakPolarHBondContact O-CD2 3.49Å; K304-Y308 PolarHBondContact O-N 3.45Å; K304-Y308 VanDerWaalsContact O-N 3.09Å; K304-L378 HydrophobicContact CB-CD2 4.29Å; K304-L378 HydrophobicContact CG-CD2 4.06Å; K304-V381 HydrophobicContact CD-CG1 4.03Å; K304-V381 HydrophobicContact CG-CB 4.42Å; K304-V381 HydrophobicContact CG-CG1 3.84Å; K304-E382 HydrophobicContact CD-CG 4.33Å; K304-E382 WeakPolarHBondContact CE-OE1 3.42Å; K304-E382 IonicContact NZ-OE1 2.98Å; K304-E382 PolarHBondContact NZ-OE1 2.87Å; K304-L385 HydrophobicContact CD-CD1 4.17Å
305V96.8Very high95.1Very high2 Ų232.9 Ų32.91%0.01215%0.148CC..Hα-helixtrans-59-46.1178.2175.60000110.7R301 L302 A307 Y308 I309 I347 D351 F352R301-V305 WeakPolarHBondContact O-CG2 3.36Å; R301-V305 PolarHBondContact O-N 3.5Å; L302-V305 PolarHBondContact O-N 3.44Å; V305-A307 VanDerWaalsContact C-N 3.32Å; V305-A307 PolarHBondContact O-N 2.8Å; V305-Y308 PolarHBondContact O-N 2.96Å; V305-Y308 VanDerWaalsContact O-N 3.15Å; V305-I309 HydrophobicContact CG1-CD1 3.74Å; V305-I309 HydrophobicContact CG1-CG1 4.33Å; V305-I309 WeakPolarHBondContact O-CG1 3.37Å; V305-I309 PolarHBondContact O-N 2.94Å; V305-I347 HydrophobicContact CG2-CD1 4.01Å; V305-I347 HydrophobicContact CG2-CG2 3.7Å; V305-D351 HydrophobicContact CG2-CB 4.05Å; V305-F352 HydrophobicContact CG1-CD1 3.59Å; V305-F352 HydrophobicContact CG1-CE1 3.8Å; V305-F352 HydrophobicContact CG1-CG 4.03Å; V305-F352 HydrophobicContact CG1-CZ 4.41Å
306Q96.6Very high95.3Very high1 Ų134.3 Ų34.31%0.00515%0.154CC..Hα-helixtrans-57.1-44.3175.1-179.665.210.700112F41 H45 L302 A303 K304 Y308 I309 I310F41-Q306 HydrophobicContact CD2-CB 4.3Å; F41-Q306 HydrophobicContact CD2-CG 4.39Å; H45-Q306 PolarHBondContact NE2-OE1 3.32Å; L302-Q306 WeakPolarHBondContact O-CB 3.49Å; L302-Q306 PolarHBondContact O-N 3.19Å; A303-Q306 PolarHBondContact O-N 2.99Å; K304-Q306 VanDerWaalsContact C-N 3.32Å; K304-Q306 PolarHBondContact O-N 3.18Å; Q306-Y308 VanDerWaalsContact C-N 3.31Å; Q306-Y308 PolarHBondContact O-N 3.08Å; Q306-I309 PolarHBondContact O-N 2.83Å; Q306-I310 HydrophobicContact CG-CG1 4.25Å; Q306-I310 VanDerWaalsContact NE2-CG1 3.3Å; Q306-I310 WeakPolarHBondContact O-CB 3.36Å; Q306-I310 VanDerWaalsContact O-CG1 3.32Å; Q306-I310 WeakPolarHBondContact O-CG1 3.38Å; Q306-I310 PolarHBondContact O-N 3.29Å
307A97.6Very high95.4Very high0 Ų035.3 Ų35.30%016%0.158CC..Hα-helixtrans-59.8-41.4177.300000112.1L35 Y39 A303 K304 V305 S311 L378L35-A307 HydrophobicContact CD1-CB 4.07Å; L35-A307 HydrophobicContact CG-CB 4.39Å; Y39-A307 HydrophobicContact CD1-CB 4.16Å; Y39-A307 HydrophobicContact CD2-CB 3.39Å; Y39-A307 HydrophobicContact CE1-CB 4.31Å; Y39-A307 HydrophobicContact CE2-CB 3.56Å; Y39-A307 HydrophobicContact CG-CB 3.69Å; A303-A307 WeakPolarHBondContact O-CB 3.36Å; A303-A307 PolarHBondContact O-N 3.29Å; K304-A307 WeakPolarHBondContact O-CB 3.35Å; K304-A307 PolarHBondContact O-N 2.91Å; K304-A307 VanDerWaalsContact O-N 3.16Å; V305-A307 VanDerWaalsContact C-N 3.32Å; V305-A307 PolarHBondContact O-N 2.8Å; A307-S311 WeakPolarHBondContact O-CB 3.2Å; A307-S311 PolarHBondContact O-N 3.38Å; A307-S311 PolarHBondContact O-OG 3.19Å; A307-L378 HydrophobicContact CB-CD2 4.15Å
308Y97.9Very high95.3Very high16 Ų1636.4 Ų36.46%0.06317%0.167CC..Hα-helixtrans-66.8-44174.8-65.3-56.9000112.4K304 V305 Q306 S311 S312 I341 H345 I347 L373 L378K304-Y308 HydrophobicContact CB-CE2 4.46Å; K304-Y308 WeakPolarHBondContact O-CD2 3.49Å; K304-Y308 PolarHBondContact O-N 3.45Å; K304-Y308 VanDerWaalsContact O-N 3.09Å; V305-Y308 PolarHBondContact O-N 2.96Å; V305-Y308 VanDerWaalsContact O-N 3.15Å; Q306-Y308 VanDerWaalsContact C-N 3.31Å; Q306-Y308 PolarHBondContact O-N 3.08Å; Y308-S311 PolarHBondContact O-N 2.98Å; Y308-S312 VanDerWaalsContact O-CB 3.3Å; Y308-S312 WeakPolarHBondContact O-CB 3.24Å; Y308-S312 PolarHBondContact O-N 3.04Å; Y308-S312 PolarHBondContact O-OG 3.31Å; Y308-I341 HydrophobicContact CD2-CG2 4.43Å; Y308-I341 HydrophobicContact CG-CG2 4.32Å; Y308-H345 AromaticContact CD1-CD2 3.78Å; Y308-H345 AromaticContact CD1-CE1 3.77Å; Y308-H345 AromaticContact CD1-NE2 3.45Å; Y308-H345 WeakPolarHBondContact CD1-NE2 3.47Å; Y308-H345 AromaticContact CE1-CD2 3.97Å; Y308-H345 AromaticContact CE1-CE1 3.41Å; Y308-H345 VanDerWaalsContact CE1-CE1 3.41Å; Y308-H345 WeakPolarHBondContact CE1-CE1 3.2Å; Y308-H345 AromaticContact CE1-CG 3.96Å; Y308-H345 AromaticContact CE1-ND1 3.63Å; Y308-H345 AromaticContact CE1-NE2 3.61Å; Y308-H345 HydrophobicContact CE2-CB 4.31Å; Y308-H345 AromaticContact CG-CD2 3.95Å; Y308-H345 AromaticContact CZ-CG 3.91Å; Y308-H345 AromaticContact CZ-ND1 3.73Å; Y308-I347 HydrophobicContact CD2-CD1 3.65Å; Y308-I347 HydrophobicContact CE2-CD1 3.78Å; Y308-L373 HydrophobicContact CD1-CD1 4.02Å; Y308-L373 HydrophobicContact CE1-CD1 4.27Å; Y308-L378 HydrophobicContact CD1-CD1 4.32Å; Y308-L378 HydrophobicContact CE1-CD1 3.57Å
309I97.3Very high95.1Very high0 Ų037.3 Ų37.30%018%0.184CC..Hα-helixtrans-58.1-55.7177.6-67.3165.2000110V305 Q306 S311 S312 L313 L334 Y338 I341 F352 P353 M358V305-I309 HydrophobicContact CG1-CD1 3.74Å; V305-I309 HydrophobicContact CG1-CG1 4.33Å; V305-I309 WeakPolarHBondContact O-CG1 3.37Å; V305-I309 PolarHBondContact O-N 2.94Å; Q306-I309 PolarHBondContact O-N 2.83Å; I309-S311 VanDerWaalsContact C-N 3.3Å; I309-S311 PolarHBondContact O-N 3.46Å; I309-S312 PolarHBondContact O-N 2.72Å; I309-L313 HydrophobicContact CG2-CD1 3.93Å; I309-L313 HydrophobicContact CG2-CG 4.44Å; I309-L313 VanDerWaalsContact O-CG 3.28Å; I309-L313 WeakPolarHBondContact O-CG 3.47Å; I309-L313 PolarHBondContact O-N 2.97Å; I309-L334 HydrophobicContact CG2-CD1 4.35Å; I309-Y338 HydrophobicContact CD1-CD1 4.24Å; I309-Y338 HydrophobicContact CD1-CE1 3.44Å; I309-Y338 VanDerWaalsContact CD1-CE1 3.44Å; I309-Y338 HydrophobicContact CG1-CD1 4.21Å; I309-Y338 HydrophobicContact CG1-CE1 3.72Å; I309-Y338 HydrophobicContact CG2-CE1 4.28Å; I309-I341 HydrophobicContact CB-CD1 4.42Å; I309-I341 HydrophobicContact CG1-CD1 3.87Å; I309-F352 HydrophobicContact CD1-CD1 4.39Å; I309-P353 HydrophobicContact CD1-CG 4.11Å; I309-M358 HydrophobicContact CG2-CE 4.38Å
310I97.4Very high94.5Very high2 Ų240.7 Ų40.71%0.0121%0.207CC..Hα-helixtrans-61.2-40.4-177.8-65.2-60.1000111.4Y39 F44 Q306 K314 L362 F370Y39-I310 HydrophobicContact CD1-CB 4.14Å; Y39-I310 HydrophobicContact CD1-CG2 3.98Å; F44-I310 HydrophobicContact CE2-CD1 3.93Å; F44-I310 HydrophobicContact CZ-CD1 3.93Å; Q306-I310 HydrophobicContact CG-CG1 4.25Å; Q306-I310 VanDerWaalsContact NE2-CG1 3.3Å; Q306-I310 WeakPolarHBondContact O-CB 3.36Å; Q306-I310 VanDerWaalsContact O-CG1 3.32Å; Q306-I310 WeakPolarHBondContact O-CG1 3.38Å; Q306-I310 PolarHBondContact O-N 3.29Å; I310-K314 WeakPolarHBondContact O-CB 3.35Å; I310-K314 PolarHBondContact O-N 3.27Å; I310-L362 HydrophobicContact CD1-CD2 4.42Å; I310-F370 HydrophobicContact CD1-CD1 4.49Å; I310-F370 HydrophobicContact CD1-CD2 4.19Å; I310-F370 HydrophobicContact CD1-CE1 4.12Å; I310-F370 HydrophobicContact CD1-CE2 3.78Å; I310-F370 HydrophobicContact CD1-CZ 3.75Å; I310-F370 HydrophobicContact CG2-CB 3.69Å; I310-F370 HydrophobicContact CG2-CD1 4.08Å; I310-F370 HydrophobicContact CG2-CD2 3.96Å; I310-F370 HydrophobicContact CG2-CG 3.66Å
311S96.9Very high94.1Very high9 Ų949.1 Ų49.16%0.06324%0.244CC..Hα-helixtrans-67-40.8177.9-62.80000112.8Y39 A307 Y308 I309 K314 K315 L373Y39-S311 WeakPolarHBondContact CE1-OG 3.35Å; A307-S311 WeakPolarHBondContact O-CB 3.2Å; A307-S311 PolarHBondContact O-N 3.38Å; A307-S311 PolarHBondContact O-OG 3.19Å; Y308-S311 PolarHBondContact O-N 2.98Å; I309-S311 VanDerWaalsContact C-N 3.3Å; I309-S311 PolarHBondContact O-N 3.46Å; S311-K314 PolarHBondContact O-N 3.09Å; S311-K315 WeakPolarHBondContact O-CB 3.5Å; S311-K315 PolarHBondContact O-N 2.91Å; S311-L373 WeakPolarHBondContact OG-CA 3.41Å; S311-L373 VanDerWaalsContact OG-CD1 3.23Å; S311-L373 WeakPolarHBondContact OG-CD1 3.3Å; S311-L373 PolarHBondContact OG-N 2.73Å
312S96.4Very high93.9Very high24 Ų2445.7 Ų45.717%0.16825%0.247CC..Hα-helixtrans-64.8-45.5176.8-70.60000111Y308 I309 K314 K315 E316Y308-S312 VanDerWaalsContact O-CB 3.3Å; Y308-S312 WeakPolarHBondContact O-CB 3.24Å; Y308-S312 PolarHBondContact O-N 3.04Å; Y308-S312 PolarHBondContact O-OG 3.31Å; I309-S312 PolarHBondContact O-N 2.72Å; S312-K314 VanDerWaalsContact C-N 3.33Å; S312-K314 PolarHBondContact O-N 3.21Å; S312-K315 WeakPolarHBondContact O-CB 3.47Å; S312-K315 PolarHBondContact O-N 3.02Å; S312-E316 PolarHBondContact O-N 3.07Å; S312-E316 VanDerWaalsContact O-N 3.16Å
313L96.1Very high93.8Very high0 Ų046.9 Ų46.90%025%0.25CS..Hα-helixtrans-59.1-45.3174-65.4173.8000111.1I309 K315 E316 M317 L330 L334 I337 L362 F367 F370I309-L313 HydrophobicContact CG2-CD1 3.93Å; I309-L313 HydrophobicContact CG2-CG 4.44Å; I309-L313 VanDerWaalsContact O-CG 3.28Å; I309-L313 WeakPolarHBondContact O-CG 3.47Å; I309-L313 PolarHBondContact O-N 2.97Å; L313-K315 VanDerWaalsContact C-N 3.32Å; L313-K315 PolarHBondContact O-N 3.35Å; L313-E316 PolarHBondContact O-N 3.18Å; L313-M317 VanDerWaalsContact O-CG 3.28Å; L313-M317 WeakPolarHBondContact O-CG 3.32Å; L313-M317 PolarHBondContact O-N 3.41Å; L313-L330 HydrophobicContact CD2-CB 3.9Å; L313-L330 HydrophobicContact CD2-CD1 4.29Å; L313-L330 HydrophobicContact CD2-CD2 4.45Å; L313-L330 HydrophobicContact CD2-CG 4.45Å; L313-L334 HydrophobicContact CD2-CD1 4.38Å; L313-I337 HydrophobicContact CD2-CD1 3.68Å; L313-L362 HydrophobicContact CD1-CD1 3.93Å; L313-L362 HydrophobicContact CD1-CD2 3.77Å; L313-F367 HydrophobicContact CB-CD2 4.16Å; L313-F367 HydrophobicContact CB-CE2 4.08Å; L313-F367 HydrophobicContact CD1-CE2 3.97Å; L313-F367 HydrophobicContact CD1-CZ 3.95Å; L313-F367 HydrophobicContact CD2-CE2 3.91Å; L313-F367 HydrophobicContact CG-CE2 4.21Å; L313-F370 HydrophobicContact CB-CD2 4.26Å; L313-F370 HydrophobicContact CB-CE2 4.36Å; L313-F370 HydrophobicContact CD1-CE2 4.13Å
314K95.8Very high93.5Very high68 Ų6852.9 Ų52.930%0.29628%0.282SS..Hα-helixtrans-60.7-39.8176.717956.4174.8-174.30112.5I310 S311 S312 E316 M317 T368 F370I310-K314 WeakPolarHBondContact O-CB 3.35Å; I310-K314 PolarHBondContact O-N 3.27Å; S311-K314 PolarHBondContact O-N 3.09Å; S312-K314 VanDerWaalsContact C-N 3.33Å; S312-K314 PolarHBondContact O-N 3.21Å; K314-E316 VanDerWaalsContact C-N 3.31Å; K314-E316 PolarHBondContact O-N 2.81Å; K314-M317 PolarHBondContact O-N 2.85Å; K314-T368 PolarHBondContact NZ-O 3.43Å; K314-F370 HydrophobicContact CB-CB 3.93Å; K314-F370 HydrophobicContact CD-CB 4.23Å; K314-F370 WeakPolarHBondContact CD-O 3.29Å; K314-F370 WeakPolarHBondContact CE-O 3.36Å; K314-F370 HydrophobicContact CG-CB 4.38Å; K314-F370 WeakPolarHBondContact CG-O 3.41Å
315K94.8Very high93.4Very high184 Ų18455.1 Ų55.180%0.830%0.302SS*.Hα-helixtrans-65.3-33.5-179.4-173.6-178.9178.2-177.90112.4S311 S312 L313S311-K315 WeakPolarHBondContact O-CB 3.5Å; S311-K315 PolarHBondContact O-N 2.91Å; S312-K315 WeakPolarHBondContact O-CB 3.47Å; S312-K315 PolarHBondContact O-N 3.02Å; L313-K315 VanDerWaalsContact C-N 3.32Å; L313-K315 PolarHBondContact O-N 3.35Å
316E93.8Very high93.3Very high72 Ų7257.3 Ų57.334%0.33631%0.312SS..Hα-helixtrans-88.3-7.8-179.2-65.1-164.5-162.200114.3S312 L313 K314 L330S312-E316 PolarHBondContact O-N 3.07Å; S312-E316 VanDerWaalsContact O-N 3.16Å; L313-E316 PolarHBondContact O-N 3.18Å; K314-E316 VanDerWaalsContact C-N 3.31Å; K314-E316 PolarHBondContact O-N 2.81Å; E316-L330 HydrophobicContact CB-CD1 4.19Å; E316-L330 HydrophobicContact CB-CD2 3.76Å; E316-L330 HydrophobicContact CG-CD2 4.38Å; E316-L330 WeakPolarHBondContact OE2-CD2 3.23Å
317M93.4Very high93.3Very high26 Ų2659.1 Ų59.113%0.12832%0.319CS..SBendtrans-75.5132.6179.1-78-68.5-65.900112.5L313 K314 K323 L330 F367 T368L313-M317 VanDerWaalsContact O-CG 3.28Å; L313-M317 WeakPolarHBondContact O-CG 3.32Å; L313-M317 PolarHBondContact O-N 3.41Å; K314-M317 PolarHBondContact O-N 2.85Å; M317-K323 HydrophobicContact CE-CB 3.87Å; M317-K323 HydrophobicContact CE-CG 4.15Å; M317-L330 HydrophobicContact CG-CD1 4.22Å; M317-L330 HydrophobicContact SD-CD1 3.94Å; M317-F367 HydrophobicContact CE-CB 3.83Å; M317-F367 HydrophobicContact CG-CB 3.84Å; M317-F367 HydrophobicContact CG-CD2 4.09Å; M317-F367 HydrophobicContact SD-CB 3.85Å; M317-F367 HydrophobicContact SD-CD2 3.83Å; M317-F367 HydrophobicContact SD-CG 4.31Å; M317-T368 HydrophobicContact CE-CG2 4.49Å
318P91.3Very high93.2Very high46 Ų4666.4 Ų66.430%0.29935%0.351SS..  trans-71.4147.4176.229.3-34.9000111.3F321 K323 K326P318-F321 WeakPolarHBondContact CB-O 3.41Å; P318-F321 VanDerWaalsContact CG-O 3.23Å; P318-F321 WeakPolarHBondContact CG-O 3.39Å; P318-K323 HydrophobicContact CG-CG 4.08Å; P318-K323 VanDerWaalsContact O-CE 3.24Å; P318-K323 WeakPolarHBondContact O-CE 3.44Å; P318-K326 HydrophobicContact CG-CB 4.27Å
319S85.9Confident93.1Very high105 Ų10569.8 Ų69.873%0.73437%0.368SS*.SBendtrans-73.9-32.9-177.249.50000113.6K323S319-K323 WeakPolarHBondContact O-CE 3.45Å; S319-K323 PolarHBondContact O-NZ 3.28Å
320V80.3Confident93.1Very high95 Ų9569.9 Ų69.958%0.57637%0.368SS*.SBendtrans-121.9-62.9-168.1-164.80000113.8
321F87.1Confident93.1Very high177 Ų17770.3 Ų70.378%0.77637%0.37SS*.SBendtrans-118.1158.4-174.1-66.4-78000112.9P318 K323P318-F321 WeakPolarHBondContact CB-O 3.41Å; P318-F321 VanDerWaalsContact CG-O 3.23Å; P318-F321 WeakPolarHBondContact CG-O 3.39Å; F321-K323 PolarHBondContact O-N 3.23Å
322G89.8Confident93.1Very high49 Ų4973.1 Ų73.151%0.50539%0.394SS..  trans78.113.4173.600000115.9D324 S325 K326G322-D324 PolarHBondContact O-N 3.08Å; G322-S325 PolarHBondContact O-N 3.28Å; G322-K326 PolarHBondContact O-N 3.1Å
323K90.9Very high93.1Very high69 Ų6975.2 Ų75.230%0.340%0.403SS..Hα-helixtrans-57.6-44.7-174.7-66.9177.1-179.7175.60113.3M317 P318 S319 F321 K326 K327 T368M317-K323 HydrophobicContact CE-CB 3.87Å; M317-K323 HydrophobicContact CE-CG 4.15Å; P318-K323 HydrophobicContact CG-CG 4.08Å; P318-K323 VanDerWaalsContact O-CE 3.24Å; P318-K323 WeakPolarHBondContact O-CE 3.44Å; S319-K323 WeakPolarHBondContact O-CE 3.45Å; S319-K323 PolarHBondContact O-NZ 3.28Å; F321-K323 PolarHBondContact O-N 3.23Å; K323-K326 PolarHBondContact O-N 3.31Å; K323-K327 WeakPolarHBondContact O-CB 3.34Å; K323-K327 PolarHBondContact O-N 3.38Å; K323-T368 HydrophobicContact CD-CG2 3.82Å
324D92.1Very high93.1Very high127 Ų12775.2 Ų75.268%0.67940%0.403SS*.Hα-helixtrans-69.1-40.3-177.9-62.1-39.1000112.4G322 K327 K328G322-D324 PolarHBondContact O-N 3.08Å; D324-K327 PolarHBondContact O-N 3.01Å; D324-K328 WeakPolarHBondContact O-CG 3.33Å; D324-K328 PolarHBondContact O-N 3.44Å; D324-K328 VanDerWaalsContact O-N 3.14Å
325S93.9Very high93.2Very high86 Ų8673 Ų7360%0.60140%0.401SS*.Hα-helixtrans-63.7-46.3175.1-168.40000110.6G322 K327 K328 E329G322-S325 PolarHBondContact O-N 3.28Å; S325-K327 PolarHBondContact O-N 3.24Å; S325-K328 PolarHBondContact O-N 3.4Å; S325-E329 PolarHBondContact O-N 2.79Å
326K95Very high93.3Very high47 Ų4770.5 Ų70.520%0.20439%0.392CS..Hα-helixtrans-65.8-38.7179.4-171.562.3177.8176.10111.9P318 G322 K323 K328 E329 L330P318-K326 HydrophobicContact CG-CB 4.27Å; G322-K326 PolarHBondContact O-N 3.1Å; K323-K326 PolarHBondContact O-N 3.31Å; K326-K328 PolarHBondContact O-N 3.38Å; K326-E329 WeakPolarHBondContact CD-OE2 3.42Å; K326-E329 IonicContact NZ-OE1 2.59Å; K326-E329 PolarHBondContact NZ-OE1 3.49Å; K326-E329 IonicContact NZ-OE2 3.14Å; K326-E329 WeakPolarHBondContact O-CB 3.26Å; K326-E329 PolarHBondContact O-N 3.33Å; K326-L330 HydrophobicContact CD-CG 4.37Å; K326-L330 HydrophobicContact CG-CD1 4.08Å; K326-L330 HydrophobicContact CG-CG 4.22Å; K326-L330 WeakPolarHBondContact O-CB 3.18Å; K326-L330 VanDerWaalsContact O-CG 3.24Å; K326-L330 WeakPolarHBondContact O-CG 3.3Å; K326-L330 PolarHBondContact O-N 3.45Å
327K95.3Very high93.4Very high39 Ų3967.6 Ų67.617%0.1738%0.378CS..Hα-helixtrans-56.7-49.1173.8175.7-178.3167.6-174.80111.3K323 D324 S325 E329 L330 I331 L362 N363 Q365 F367K323-K327 WeakPolarHBondContact O-CB 3.34Å; K323-K327 PolarHBondContact O-N 3.38Å; D324-K327 PolarHBondContact O-N 3.01Å; S325-K327 PolarHBondContact O-N 3.24Å; K327-E329 VanDerWaalsContact C-N 3.34Å; K327-E329 PolarHBondContact O-N 3.13Å; K327-L330 PolarHBondContact O-N 3.32Å; K327-I331 HydrophobicContact CG-CD1 3.86Å; K327-I331 VanDerWaalsContact O-CG1 3.29Å; K327-I331 WeakPolarHBondContact O-CG1 3.46Å; K327-I331 PolarHBondContact O-N 2.89Å; K327-L362 WeakPolarHBondContact CE-O 3.48Å; K327-N363 PolarHBondContact NZ-O 3.21Å; K327-Q365 VanDerWaalsContact CE-O 3.29Å; K327-Q365 WeakPolarHBondContact CE-O 3.43Å; K327-Q365 PolarHBondContact NZ-O 3.48Å; K327-F367 HydrophobicContact CB-CD2 4.49Å; K327-F367 HydrophobicContact CD-CD1 4.26Å; K327-F367 HydrophobicContact CD-CE1 4.4Å; K327-F367 HydrophobicContact CG-CD1 4.27Å; K327-F367 HydrophobicContact CG-CD2 4.18Å; K327-F367 HydrophobicContact CG-CE1 4.18Å; K327-F367 HydrophobicContact CG-CE2 4.08Å; K327-F367 HydrophobicContact CG-CG 4.28Å; K327-F367 HydrophobicContact CG-CZ 4.09Å
328K95.9Very high93.6Very high153 Ų15367.2 Ų67.267%0.66538%0.375SS*.Hα-helixtrans-61.5-42.5178.5-70.1-178.7-174.3-1760112D324 S325 K326 I331 A332D324-K328 WeakPolarHBondContact O-CG 3.33Å; D324-K328 PolarHBondContact O-N 3.44Å; D324-K328 VanDerWaalsContact O-N 3.14Å; S325-K328 PolarHBondContact O-N 3.4Å; K326-K328 PolarHBondContact O-N 3.38Å; K328-I331 PolarHBondContact O-N 3Å; K328-A332 WeakPolarHBondContact O-CB 3.5Å; K328-A332 PolarHBondContact O-N 3.02Å
329E96.7Very high93.8Very high87 Ų8770.2 Ų70.241%0.40739%0.386SS..Hα-helixtrans-60.1-48175.4-173.9-161.1136.400111.8S325 K326 K327 I331 A332 N333S325-E329 PolarHBondContact O-N 2.79Å; K326-E329 WeakPolarHBondContact CD-OE2 3.42Å; K326-E329 IonicContact NZ-OE1 2.59Å; K326-E329 PolarHBondContact NZ-OE1 3.49Å; K326-E329 IonicContact NZ-OE2 3.14Å; K326-E329 WeakPolarHBondContact O-CB 3.26Å; K326-E329 PolarHBondContact O-N 3.33Å; K327-E329 VanDerWaalsContact C-N 3.34Å; K327-E329 PolarHBondContact O-N 3.13Å; E329-I331 VanDerWaalsContact C-N 3.34Å; E329-I331 PolarHBondContact O-N 3.34Å; E329-A332 PolarHBondContact O-N 3.41Å; E329-N333 WeakPolarHBondContact O-CB 3.45Å; E329-N333 PolarHBondContact O-N 3.23Å
330L96.5Very high94.3Very high3 Ų369.8 Ų69.82%0.01637%0.37CS..Hα-helixtrans-62.5-39.1179.1-71.9173000112.6L313 E316 M317 K326 K327 N333 L334 I337 F367L313-L330 HydrophobicContact CD2-CB 3.9Å; L313-L330 HydrophobicContact CD2-CD1 4.29Å; L313-L330 HydrophobicContact CD2-CD2 4.45Å; L313-L330 HydrophobicContact CD2-CG 4.45Å; E316-L330 HydrophobicContact CB-CD1 4.19Å; E316-L330 HydrophobicContact CB-CD2 3.76Å; E316-L330 HydrophobicContact CG-CD2 4.38Å; E316-L330 WeakPolarHBondContact OE2-CD2 3.23Å; M317-L330 HydrophobicContact CG-CD1 4.22Å; M317-L330 HydrophobicContact SD-CD1 3.94Å; K326-L330 HydrophobicContact CD-CG 4.37Å; K326-L330 HydrophobicContact CG-CD1 4.08Å; K326-L330 HydrophobicContact CG-CG 4.22Å; K326-L330 WeakPolarHBondContact O-CB 3.18Å; K326-L330 VanDerWaalsContact O-CG 3.24Å; K326-L330 WeakPolarHBondContact O-CG 3.3Å; K326-L330 PolarHBondContact O-N 3.45Å; K327-L330 PolarHBondContact O-N 3.32Å; L330-N333 CarbonylContact O-C 3.56Å; L330-L334 PolarHBondContact O-N 3.08Å; L330-L334 VanDerWaalsContact O-N 3.11Å; L330-I337 HydrophobicContact CD2-CD1 3.93Å; L330-F367 HydrophobicContact CB-CE2 4.25Å; L330-F367 HydrophobicContact CD1-CD2 4.2Å; L330-F367 HydrophobicContact CD1-CE2 4.19Å
331I96.8Very high95.1Very high10 Ų1065.3 Ų65.35%0.05134%0.343CS..Hα-helixtrans-67.3-44.5176.6-67.2169.9000110K327 K328 E329 N333 L334 Q359 L362 N363 F367K327-I331 HydrophobicContact CG-CD1 3.86Å; K327-I331 VanDerWaalsContact O-CG1 3.29Å; K327-I331 WeakPolarHBondContact O-CG1 3.46Å; K327-I331 PolarHBondContact O-N 2.89Å; K328-I331 PolarHBondContact O-N 3Å; E329-I331 VanDerWaalsContact C-N 3.34Å; E329-I331 PolarHBondContact O-N 3.34Å; I331-N333 VanDerWaalsContact C-N 3.3Å; I331-N333 PolarHBondContact O-N 2.72Å; I331-L334 VanDerWaalsContact O-CB 3.3Å; I331-L334 WeakPolarHBondContact O-CB 3.48Å; I331-L334 PolarHBondContact O-N 2.7Å; I331-Q359 HydrophobicContact CG2-CB 3.82Å; I331-Q359 HydrophobicContact CG2-CG 3.96Å; I331-Q359 WeakPolarHBondContact O-CG 3.45Å; I331-Q359 PolarHBondContact O-NE2 3.39Å; I331-L362 HydrophobicContact CD1-CB 4.01Å; I331-L362 HydrophobicContact CG1-CB 3.99Å; I331-N363 WeakPolarHBondContact CD1-OD1 3.34Å; I331-F367 HydrophobicContact CD1-CE1 4.49Å; I331-F367 HydrophobicContact CD1-CZ 4.05Å; I331-F367 HydrophobicContact CG1-CE2 4.45Å; I331-F367 HydrophobicContact CG1-CZ 3.82Å
332A96.9Very high95.5Very high68 Ų6860 Ų6056%0.56232%0.321SS*.Hα-helixtrans-60.9-40.3177.400000112K328 E329 L334K328-A332 WeakPolarHBondContact O-CB 3.5Å; K328-A332 PolarHBondContact O-N 3.02Å; E329-A332 PolarHBondContact O-N 3.41Å; A332-L334 VanDerWaalsContact C-N 3.34Å; A332-L334 PolarHBondContact O-N 3.23Å
333N96.6Very high95.7Very high68 Ų6865.3 Ų65.336%0.36433%0.33SS..THydrogen-bonded Turntrans-92.716.3-178.4-63-20.8000113.8E329 L330 I331 G335 E336 I337E329-N333 WeakPolarHBondContact O-CB 3.45Å; E329-N333 PolarHBondContact O-N 3.23Å; L330-N333 CarbonylContact O-C 3.56Å; I331-N333 VanDerWaalsContact C-N 3.3Å; I331-N333 PolarHBondContact O-N 2.72Å; N333-G335 PolarHBondContact O-N 3.31Å; N333-G335 VanDerWaalsContact O-N 3.1Å; N333-E336 PolarHBondContact O-N 2.73Å; N333-I337 PolarHBondContact O-N 3.01Å
334L97.1Very high95.9Very high0 Ų067.5 Ų67.50%034%0.341CS..Hα-helixtrans-57.6-30.5-175.5-17365.7000113.1I309 L313 L330 I331 A332 E336 I337 Y338 L355 M358 Q359 L362I309-L334 HydrophobicContact CG2-CD1 4.35Å; L313-L334 HydrophobicContact CD2-CD1 4.38Å; L330-L334 PolarHBondContact O-N 3.08Å; L330-L334 VanDerWaalsContact O-N 3.11Å; I331-L334 VanDerWaalsContact O-CB 3.3Å; I331-L334 WeakPolarHBondContact O-CB 3.48Å; I331-L334 PolarHBondContact O-N 2.7Å; A332-L334 VanDerWaalsContact C-N 3.34Å; A332-L334 PolarHBondContact O-N 3.23Å; L334-E336 PolarHBondContact O-N 3.32Å; L334-I337 HydrophobicContact CD1-CD1 4.43Å; L334-I337 WeakPolarHBondContact O-CB 3.21Å; L334-I337 PolarHBondContact O-N 3.04Å; L334-Y338 HydrophobicContact CD1-CD1 4.16Å; L334-Y338 HydrophobicContact CD1-CE1 3.67Å; L334-Y338 HydrophobicContact CD2-CE1 4.05Å; L334-Y338 HydrophobicContact CG-CD1 4.09Å; L334-Y338 HydrophobicContact CG-CE1 3.61Å; L334-Y338 VanDerWaalsContact O-CD1 3.3Å; L334-Y338 WeakPolarHBondContact O-CD1 3.48Å; L334-Y338 PolarHBondContact O-N 3.16Å; L334-L355 HydrophobicContact CB-CD1 3.88Å; L334-L355 HydrophobicContact CD2-CD1 3.94Å; L334-L355 HydrophobicContact CG-CD1 3.82Å; L334-M358 HydrophobicContact CD2-CB 3.98Å; L334-M358 HydrophobicContact CD2-CG 3.88Å; L334-Q359 HydrophobicContact CB-CG 4.19Å; L334-Q359 HydrophobicContact CD2-CG 3.79Å; L334-L362 HydrophobicContact CD1-CD1 4.12Å; L334-L362 HydrophobicContact CD2-CD1 3.75Å
335G96.6Very high96Very high23 Ų2364.8 Ų64.824%0.23732%0.324CS..Hα-helixtrans-63.4-38.1176.500000113.3N333 Y338 Q339N333-G335 PolarHBondContact O-N 3.31Å; N333-G335 VanDerWaalsContact O-N 3.1Å; G335-Y338 PolarHBondContact O-N 3.02Å; G335-Q339 WeakPolarHBondContact O-CG 3.43Å; G335-Q339 PolarHBondContact O-N 2.82Å; G335-Q339 VanDerWaalsContact O-N 3.11Å
336E96.5Very high95.9Very high131 Ų13169.2 Ų69.261%0.61234%0.336SS*.Hα-helixtrans-69.9-37.4175.4-61.8-175.8172.700111.1N333 L334 Y338 Q339 K340N333-E336 PolarHBondContact O-N 2.73Å; L334-E336 PolarHBondContact O-N 3.32Å; E336-Y338 VanDerWaalsContact C-N 3.29Å; E336-Y338 PolarHBondContact O-N 3.4Å; E336-Q339 PolarHBondContact O-N 2.8Å; E336-K340 WeakPolarHBondContact O-CB 3.13Å; E336-K340 PolarHBondContact O-N 3.03Å
337I96.4Very high95.8Very high11 Ų1168.2 Ų68.26%0.05633%0.332CS..Hα-helixtrans-60.9-41.7174.2-60.2176.1000110L313 L330 N333 L334 K340 I341L313-I337 HydrophobicContact CD2-CD1 3.68Å; L330-I337 HydrophobicContact CD2-CD1 3.93Å; N333-I337 PolarHBondContact O-N 3.01Å; L334-I337 HydrophobicContact CD1-CD1 4.43Å; L334-I337 WeakPolarHBondContact O-CB 3.21Å; L334-I337 PolarHBondContact O-N 3.04Å; I337-K340 PolarHBondContact O-N 3.03Å; I337-I341 HydrophobicContact CG2-CD1 3.82Å; I337-I341 HydrophobicContact CG2-CG1 4.44Å; I337-I341 VanDerWaalsContact O-CG1 3.27Å; I337-I341 WeakPolarHBondContact O-CG1 3.4Å; I337-I341 PolarHBondContact O-N 3.23Å
338Y97.3Very high95.5Very high18 Ų1869.5 Ų69.57%0.07135%0.346CS..Hα-helixtrans-61.7-49.7176.2-77.917.3000111.3I309 L334 G335 E336 K340 I341 E342 F352 P353 L355 M358I309-Y338 HydrophobicContact CD1-CD1 4.24Å; I309-Y338 HydrophobicContact CD1-CE1 3.44Å; I309-Y338 VanDerWaalsContact CD1-CE1 3.44Å; I309-Y338 HydrophobicContact CG1-CD1 4.21Å; I309-Y338 HydrophobicContact CG1-CE1 3.72Å; I309-Y338 HydrophobicContact CG2-CE1 4.28Å; L334-Y338 HydrophobicContact CD1-CD1 4.16Å; L334-Y338 HydrophobicContact CD1-CE1 3.67Å; L334-Y338 HydrophobicContact CD2-CE1 4.05Å; L334-Y338 HydrophobicContact CG-CD1 4.09Å; L334-Y338 HydrophobicContact CG-CE1 3.61Å; L334-Y338 VanDerWaalsContact O-CD1 3.3Å; L334-Y338 WeakPolarHBondContact O-CD1 3.48Å; L334-Y338 PolarHBondContact O-N 3.16Å; G335-Y338 PolarHBondContact O-N 3.02Å; E336-Y338 VanDerWaalsContact C-N 3.29Å; E336-Y338 PolarHBondContact O-N 3.4Å; Y338-K340 PolarHBondContact O-N 2.79Å; Y338-I341 PolarHBondContact O-N 2.82Å; Y338-I341 VanDerWaalsContact O-N 3.15Å; Y338-E342 WeakPolarHBondContact O-CB 3.35Å; Y338-E342 PolarHBondContact O-N 2.86Å; Y338-F352 AromaticContact CD1-CD1 3.97Å; Y338-F352 HydrophobicContact CD1-CD1 3.97Å; Y338-F352 HydrophobicContact CD1-CE1 4.17Å; Y338-F352 HydrophobicContact CD2-CB 3.99Å; Y338-F352 AromaticContact CD2-CD1 3.53Å; Y338-F352 HydrophobicContact CD2-CD1 3.53Å; Y338-F352 HydrophobicContact CD2-CE1 4.35Å; Y338-F352 HydrophobicContact CD2-CG 4.04Å; Y338-F352 HydrophobicContact CE1-CD1 4.35Å; Y338-F352 HydrophobicContact CE2-CB 4.09Å; Y338-F352 AromaticContact CE2-CD1 3.96Å; Y338-F352 HydrophobicContact CE2-CD1 3.96Å; Y338-F352 HydrophobicContact CE2-CG 4.46Å; Y338-F352 AromaticContact CG-CD1 3.54Å; Y338-F352 HydrophobicContact CG-CD1 3.54Å; Y338-F352 AromaticContact CG-CE1 3.91Å; Y338-F352 HydrophobicContact CG-CE1 3.91Å; Y338-F352 HydrophobicContact CG-CG 4.41Å; Y338-P353 WeakPolarHBondContact CE2-O 3.33Å; Y338-P353 WeakPolarHBondContact OH-CG 3.48Å; Y338-L355 HydrophobicContact CD2-CD1 4.14Å; Y338-L355 HydrophobicContact CE2-CD1 3.99Å; Y338-M358 WeakPolarHBondContact OH-CB 3.37Å; Y338-M358 VanDerWaalsContact OH-CG 3.28Å; Y338-M358 WeakPolarHBondContact OH-CG 3.34Å
339Q96.4Very high95.1Very high109 Ų10966.1 Ų66.151%0.50934%0.34SS..Hα-helixtrans-59.7-34.8178.2-70.7178.27.700112.8G335 E336 K343G335-Q339 WeakPolarHBondContact O-CG 3.43Å; G335-Q339 PolarHBondContact O-N 2.82Å; G335-Q339 VanDerWaalsContact O-N 3.11Å; E336-Q339 PolarHBondContact O-N 2.8Å; Q339-K343 WeakPolarHBondContact O-CG 3.38Å; Q339-K343 PolarHBondContact O-N 2.84Å
340K96.4Very high94.5Very high96 Ų9665.3 Ų65.342%0.41735%0.354SS..Hα-helixtrans-67.7-48.7175.3-176.9177.9176.3-179.40111.3E336 I337 Y338 E342 K343 E344E336-K340 WeakPolarHBondContact O-CB 3.13Å; E336-K340 PolarHBondContact O-N 3.03Å; I337-K340 PolarHBondContact O-N 3.03Å; Y338-K340 PolarHBondContact O-N 2.79Å; K340-E342 VanDerWaalsContact C-N 3.3Å; K340-E342 PolarHBondContact O-N 2.75Å; K340-K343 PolarHBondContact O-N 3.28Å; K340-E344 WeakPolarHBondContact CE-OE1 3.42Å; K340-E344 HydrophobicContact CG-CG 4.32Å; K340-E344 WeakPolarHBondContact CG-OE1 3.37Å; K340-E344 WeakPolarHBondContact O-CB 3.44Å; K340-E344 WeakPolarHBondContact O-CG 3.22Å; K340-E344 PolarHBondContact O-N 3.19Å
341I96.4Very high94.1Very high1 Ų167.3 Ų67.31%0.00537%0.365CS..Hα-helixtrans-60.2-42.8176.9-68.1168.2000110.4Y308 I309 I337 Y338 K343 E344 H345 I347 F352Y308-I341 HydrophobicContact CD2-CG2 4.43Å; Y308-I341 HydrophobicContact CG-CG2 4.32Å; I309-I341 HydrophobicContact CB-CD1 4.42Å; I309-I341 HydrophobicContact CG1-CD1 3.87Å; I337-I341 HydrophobicContact CG2-CD1 3.82Å; I337-I341 HydrophobicContact CG2-CG1 4.44Å; I337-I341 VanDerWaalsContact O-CG1 3.27Å; I337-I341 WeakPolarHBondContact O-CG1 3.4Å; I337-I341 PolarHBondContact O-N 3.23Å; Y338-I341 PolarHBondContact O-N 2.82Å; Y338-I341 VanDerWaalsContact O-N 3.15Å; I341-K343 PolarHBondContact O-N 3.35Å; I341-E344 PolarHBondContact O-N 2.87Å; I341-H345 WeakPolarHBondContact O-CB 3.28Å; I341-H345 PolarHBondContact O-N 3.18Å; I341-I347 HydrophobicContact CG2-CD1 4.14Å; I341-F352 HydrophobicContact CB-CE1 4.12Å; I341-F352 HydrophobicContact CB-CZ 4.05Å; I341-F352 HydrophobicContact CG2-CE1 3.92Å; I341-F352 HydrophobicContact CG2-CZ 3.74Å
342E95.4Very high93.9Very high64 Ų6468.1 Ų68.130%0.29937%0.368SS..Hα-helixtrans-53.9-51.3177.4-171.2-164152.600111Y338 K340 Q346 I347 P349 F352Y338-E342 WeakPolarHBondContact O-CB 3.35Å; Y338-E342 PolarHBondContact O-N 2.86Å; K340-E342 VanDerWaalsContact C-N 3.3Å; K340-E342 PolarHBondContact O-N 2.75Å; E342-Q346 VanDerWaalsContact O-CA 3.22Å; E342-Q346 WeakPolarHBondContact O-CA 3.41Å; E342-Q346 PolarHBondContact O-N 2.88Å; E342-I347 WeakPolarHBondContact CG-O 3.28Å; E342-I347 PolarHBondContact O-N 3.05Å; E342-P349 WeakPolarHBondContact OE1-CG 3.46Å; E342-F352 HydrophobicContact CB-CE2 4.02Å; E342-F352 HydrophobicContact CB-CZ 4.07Å; E342-F352 HydrophobicContact CG-CE2 4.3Å
343K95.6Very high93.6Very high161 Ų16165.9 Ų65.970%0.735%0.348SS*.Hα-helixtrans-70.7-44.4-179.6-70.3173.9-176.5174.10113Q339 K340 I341 H345Q339-K343 WeakPolarHBondContact O-CG 3.38Å; Q339-K343 PolarHBondContact O-N 2.84Å; K340-K343 PolarHBondContact O-N 3.28Å; I341-K343 PolarHBondContact O-N 3.35Å; K343-H345 VanDerWaalsContact C-N 3.35Å
344E95.2Very high93.3Very high115 Ų11566.4 Ų66.454%0.53735%0.351SS..Hα-helixtrans-67.4-36-176.4-74.7-180-178.400112.1K340 I341K340-E344 WeakPolarHBondContact CE-OE1 3.42Å; K340-E344 HydrophobicContact CG-CG 4.32Å; K340-E344 WeakPolarHBondContact CG-OE1 3.37Å; K340-E344 WeakPolarHBondContact O-CB 3.44Å; K340-E344 WeakPolarHBondContact O-CG 3.22Å; K340-E344 PolarHBondContact O-N 3.19Å; I341-E344 PolarHBondContact O-N 2.87Å
345H93.1Very high93.1Very high71 Ų7169.5 Ų69.533%0.32937%0.367SS..Hα-helixtrans-110.91.7-174.2-62.5-66.1000114.4Y308 I341 K343 I347Y308-H345 AromaticContact CD1-CD2 3.78Å; Y308-H345 AromaticContact CD1-CE1 3.77Å; Y308-H345 AromaticContact CD1-NE2 3.45Å; Y308-H345 WeakPolarHBondContact CD1-NE2 3.47Å; Y308-H345 AromaticContact CE1-CD2 3.97Å; Y308-H345 AromaticContact CE1-CE1 3.41Å; Y308-H345 VanDerWaalsContact CE1-CE1 3.41Å; Y308-H345 WeakPolarHBondContact CE1-CE1 3.2Å; Y308-H345 AromaticContact CE1-CG 3.96Å; Y308-H345 AromaticContact CE1-ND1 3.63Å; Y308-H345 AromaticContact CE1-NE2 3.61Å; Y308-H345 HydrophobicContact CE2-CB 4.31Å; Y308-H345 AromaticContact CG-CD2 3.95Å; Y308-H345 AromaticContact CZ-CG 3.91Å; Y308-H345 AromaticContact CZ-ND1 3.73Å; I341-H345 WeakPolarHBondContact O-CB 3.28Å; I341-H345 PolarHBondContact O-N 3.18Å; K343-H345 VanDerWaalsContact C-N 3.35Å; H345-I347 VanDerWaalsContact C-N 3.35Å; H345-I347 HydrophobicContact CB-CD1 3.77Å; H345-I347 HydrophobicContact CB-CG1 3.79Å; H345-I347 PolarHBondContact O-N 3.28Å
346Q92.5Very high92.8Very high179 Ų17971.3 Ų71.384%0.83638%0.38SS*.THydrogen-bonded Turntrans54.248.6-179.9-57.8176.123.700112.5E342E342-Q346 VanDerWaalsContact O-CA 3.22Å; E342-Q346 WeakPolarHBondContact O-CA 3.41Å; E342-Q346 PolarHBondContact O-N 2.88Å
347I92.4Very high92.4Very high26 Ų2669.3 Ų69.313%0.13337%0.369CS..  trans-96.2142.1-178.4-59.9-179.3000109.2V305 Y308 I341 E342 H345 D351 F352V305-I347 HydrophobicContact CG2-CD1 4.01Å; V305-I347 HydrophobicContact CG2-CG2 3.7Å; Y308-I347 HydrophobicContact CD2-CD1 3.65Å; Y308-I347 HydrophobicContact CE2-CD1 3.78Å; I341-I347 HydrophobicContact CG2-CD1 4.14Å; E342-I347 WeakPolarHBondContact CG-O 3.28Å; E342-I347 PolarHBondContact O-N 3.05Å; H345-I347 VanDerWaalsContact C-N 3.35Å; H345-I347 HydrophobicContact CB-CD1 3.77Å; H345-I347 HydrophobicContact CB-CG1 3.79Å; H345-I347 PolarHBondContact O-N 3.28Å; I347-D351 HydrophobicContact CG2-CB 3.88Å; I347-F352 HydrophobicContact CB-CE2 3.98Å; I347-F352 HydrophobicContact CB-CZ 4.4Å; I347-F352 HydrophobicContact CG2-CD2 4.22Å; I347-F352 HydrophobicContact CG2-CE2 3.65Å; I347-F352 HydrophobicContact CG2-CZ 4.3Å
348S90Very high92.3Very high66 Ų6668.9 Ų68.946%0.46237%0.367SS..  trans-67.7138.6174.9-178.50000111G350 D351 F352S348-G350 PolarHBondContact O-N 3.35Å; S348-G350 VanDerWaalsContact O-N 3.09Å; S348-G350 PolarHBondContact OG-N 3.2Å; S348-D351 PolarHBondContact O-N 3.39Å; S348-F352 WeakPolarHBondContact O-CD2 3.4Å
349P86.8Confident92.3Very high82 Ų8270.6 Ų70.653%0.53238%0.375SS..G310 helixtrans-52.8-31.5173-27.134000113.7E342 D351 F352E342-P349 WeakPolarHBondContact OE1-CG 3.46Å; P349-D351 VanDerWaalsContact C-N 3.27Å; P349-D351 PolarHBondContact O-N 3.39Å; P349-F352 PolarHBondContact O-N 3.14Å
350G84.3Confident92.2Very high69 Ų6972.3 Ų72.371%0.71138%0.384SS*.G310 helixtrans-70.5-17.117900000114.9S348 F352S348-G350 PolarHBondContact O-N 3.35Å; S348-G350 VanDerWaalsContact O-N 3.09Å; S348-G350 PolarHBondContact OG-N 3.2Å; G350-F352 VanDerWaalsContact C-N 3.3Å
351D87.9Confident92Very high45 Ų4570.4 Ų70.424%0.24138%0.378CS..G310 helixtrans-82.9-10.3175.9-66.7-34.5000112.1V305 I347 S348 P349V305-D351 HydrophobicContact CG2-CB 4.05Å; I347-D351 HydrophobicContact CG2-CB 3.88Å; S348-D351 PolarHBondContact O-N 3.39Å; P349-D351 VanDerWaalsContact C-N 3.27Å; P349-D351 PolarHBondContact O-N 3.39Å
352F92.3Very high92Very high27 Ų2770.4 Ų70.412%0.11838%0.377CS..SBendtrans-80.5140.6178.2-74.5-97.4000111.8V305 I309 Y338 I341 E342 I347 S348 P349 G350V305-F352 HydrophobicContact CG1-CD1 3.59Å; V305-F352 HydrophobicContact CG1-CE1 3.8Å; V305-F352 HydrophobicContact CG1-CG 4.03Å; V305-F352 HydrophobicContact CG1-CZ 4.41Å; I309-F352 HydrophobicContact CD1-CD1 4.39Å; Y338-F352 AromaticContact CD1-CD1 3.97Å; Y338-F352 HydrophobicContact CD1-CD1 3.97Å; Y338-F352 HydrophobicContact CD1-CE1 4.17Å; Y338-F352 HydrophobicContact CD2-CB 3.99Å; Y338-F352 AromaticContact CD2-CD1 3.53Å; Y338-F352 HydrophobicContact CD2-CD1 3.53Å; Y338-F352 HydrophobicContact CD2-CE1 4.35Å; Y338-F352 HydrophobicContact CD2-CG 4.04Å; Y338-F352 HydrophobicContact CE1-CD1 4.35Å; Y338-F352 HydrophobicContact CE2-CB 4.09Å; Y338-F352 AromaticContact CE2-CD1 3.96Å; Y338-F352 HydrophobicContact CE2-CD1 3.96Å; Y338-F352 HydrophobicContact CE2-CG 4.46Å; Y338-F352 AromaticContact CG-CD1 3.54Å; Y338-F352 HydrophobicContact CG-CD1 3.54Å; Y338-F352 AromaticContact CG-CE1 3.91Å; Y338-F352 HydrophobicContact CG-CE1 3.91Å; Y338-F352 HydrophobicContact CG-CG 4.41Å; I341-F352 HydrophobicContact CB-CE1 4.12Å; I341-F352 HydrophobicContact CB-CZ 4.05Å; I341-F352 HydrophobicContact CG2-CE1 3.92Å; I341-F352 HydrophobicContact CG2-CZ 3.74Å; E342-F352 HydrophobicContact CB-CE2 4.02Å; E342-F352 HydrophobicContact CB-CZ 4.07Å; E342-F352 HydrophobicContact CG-CE2 4.3Å; I347-F352 HydrophobicContact CB-CE2 3.98Å; I347-F352 HydrophobicContact CB-CZ 4.4Å; I347-F352 HydrophobicContact CG2-CD2 4.22Å; I347-F352 HydrophobicContact CG2-CE2 3.65Å; I347-F352 HydrophobicContact CG2-CZ 4.3Å; S348-F352 WeakPolarHBondContact O-CD2 3.4Å; P349-F352 PolarHBondContact O-N 3.14Å; G350-F352 VanDerWaalsContact C-N 3.3Å
353P91.3Very high91.9Very high21 Ų2171.7 Ų71.714%0.13639%0.387CS..PPolyproline II helixtrans-67.6163.3174.829.4-33.7000111.2L302 I309 Y338 L355 M358L302-P353 HydrophobicContact CD1-CB 4.3Å; I309-P353 HydrophobicContact CD1-CG 4.11Å; Y338-P353 WeakPolarHBondContact CE2-O 3.33Å; Y338-P353 WeakPolarHBondContact OH-CG 3.48Å; P353-L355 PolarHBondContact O-N 2.86Å; P353-M358 HydrophobicContact CG-SD 4.45Å
354N89.2Confident91.8Very high80 Ų8067.4 Ų67.443%0.42839%0.388SS..PPolyproline II helixtrans-59.8124.9177.5178.8-89.8000111A356 K357 M358N354-A356 PolarHBondContact O-N 3.4Å; N354-A356 PolarHBondContact OD1-N 3.2Å; N354-K357 HydrophobicContact CB-CB 4.11Å; N354-K357 PolarHBondContact O-N 3.19Å; N354-K357 PolarHBondContact OD1-N 3.04Å; N354-M358 WeakPolarHBondContact O-CB 3.47Å; N354-M358 PolarHBondContact O-N 3.46Å
355L92.3Very high91.8Very high65 Ų6563.5 Ų63.534%0.3437%0.37SS..Hα-helixtrans-56.7-50.1-174.9-175.570.8000112.6L334 Y338 P353 M358 Q359L334-L355 HydrophobicContact CB-CD1 3.88Å; L334-L355 HydrophobicContact CD2-CD1 3.94Å; L334-L355 HydrophobicContact CG-CD1 3.82Å; Y338-L355 HydrophobicContact CD2-CD1 4.14Å; Y338-L355 HydrophobicContact CE2-CD1 3.99Å; P353-L355 PolarHBondContact O-N 2.86Å; L355-M358 PolarHBondContact O-N 2.93Å; L355-Q359 VanDerWaalsContact O-CG 3.31Å; L355-Q359 WeakPolarHBondContact O-CG 3.43Å; L355-Q359 PolarHBondContact O-N 3.11Å
356A91.3Very high91.7Very high60 Ų6063 Ų6350%0.49637%0.369SS..Hα-helixtrans-64.5-46.7-176.900000111.8N354 M358 Q359 E360N354-A356 PolarHBondContact O-N 3.4Å; N354-A356 PolarHBondContact OD1-N 3.2Å; A356-M358 VanDerWaalsContact C-N 3.3Å; A356-M358 PolarHBondContact O-N 3.11Å; A356-Q359 PolarHBondContact O-N 3.28Å; A356-E360 PolarHBondContact O-N 3.03Å
357K89.1Confident91.8Very high89 Ų8954.6 Ų54.639%0.38733%0.33SS..Hα-helixtrans-58.3-42.7175-172171.4179.6172.70110.8E175 N354 E360 L361E175-K357 IonicContact OE1-NZ 2.7Å; E175-K357 PolarHBondContact OE1-NZ 3.25Å; E175-K357 IonicContact OE2-NZ 3.2Å; E175-K357 PolarHBondContact OE2-NZ 3.38Å; N354-K357 HydrophobicContact CB-CB 4.11Å; N354-K357 PolarHBondContact O-N 3.19Å; N354-K357 PolarHBondContact OD1-N 3.04Å; K357-E360 PolarHBondContact O-N 3.28Å; K357-L361 HydrophobicContact CG-CD1 4.12Å; K357-L361 VanDerWaalsContact O-CG 3.28Å; K357-L361 WeakPolarHBondContact O-CG 3.4Å; K357-L361 PolarHBondContact O-N 2.92Å
358M94.2Very high91.7Very high3 Ų356 Ų562%0.01534%0.34CS..Hα-helixtrans-67.3-40.2178.6-16669.5-172.600112.6F44 I309 L334 Y338 P353 N354 L355 A356 E360 L361 L362F44-M358 HydrophobicContact CB-CE 4.42Å; F44-M358 HydrophobicContact CB-SD 4.37Å; F44-M358 HydrophobicContact CD1-CE 3.26Å; F44-M358 HydrophobicContact CD1-SD 3.64Å; F44-M358 HydrophobicContact CE1-CE 3.45Å; F44-M358 VanDerWaalsContact CE1-CE 3.45Å; F44-M358 HydrophobicContact CE1-SD 4.28Å; F44-M358 HydrophobicContact CG-CE 3.83Å; F44-M358 HydrophobicContact CG-SD 4.28Å; F44-M358 HydrophobicContact CZ-CE 4.15Å; I309-M358 HydrophobicContact CG2-CE 4.38Å; L334-M358 HydrophobicContact CD2-CB 3.98Å; L334-M358 HydrophobicContact CD2-CG 3.88Å; Y338-M358 WeakPolarHBondContact OH-CB 3.37Å; Y338-M358 VanDerWaalsContact OH-CG 3.28Å; Y338-M358 WeakPolarHBondContact OH-CG 3.34Å; P353-M358 HydrophobicContact CG-SD 4.45Å; N354-M358 WeakPolarHBondContact O-CB 3.47Å; N354-M358 PolarHBondContact O-N 3.46Å; L355-M358 PolarHBondContact O-N 2.93Å; A356-M358 VanDerWaalsContact C-N 3.3Å; A356-M358 PolarHBondContact O-N 3.11Å; M358-E360 VanDerWaalsContact C-N 3.33Å; M358-E360 PolarHBondContact O-N 3.13Å; M358-L361 PolarHBondContact O-N 2.84Å; M358-L362 HydrophobicContact CE-CD1 4.12Å; M358-L362 HydrophobicContact CE-CD2 3.97Å; M358-L362 HydrophobicContact CE-CG 3.93Å; M358-L362 HydrophobicContact CG-CD1 3.87Å; M358-L362 HydrophobicContact CG-CG 4.26Å; M358-L362 WeakPolarHBondContact O-CB 3.34Å; M358-L362 WeakPolarHBondContact O-CG 3.47Å; M358-L362 PolarHBondContact O-N 3.28Å
359Q95.8Very high91.8Very high53 Ų5359.4 Ų59.425%0.24835%0.346CS..Hα-helixtrans-60.4-44175.7-74.6176.3-39.500111.5I331 L334 L355 A356 L362 N363I331-Q359 HydrophobicContact CG2-CB 3.82Å; I331-Q359 HydrophobicContact CG2-CG 3.96Å; I331-Q359 WeakPolarHBondContact O-CG 3.45Å; I331-Q359 PolarHBondContact O-NE2 3.39Å; L334-Q359 HydrophobicContact CB-CG 4.19Å; L334-Q359 HydrophobicContact CD2-CG 3.79Å; L355-Q359 VanDerWaalsContact O-CG 3.31Å; L355-Q359 WeakPolarHBondContact O-CG 3.43Å; L355-Q359 PolarHBondContact O-N 3.11Å; A356-Q359 PolarHBondContact O-N 3.28Å; Q359-L362 PolarHBondContact O-N 2.68Å; Q359-N363 PolarHBondContact O-N 3.29Å; Q359-N363 PolarHBondContact O-ND2 3.3Å
360E93.9Very high92.2Very high146 Ų14655.8 Ų55.868%0.68232%0.322SS*.Hα-helixtrans-59.1-52.7175.3-174.1-177.3173.300111.4A356 K357 M358 L362 N363A356-E360 PolarHBondContact O-N 3.03Å; K357-E360 PolarHBondContact O-N 3.28Å; M358-E360 VanDerWaalsContact C-N 3.33Å; M358-E360 PolarHBondContact O-N 3.13Å; E360-L362 VanDerWaalsContact C-N 3.34Å; E360-L362 PolarHBondContact O-N 3.12Å; E360-N363 WeakPolarHBondContact O-CB 3.4Å; E360-N363 PolarHBondContact O-N 3.39Å; E360-N363 VanDerWaalsContact O-N 3.14Å
361L93.4Very high92.7Very high56 Ų5653.6 Ų53.629%0.29330%0.297SS..Hα-helixtrans-60.7-41.4-179.7-69167.2000112.2F44 K357 M358 N363 G364 Q365F44-L361 HydrophobicContact CB-CD1 4.48Å; F44-L361 HydrophobicContact CD1-CB 3.77Å; F44-L361 HydrophobicContact CD1-CD1 4.33Å; F44-L361 HydrophobicContact CE1-CB 4.15Å; F44-L361 VanDerWaalsContact O-CD1 3.3Å; F44-L361 WeakPolarHBondContact O-CD1 3.47Å; K357-L361 HydrophobicContact CG-CD1 4.12Å; K357-L361 VanDerWaalsContact O-CG 3.28Å; K357-L361 WeakPolarHBondContact O-CG 3.4Å; K357-L361 PolarHBondContact O-N 2.92Å; M358-L361 PolarHBondContact O-N 2.84Å; L361-N363 VanDerWaalsContact C-N 3.26Å; L361-N363 PolarHBondContact O-N 3.26Å; L361-G364 PolarHBondContact O-N 3.31Å; L361-Q365 WeakPolarHBondContact O-CG 3.42Å
362L96Very high93.1Very high0 Ų055.2 Ų55.20%031%0.312CS..Hα-helixtrans-64.6-26.7178.7-75.9168.5000113.3F44 I310 L313 K327 I331 L334 M358 Q359 E360 G364 Q365 F367 F370F44-L362 HydrophobicContact CE1-CD2 3.55Å; F44-L362 HydrophobicContact CE1-CG 3.91Å; F44-L362 HydrophobicContact CZ-CD2 3.76Å; I310-L362 HydrophobicContact CD1-CD2 4.42Å; L313-L362 HydrophobicContact CD1-CD1 3.93Å; L313-L362 HydrophobicContact CD1-CD2 3.77Å; K327-L362 WeakPolarHBondContact CE-O 3.48Å; I331-L362 HydrophobicContact CD1-CB 4.01Å; I331-L362 HydrophobicContact CG1-CB 3.99Å; L334-L362 HydrophobicContact CD1-CD1 4.12Å; L334-L362 HydrophobicContact CD2-CD1 3.75Å; M358-L362 HydrophobicContact CE-CD1 4.12Å; M358-L362 HydrophobicContact CE-CD2 3.97Å; M358-L362 HydrophobicContact CE-CG 3.93Å; M358-L362 HydrophobicContact CG-CD1 3.87Å; M358-L362 HydrophobicContact CG-CG 4.26Å; M358-L362 WeakPolarHBondContact O-CB 3.34Å; M358-L362 WeakPolarHBondContact O-CG 3.47Å; M358-L362 PolarHBondContact O-N 3.28Å; Q359-L362 PolarHBondContact O-N 2.68Å; E360-L362 VanDerWaalsContact C-N 3.34Å; E360-L362 PolarHBondContact O-N 3.12Å; L362-G364 PolarHBondContact O-N 3.08Å; L362-Q365 PolarHBondContact O-N 3.41Å; L362-Q365 VanDerWaalsContact O-N 3.1Å; L362-F367 HydrophobicContact CB-CE1 4.04Å; L362-F367 HydrophobicContact CB-CZ 4.04Å; L362-F367 HydrophobicContact CD1-CZ 4.44Å; L362-F367 HydrophobicContact CD2-CE1 3.64Å; L362-F367 HydrophobicContact CD2-CZ 3.79Å; L362-F367 HydrophobicContact CG-CE1 4.4Å; L362-F367 HydrophobicContact CG-CZ 4.31Å; L362-F370 HydrophobicContact CD2-CE2 4.15Å; L362-F370 HydrophobicContact CD2-CZ 3.98Å
363N94.4Very high93.3Very high92 Ų9257.4 Ų57.449%0.49233%0.325SS..Hα-helixtrans-60.5-35.6176.1-80.1-53.2000111.8K327 I331 Q359 E360 L361 Q365K327-N363 PolarHBondContact NZ-O 3.21Å; I331-N363 WeakPolarHBondContact CD1-OD1 3.34Å; Q359-N363 PolarHBondContact O-N 3.29Å; Q359-N363 PolarHBondContact O-ND2 3.3Å; E360-N363 WeakPolarHBondContact O-CB 3.4Å; E360-N363 PolarHBondContact O-N 3.39Å; E360-N363 VanDerWaalsContact O-N 3.14Å; L361-N363 VanDerWaalsContact C-N 3.26Å; L361-N363 PolarHBondContact O-N 3.26Å; N363-Q365 VanDerWaalsContact C-N 3.26Å; N363-Q365 PolarHBondContact O-N 3.09Å
364G92.3Very high93.6Very high70 Ų7060.9 Ų60.972%0.72234%0.338SS*.THydrogen-bonded Turntrans-76-6.1177.700000115.1L361 L362L361-G364 PolarHBondContact O-N 3.31Å; L362-G364 PolarHBondContact O-N 3.08Å
365Q94.4Very high93.9Very high34 Ų3460.5 Ų60.516%0.15934%0.339CS..SBendtrans-105148.7-166.1-63-69-19.300113.3F44 K327 L361 L362 N363 F367 F370F44-Q365 HydrophobicContact CE1-CG 3.91Å; F44-Q365 HydrophobicContact CE2-CG 4.49Å; F44-Q365 HydrophobicContact CZ-CB 4.33Å; F44-Q365 HydrophobicContact CZ-CG 3.62Å; K327-Q365 VanDerWaalsContact CE-O 3.29Å; K327-Q365 WeakPolarHBondContact CE-O 3.43Å; K327-Q365 PolarHBondContact NZ-O 3.48Å; L361-Q365 WeakPolarHBondContact O-CG 3.42Å; L362-Q365 PolarHBondContact O-N 3.41Å; L362-Q365 VanDerWaalsContact O-N 3.1Å; N363-Q365 VanDerWaalsContact C-N 3.26Å; N363-Q365 PolarHBondContact O-N 3.09Å; Q365-F367 HydrophobicContact CB-CE1 4.48Å; Q365-F370 HydrophobicContact CB-CE1 4.19Å; Q365-F370 HydrophobicContact CB-CZ 3.95Å
366D92.1Very high94.1Very high61 Ų6165.7 Ų65.733%0.32636%0.359SS..  trans-95.1103.5175.2178.90.2000110.6T368 K369D366-T368 VanDerWaalsContact CG-OG1 3.25Å; D366-T368 PolarHBondContact O-N 2.86Å; D366-T368 VanDerWaalsContact O-N 3.15Å; D366-T368 WeakPolarHBondContact OD1-CB 3.49Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.33Å; D366-T368 PolarHBondContact OD1-N 3.29Å; D366-T368 PolarHBondContact OD1-OG1 3.19Å; D366-T368 PolarHBondContact OD2-OG1 2.89Å; D366-K369 HydrophobicContact CB-CD 4.15Å; D366-K369 HydrophobicContact CB-CG 4.32Å; D366-K369 WeakPolarHBondContact O-CB 3.5Å; D366-K369 PolarHBondContact O-N 3.4Å; D366-K369 VanDerWaalsContact O-N 3.11Å; D366-K369 WeakPolarHBondContact OD2-CE 3.35Å; D366-K369 IonicContact OD2-NZ 3.93Å
367F94.4Very high94.4Very high1 Ų164.8 Ų64.80%0.00435%0.346CS..G310 helixtrans-66.9-17-176.3-74.625.6000112.6L313 M317 K327 L330 I331 L362 Q365 K369 F370L313-F367 HydrophobicContact CB-CD2 4.16Å; L313-F367 HydrophobicContact CB-CE2 4.08Å; L313-F367 HydrophobicContact CD1-CE2 3.97Å; L313-F367 HydrophobicContact CD1-CZ 3.95Å; L313-F367 HydrophobicContact CD2-CE2 3.91Å; L313-F367 HydrophobicContact CG-CE2 4.21Å; M317-F367 HydrophobicContact CE-CB 3.83Å; M317-F367 HydrophobicContact CG-CB 3.84Å; M317-F367 HydrophobicContact CG-CD2 4.09Å; M317-F367 HydrophobicContact SD-CB 3.85Å; M317-F367 HydrophobicContact SD-CD2 3.83Å; M317-F367 HydrophobicContact SD-CG 4.31Å; K327-F367 HydrophobicContact CB-CD2 4.49Å; K327-F367 HydrophobicContact CD-CD1 4.26Å; K327-F367 HydrophobicContact CD-CE1 4.4Å; K327-F367 HydrophobicContact CG-CD1 4.27Å; K327-F367 HydrophobicContact CG-CD2 4.18Å; K327-F367 HydrophobicContact CG-CE1 4.18Å; K327-F367 HydrophobicContact CG-CE2 4.08Å; K327-F367 HydrophobicContact CG-CG 4.28Å; K327-F367 HydrophobicContact CG-CZ 4.09Å; L330-F367 HydrophobicContact CB-CE2 4.25Å; L330-F367 HydrophobicContact CD1-CD2 4.2Å; L330-F367 HydrophobicContact CD1-CE2 4.19Å; I331-F367 HydrophobicContact CD1-CE1 4.49Å; I331-F367 HydrophobicContact CD1-CZ 4.05Å; I331-F367 HydrophobicContact CG1-CE2 4.45Å; I331-F367 HydrophobicContact CG1-CZ 3.82Å; L362-F367 HydrophobicContact CB-CE1 4.04Å; L362-F367 HydrophobicContact CB-CZ 4.04Å; L362-F367 HydrophobicContact CD1-CZ 4.44Å; L362-F367 HydrophobicContact CD2-CE1 3.64Å; L362-F367 HydrophobicContact CD2-CZ 3.79Å; L362-F367 HydrophobicContact CG-CE1 4.4Å; L362-F367 HydrophobicContact CG-CZ 4.31Å; Q365-F367 HydrophobicContact CB-CE1 4.48Å; F367-K369 PolarHBondContact O-N 3.36Å; F367-F370 HydrophobicContact CB-CD2 4Å; F367-F370 HydrophobicContact CB-CE2 4.04Å; F367-F370 HydrophobicContact CD1-CD2 4.05Å; F367-F370 HydrophobicContact CD1-CE1 4.47Å; F367-F370 AromaticContact CD1-CE2 3.21Å; F367-F370 HydrophobicContact CD1-CE2 3.21Å; F367-F370 AromaticContact CD1-CZ 3.47Å; F367-F370 HydrophobicContact CD1-CZ 3.47Å; F367-F370 VanDerWaalsContact CD1-CZ 3.47Å; F367-F370 HydrophobicContact CD2-CD2 4.48Å; F367-F370 HydrophobicContact CD2-CE2 4.1Å; F367-F370 AromaticContact CE1-CE2 3.58Å; F367-F370 HydrophobicContact CE1-CE2 3.58Å; F367-F370 AromaticContact CE1-CZ 3.78Å; F367-F370 HydrophobicContact CE1-CZ 3.78Å; F367-F370 HydrophobicContact CE2-CE2 4.41Å; F367-F370 AromaticContact CG-CD2 3.92Å; F367-F370 HydrophobicContact CG-CD2 3.92Å; F367-F370 AromaticContact CG-CE2 3.5Å; F367-F370 HydrophobicContact CG-CE2 3.5Å; F367-F370 HydrophobicContact CG-CZ 4.19Å; F367-F370 HydrophobicContact CZ-CE2 4.17Å; F367-F370 WeakPolarHBondContact O-CB 3.31Å; F367-F370 PolarHBondContact O-N 2.96Å
368T89.3Confident94.8Very high55 Ų5560.9 Ų60.934%0.33733%0.329SS..G310 helixtrans-68.8-28.717671.40000111.9K314 M317 K323 D366 F370K314-T368 PolarHBondContact NZ-O 3.43Å; M317-T368 HydrophobicContact CE-CG2 4.49Å; K323-T368 HydrophobicContact CD-CG2 3.82Å; D366-T368 VanDerWaalsContact CG-OG1 3.25Å; D366-T368 PolarHBondContact O-N 2.86Å; D366-T368 VanDerWaalsContact O-N 3.15Å; D366-T368 WeakPolarHBondContact OD1-CB 3.49Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.33Å; D366-T368 PolarHBondContact OD1-N 3.29Å; D366-T368 PolarHBondContact OD1-OG1 3.19Å; D366-T368 PolarHBondContact OD2-OG1 2.89Å; T368-F370 VanDerWaalsContact C-N 3.31Å
369K92.2Very high94.9Very high138 Ų13866.1 Ų66.160%0.635%0.354SS*.G310 helixtrans-81.5-7.8177.8-63.5179.5-177.21720113.6D366 F367D366-K369 HydrophobicContact CB-CD 4.15Å; D366-K369 HydrophobicContact CB-CG 4.32Å; D366-K369 WeakPolarHBondContact O-CB 3.5Å; D366-K369 PolarHBondContact O-N 3.4Å; D366-K369 VanDerWaalsContact O-N 3.11Å; D366-K369 WeakPolarHBondContact OD2-CE 3.35Å; D366-K369 IonicContact OD2-NZ 3.93Å; F367-K369 PolarHBondContact O-N 3.36Å
370F95.8Very high95Very high7 Ų765 Ų653%0.03135%0.353CS..PPolyproline II helixtrans-65.4139.8177.3-68.7-10.1000111.6F44 I310 L313 K314 L362 Q365 F367 T368F44-F370 HydrophobicContact CZ-CE1 4.44Å; F44-F370 HydrophobicContact CZ-CZ 4.16Å; I310-F370 HydrophobicContact CD1-CD1 4.49Å; I310-F370 HydrophobicContact CD1-CD2 4.19Å; I310-F370 HydrophobicContact CD1-CE1 4.12Å; I310-F370 HydrophobicContact CD1-CE2 3.78Å; I310-F370 HydrophobicContact CD1-CZ 3.75Å; I310-F370 HydrophobicContact CG2-CB 3.69Å; I310-F370 HydrophobicContact CG2-CD1 4.08Å; I310-F370 HydrophobicContact CG2-CD2 3.96Å; I310-F370 HydrophobicContact CG2-CG 3.66Å; L313-F370 HydrophobicContact CB-CD2 4.26Å; L313-F370 HydrophobicContact CB-CE2 4.36Å; L313-F370 HydrophobicContact CD1-CE2 4.13Å; K314-F370 HydrophobicContact CB-CB 3.93Å; K314-F370 HydrophobicContact CD-CB 4.23Å; K314-F370 WeakPolarHBondContact CD-O 3.29Å; K314-F370 WeakPolarHBondContact CE-O 3.36Å; K314-F370 HydrophobicContact CG-CB 4.38Å; K314-F370 WeakPolarHBondContact CG-O 3.41Å; L362-F370 HydrophobicContact CD2-CE2 4.15Å; L362-F370 HydrophobicContact CD2-CZ 3.98Å; Q365-F370 HydrophobicContact CB-CE1 4.19Å; Q365-F370 HydrophobicContact CB-CZ 3.95Å; F367-F370 HydrophobicContact CB-CD2 4Å; F367-F370 HydrophobicContact CB-CE2 4.04Å; F367-F370 HydrophobicContact CD1-CD2 4.05Å; F367-F370 HydrophobicContact CD1-CE1 4.47Å; F367-F370 AromaticContact CD1-CE2 3.21Å; F367-F370 HydrophobicContact CD1-CE2 3.21Å; F367-F370 AromaticContact CD1-CZ 3.47Å; F367-F370 HydrophobicContact CD1-CZ 3.47Å; F367-F370 VanDerWaalsContact CD1-CZ 3.47Å; F367-F370 HydrophobicContact CD2-CD2 4.48Å; F367-F370 HydrophobicContact CD2-CE2 4.1Å; F367-F370 AromaticContact CE1-CE2 3.58Å; F367-F370 HydrophobicContact CE1-CE2 3.58Å; F367-F370 AromaticContact CE1-CZ 3.78Å; F367-F370 HydrophobicContact CE1-CZ 3.78Å; F367-F370 HydrophobicContact CE2-CE2 4.41Å; F367-F370 AromaticContact CG-CD2 3.92Å; F367-F370 HydrophobicContact CG-CD2 3.92Å; F367-F370 AromaticContact CG-CE2 3.5Å; F367-F370 HydrophobicContact CG-CE2 3.5Å; F367-F370 HydrophobicContact CG-CZ 4.19Å; F367-F370 HydrophobicContact CZ-CE2 4.17Å; F367-F370 WeakPolarHBondContact O-CB 3.31Å; F367-F370 PolarHBondContact O-N 2.96Å; T368-F370 VanDerWaalsContact C-N 3.31Å
371A95Very high95.1Very high22 Ų2258 Ų5818%0.18232%0.321CS..PPolyproline II helixtrans-76.2145.9176.900000110.8A38 Y39A38-A371 WeakPolarHBondContact O-CB 3.45Å; Y39-A371 HydrophobicContact CD1-CB 4.38Å; Y39-A371 HydrophobicContact CE1-CB 4.2Å
372S96.1Very high95.2Very high80 Ų8059.2 Ų59.256%0.55933%0.325SS*.PPolyproline II helixtrans-70.2160.7164.258.10000110.5K374S372-K374 PolarHBondContact O-N 3.47Å
373L96.1Very high95.1Very high73 Ų7362.4 Ų62.438%0.38234%0.342SS..PPolyproline II helixtrans-56.3132.2177.2-160.571.4000111.5Y39 Y308 S311 P375 L378Y39-L373 WeakPolarHBondContact OH-CA 3.12Å; Y308-L373 HydrophobicContact CD1-CD1 4.02Å; Y308-L373 HydrophobicContact CE1-CD1 4.27Å; S311-L373 WeakPolarHBondContact OG-CA 3.41Å; S311-L373 VanDerWaalsContact OG-CD1 3.23Å; S311-L373 WeakPolarHBondContact OG-CD1 3.3Å; S311-L373 PolarHBondContact OG-N 2.73Å; L373-P375 WeakPolarHBondContact O-CD 3.32Å; L373-L378 HydrophobicContact CD1-CD1 3.57Å; L373-L378 HydrophobicContact CD2-CD1 4.45Å; L373-L378 HydrophobicContact CG-CD1 4.1Å
374K97.6Very high95.2Very high93 Ų9358 Ų5840%0.40432%0.319SS..  trans-117.689.7179.2-64.4179.9-176.6174.30108.7A38 Y39 S372 K376 L377A38-K374 HydrophobicContact CB-CD 4.4Å; Y39-K374 PolarHBondContact OH-N 3.31Å; S372-K374 PolarHBondContact O-N 3.47Å; K374-K376 VanDerWaalsContact C-N 3.3Å; K374-K376 PolarHBondContact O-N 3.24Å; K374-L377 HydrophobicContact CB-CB 4.48Å; K374-L377 HydrophobicContact CB-CD1 4.04Å; K374-L377 HydrophobicContact CB-CG 4.16Å; K374-L377 HydrophobicContact CD-CD1 3.68Å; K374-L377 HydrophobicContact CD-CG 4.49Å; K374-L377 PolarHBondContact O-N 3.03Å; K374-L377 VanDerWaalsContact O-N 3.1Å
375P96.5Very high95.3Very high72 Ų7256.8 Ų56.847%0.46830%0.295SS..Hα-helixtrans-55-40.9-173.3-28.735.7000113.9L373 L377 L378 E379L373-P375 WeakPolarHBondContact O-CD 3.32Å; P375-L377 VanDerWaalsContact C-N 3.25Å; P375-L377 PolarHBondContact O-N 2.8Å; P375-L377 VanDerWaalsContact O-N 3.16Å; P375-L378 WeakPolarHBondContact O-CB 3.25Å; P375-L378 PolarHBondContact O-N 2.89Å; P375-E379 WeakPolarHBondContact O-CG 3.32Å; P375-E379 PolarHBondContact O-N 3.23Å
376K97.1Very high95.1Very high174 Ų17458.3 Ų58.376%0.75731%0.314SS*.Hα-helixtrans-56.4-34.5179.2-67.1-176.8177.6-179.80114.3K374 A380K374-K376 VanDerWaalsContact C-N 3.3Å; K374-K376 PolarHBondContact O-N 3.24Å; K376-A380 PolarHBondContact O-N 3.08Å
377L97.6Very high95.1Very high41 Ų4159.4 Ų59.422%0.21532%0.32CS..Hα-helixtrans-74.9-37.5178.3-63.1-177.9000111.2P34 L35 A38 K374 P375 A380 V381P34-L377 HydrophobicContact CB-CD2 4.02Å; L35-L377 HydrophobicContact CD1-CB 3.68Å; A38-L377 HydrophobicContact CB-CD1 3.71Å; K374-L377 HydrophobicContact CB-CB 4.48Å; K374-L377 HydrophobicContact CB-CD1 4.04Å; K374-L377 HydrophobicContact CB-CG 4.16Å; K374-L377 HydrophobicContact CD-CD1 3.68Å; K374-L377 HydrophobicContact CD-CG 4.49Å; K374-L377 PolarHBondContact O-N 3.03Å; K374-L377 VanDerWaalsContact O-N 3.1Å; P375-L377 VanDerWaalsContact C-N 3.25Å; P375-L377 PolarHBondContact O-N 2.8Å; P375-L377 VanDerWaalsContact O-N 3.16Å; L377-A380 PolarHBondContact O-N 3.21Å; L377-V381 PolarHBondContact O-N 3.14Å
378L96.4Very high95Very high7 Ų760.6 Ų60.64%0.03733%0.326CS..Hα-helixtrans-67.4-45.9175.2-75.5169.6000111.4L35 K304 A307 Y308 L373 P375 A380 V381 E382L35-L378 HydrophobicContact CD1-CD2 4.02Å; L35-L378 HydrophobicContact CD1-CG 4.2Å; L35-L378 HydrophobicContact CD2-CD2 4.23Å; K304-L378 HydrophobicContact CB-CD2 4.29Å; K304-L378 HydrophobicContact CG-CD2 4.06Å; A307-L378 HydrophobicContact CB-CD2 4.15Å; Y308-L378 HydrophobicContact CD1-CD1 4.32Å; Y308-L378 HydrophobicContact CE1-CD1 3.57Å; L373-L378 HydrophobicContact CD1-CD1 3.57Å; L373-L378 HydrophobicContact CD2-CD1 4.45Å; L373-L378 HydrophobicContact CG-CD1 4.1Å; P375-L378 WeakPolarHBondContact O-CB 3.25Å; P375-L378 PolarHBondContact O-N 2.89Å; L378-A380 PolarHBondContact O-N 3.19Å; L378-V381 PolarHBondContact O-N 3.39Å; L378-V381 VanDerWaalsContact O-N 3.1Å; L378-E382 WeakPolarHBondContact O-CB 3.47Å; L378-E382 WeakPolarHBondContact O-CG 3.24Å; L378-E382 PolarHBondContact O-N 3.32Å
379E96.5Very high95Very high114 Ų11458.6 Ų58.653%0.53331%0.313SS..Hα-helixtrans-56.3-38.9175.1-73.1168.9-164.800111.4P375 E382 D383P375-E379 WeakPolarHBondContact O-CG 3.32Å; P375-E379 PolarHBondContact O-N 3.23Å; E379-E382 PolarHBondContact O-N 2.85Å; E379-D383 VanDerWaalsContact O-CB 3.29Å; E379-D383 WeakPolarHBondContact O-CB 3.46Å; E379-D383 PolarHBondContact O-N 2.51Å
380A97.6Very high94.9Very high29 Ų2954.9 Ų54.924%0.2431%0.308CS..Hα-helixtrans-63.9-43.2176.500000112.4K376 L377 L378 M384K376-A380 PolarHBondContact O-N 3.08Å; L377-A380 PolarHBondContact O-N 3.21Å; L378-A380 PolarHBondContact O-N 3.19Å; A380-M384 WeakPolarHBondContact O-CB 3.33Å; A380-M384 PolarHBondContact O-N 3.17Å
381V97.1Very high94.4Very high0 Ų061.5 Ų61.50%033%0.333CS..Hα-helixtrans-71.5-34.1176.8177.70000111.6K31 L32 L35 A300 K304 L377 L378 M384 L385K31-V381 VanDerWaalsContact O-CG2 3.26Å; K31-V381 WeakPolarHBondContact O-CG2 3.23Å; L32-V381 HydrophobicContact CD1-CG1 4.4Å; L32-V381 HydrophobicContact CD1-CG2 4.17Å; L35-V381 HydrophobicContact CB-CG2 4.11Å; L35-V381 HydrophobicContact CD2-CB 4.35Å; L35-V381 HydrophobicContact CD2-CG2 3.78Å; L35-V381 HydrophobicContact CG-CG2 4.5Å; A300-V381 HydrophobicContact CB-CG1 4.01Å; K304-V381 HydrophobicContact CD-CG1 4.03Å; K304-V381 HydrophobicContact CG-CB 4.42Å; K304-V381 HydrophobicContact CG-CG1 3.84Å; L377-V381 PolarHBondContact O-N 3.14Å; L378-V381 PolarHBondContact O-N 3.39Å; L378-V381 VanDerWaalsContact O-N 3.1Å; V381-M384 HydrophobicContact CG1-CE 4.19Å; V381-M384 WeakPolarHBondContact O-CB 3.44Å; V381-M384 PolarHBondContact O-N 3.3Å; V381-L385 HydrophobicContact CG1-CD1 4.22Å; V381-L385 WeakPolarHBondContact O-CG 3.28Å; V381-L385 PolarHBondContact O-N 3.42Å
382E94.6Very high94.1Very high80 Ų8060.5 Ų60.537%0.37432%0.324SS..Hα-helixtrans-65.2-45.7173.7-76.6175.6174.100112.1K304 L378 E379 M384 L385 A386K304-E382 HydrophobicContact CD-CG 4.33Å; K304-E382 WeakPolarHBondContact CE-OE1 3.42Å; K304-E382 IonicContact NZ-OE1 2.98Å; K304-E382 PolarHBondContact NZ-OE1 2.87Å; L378-E382 WeakPolarHBondContact O-CB 3.47Å; L378-E382 WeakPolarHBondContact O-CG 3.24Å; L378-E382 PolarHBondContact O-N 3.32Å; E379-E382 PolarHBondContact O-N 2.85Å; E382-M384 VanDerWaalsContact C-N 3.3Å; E382-M384 PolarHBondContact O-N 3.12Å; E382-L385 PolarHBondContact O-N 3.27Å; E382-A386 VanDerWaalsContact O-CB 3.29Å; E382-A386 WeakPolarHBondContact O-CB 3.48Å; E382-A386 PolarHBondContact O-N 2.89Å
383D95.1Very high93.7Very high68 Ų6859 Ų5936%0.36431%0.309SS..Hα-helixtrans-61.7-39.7173.9-178.859.8000111.5K31 E379 A386 N387 D388K31-D383 IonicContact NZ-OD2 2.7Å; K31-D383 PolarHBondContact NZ-OD2 2.69Å; E379-D383 VanDerWaalsContact O-CB 3.29Å; E379-D383 WeakPolarHBondContact O-CB 3.46Å; E379-D383 PolarHBondContact O-N 2.51Å; D383-A386 PolarHBondContact O-N 3.41Å; D383-N387 WeakPolarHBondContact O-CB 3.27Å; D383-N387 PolarHBondContact O-N 3.25Å; D383-N387 PolarHBondContact OD1-ND2 2.92Å; D383-D388 PolarHBondContact O-N 2.97Å
384M95.5Very high93.3Very high0 Ų057.5 Ų57.50%031%0.307CS..Iπ-helixtrans-55.3-55.1172.2-172.5-174.97500111L27 K31 L32 A300 A380 V381 E382 A386 D388 I389L27-M384 HydrophobicContact CB-CG 4.32Å; L27-M384 HydrophobicContact CB-SD 3.99Å; L27-M384 HydrophobicContact CD1-CG 4.08Å; L27-M384 HydrophobicContact CD2-CG 4.34Å; L27-M384 HydrophobicContact CG-CG 4.49Å; K31-M384 HydrophobicContact CB-CB 4.35Å; K31-M384 HydrophobicContact CB-SD 4.05Å; K31-M384 HydrophobicContact CD-CB 3.77Å; K31-M384 HydrophobicContact CD-CG 4.22Å; L32-M384 HydrophobicContact CB-CE 4.44Å; L32-M384 HydrophobicContact CB-SD 4.45Å; A300-M384 HydrophobicContact CB-CE 3.57Å; A380-M384 WeakPolarHBondContact O-CB 3.33Å; A380-M384 PolarHBondContact O-N 3.17Å; V381-M384 HydrophobicContact CG1-CE 4.19Å; V381-M384 WeakPolarHBondContact O-CB 3.44Å; V381-M384 PolarHBondContact O-N 3.3Å; E382-M384 VanDerWaalsContact C-N 3.3Å; E382-M384 PolarHBondContact O-N 3.12Å; M384-A386 PolarHBondContact O-N 3.26Å; M384-D388 WeakPolarHBondContact CA-OD2 3.22Å; M384-D388 HydrophobicContact CG-CB 4.46Å; M384-D388 PolarHBondContact O-N 3.48Å; M384-D388 VanDerWaalsContact O-N 3.11Å; M384-I389 WeakPolarHBondContact O-CG1 3.4Å; M384-I389 PolarHBondContact O-N 2.84Å
385L93.6Very high92.7Very high43 Ų4355.1 Ų55.123%0.22530%0.298CS..Iπ-helixtrans-64.7-37.5-176.9-72.4173.1000112.9I297 A300 K304 V381 E382 I389I297-L385 HydrophobicContact CB-CD2 4.38Å; I297-L385 HydrophobicContact CG1-CD2 4.26Å; I297-L385 HydrophobicContact CG2-CD2 4.02Å; A300-L385 HydrophobicContact CB-CD1 4.34Å; A300-L385 HydrophobicContact CB-CD2 4Å; A300-L385 HydrophobicContact CB-CG 4.36Å; K304-L385 HydrophobicContact CD-CD1 4.17Å; V381-L385 HydrophobicContact CG1-CD1 4.22Å; V381-L385 WeakPolarHBondContact O-CG 3.28Å; V381-L385 PolarHBondContact O-N 3.42Å; E382-L385 PolarHBondContact O-N 3.27Å; L385-I389 HydrophobicContact CD2-CG1 4.4Å
386A91.6Very high92.3Very high67 Ų6751.8 Ų51.855%0.55428%0.276SS*.Iπ-helixtrans-81.4-40.8-176.600000113.2E382 D383 M384E382-A386 VanDerWaalsContact O-CB 3.29Å; E382-A386 WeakPolarHBondContact O-CB 3.48Å; E382-A386 PolarHBondContact O-N 2.89Å; D383-A386 PolarHBondContact O-N 3.41Å; M384-A386 PolarHBondContact O-N 3.26Å
387N91.4Very high91.8Very high84 Ų8450.1 Ų50.145%0.44927%0.265SS..Iπ-helixtrans-115.1-46.2-167.5-63.6-51.4000113.6D383D383-N387 WeakPolarHBondContact O-CB 3.27Å; D383-N387 PolarHBondContact O-N 3.25Å; D383-N387 PolarHBondContact OD1-ND2 2.92Å
388D92Very high91.2Very high25 Ų2554.8 Ų54.813%0.13429%0.286CS..Iπ-helixtrans-75.9-40.2-174.6-63-47.4000112.5L27 K31 D383 M384 A390 R391 L392L27-D388 HydrophobicContact CD1-CB 3.73Å; L27-D388 HydrophobicContact CD2-CB 3.78Å; L27-D388 HydrophobicContact CG-CB 4.43Å; K31-D388 WeakPolarHBondContact CE-OD2 3.37Å; K31-D388 IonicContact NZ-OD2 3.41Å; K31-D388 PolarHBondContact NZ-OD2 2.78Å; D383-D388 PolarHBondContact O-N 2.97Å; M384-D388 WeakPolarHBondContact CA-OD2 3.22Å; M384-D388 HydrophobicContact CG-CB 4.46Å; M384-D388 PolarHBondContact O-N 3.48Å; M384-D388 VanDerWaalsContact O-N 3.11Å; D388-A390 VanDerWaalsContact C-N 3.26Å; D388-A390 PolarHBondContact O-N 3.03Å; D388-R391 WeakPolarHBondContact O-CB 3.4Å; D388-R391 PolarHBondContact O-N 3.41Å; D388-R391 VanDerWaalsContact O-N 3.09Å; D388-L392 PolarHBondContact O-N 2.98Å
389I90.8Very high90.5Very high13 Ų1357 Ų577%0.06730%0.296CS..Hα-helixtrans-58.1-40.5176.6-66.8-63.5000110.8L293 I297 M384 L385 R391 L392 M393L293-I389 HydrophobicContact CD1-CD1 3.4Å; L293-I389 VanDerWaalsContact CD1-CD1 3.4Å; L293-I389 HydrophobicContact CD1-CG2 4.31Å; I297-I389 HydrophobicContact CD1-CD1 4.3Å; I297-I389 HydrophobicContact CD1-CG2 3.63Å; I297-I389 HydrophobicContact CG1-CD1 3.8Å; I297-I389 HydrophobicContact CG1-CG1 4.14Å; I297-I389 HydrophobicContact CG1-CG2 4.18Å; M384-I389 WeakPolarHBondContact O-CG1 3.4Å; M384-I389 PolarHBondContact O-N 2.84Å; L385-I389 HydrophobicContact CD2-CG1 4.4Å; I389-R391 VanDerWaalsContact C-N 3.26Å; I389-R391 PolarHBondContact O-N 3.08Å; I389-L392 PolarHBondContact O-N 2.85Å; I389-M393 HydrophobicContact CG2-CG 4.3Å; I389-M393 WeakPolarHBondContact O-CB 3.33Å; I389-M393 WeakPolarHBondContact O-CG 3.47Å; I389-M393 PolarHBondContact O-N 3.3Å
390A88.2Confident89.9Confident60 Ų6053 Ų5350%0.49628%0.277SS..Hα-helixtrans-60.7-35.8178.100000112.5D388 A394D388-A390 VanDerWaalsContact C-N 3.26Å; D388-A390 PolarHBondContact O-N 3.03Å; A390-A394 PolarHBondContact O-N 3.02Å
391R87.1Confident89.1Confident147 Ų14756.3 Ų56.356%0.55530%0.298SS*.Hα-helixtrans-71.5-45.2175.7-63.9177.6-175.3176.73.4111.4D388 I389 M393 A394 M395D388-R391 WeakPolarHBondContact O-CB 3.4Å; D388-R391 PolarHBondContact O-N 3.41Å; D388-R391 VanDerWaalsContact O-N 3.09Å; I389-R391 VanDerWaalsContact C-N 3.26Å; I389-R391 PolarHBondContact O-N 3.08Å; R391-M393 VanDerWaalsContact C-N 3.3Å; R391-M393 PolarHBondContact O-N 2.78Å; R391-A394 WeakPolarHBondContact O-CB 3.4Å; R391-A394 PolarHBondContact O-N 3.28Å; R391-A394 VanDerWaalsContact O-N 3.1Å; R391-M395 PolarHBondContact O-N 3.27Å
392L88.2Confident88.3Confident0 Ų060.5 Ų60.50%033%0.333CS..Hα-helixtrans-61.4-38.9175.9-73.7-178000111.9F17 L24 L27 L293 D388 I389 A394 M395 V396F17-L392 HydrophobicContact CD2-CD2 4.22Å; F17-L392 HydrophobicContact CE2-CD2 4.3Å; L24-L392 HydrophobicContact CD2-CD1 3.84Å; L24-L392 HydrophobicContact CG-CD1 4.29Å; L27-L392 HydrophobicContact CD1-CD1 3.36Å; L27-L392 HydrophobicContact CD1-CG 4.26Å; L27-L392 HydrophobicContact CG-CD1 4.39Å; L293-L392 HydrophobicContact CD1-CB 4.11Å; L293-L392 HydrophobicContact CD1-CD1 4.02Å; L293-L392 HydrophobicContact CD2-CB 4.42Å; D388-L392 PolarHBondContact O-N 2.98Å; I389-L392 PolarHBondContact O-N 2.85Å; L392-A394 PolarHBondContact O-N 3.39Å; L392-M395 HydrophobicContact CD2-SD 4.26Å; L392-M395 WeakPolarHBondContact O-CB 3.36Å; L392-M395 PolarHBondContact O-N 3.16Å; L392-V396 VanDerWaalsContact O-CG2 3.32Å; L392-V396 WeakPolarHBondContact O-CG2 3.37Å; L392-V396 PolarHBondContact O-N 3.08Å
393M87.7Confident87.4Confident50 Ų5060.9 Ų60.925%0.24634%0.336CS..Hα-helixtrans-58.3-35.7174-77.4-63-63.800112.8L290 L293 I389 R391 R397L290-M393 HydrophobicContact CD1-CE 3.77Å; L290-M393 HydrophobicContact CD1-SD 3.7Å; L293-M393 HydrophobicContact CD2-CG 3.77Å; L293-M393 HydrophobicContact CD2-SD 3.23Å; L293-M393 WeakPolarHBondContact CD2-SD 3.46Å; L293-M393 HydrophobicContact CG-SD 4.42Å; I389-M393 HydrophobicContact CG2-CG 4.3Å; I389-M393 WeakPolarHBondContact O-CB 3.33Å; I389-M393 WeakPolarHBondContact O-CG 3.47Å; I389-M393 PolarHBondContact O-N 3.3Å; R391-M393 VanDerWaalsContact C-N 3.3Å; R391-M393 PolarHBondContact O-N 2.78Å; M393-R397 WeakPolarHBondContact O-CG 3.36Å; M393-R397 PolarHBondContact O-N 3.42Å; M393-R397 PolarHBondContact O-NE 3.47Å
394A87.3Confident86.3Confident40 Ų4061.6 Ų61.633%0.33134%0.344SS..Hα-helixtrans-68.9-40.417500000111.7A390 R391 L392 Q398A390-A394 PolarHBondContact O-N 3.02Å; R391-A394 WeakPolarHBondContact O-CB 3.4Å; R391-A394 PolarHBondContact O-N 3.28Å; R391-A394 VanDerWaalsContact O-N 3.1Å; L392-A394 PolarHBondContact O-N 3.39Å; A394-Q398 WeakPolarHBondContact O-CG 3.49Å; A394-Q398 PolarHBondContact O-N 3.32Å
395M85.9Confident84.7Confident44 Ų4465.6 Ų65.622%0.21737%0.373CS..Hα-helixtrans-66.4-43.6175.8-65.6-177.661.200112.4F17 V20 R391 L392 R397 Q398 E399F17-M395 HydrophobicContact CB-CE 4.02Å; F17-M395 HydrophobicContact CB-SD 4.45Å; F17-M395 HydrophobicContact CD2-SD 3.94Å; V20-M395 HydrophobicContact CG2-CB 3.9Å; R391-M395 PolarHBondContact O-N 3.27Å; L392-M395 HydrophobicContact CD2-SD 4.26Å; L392-M395 WeakPolarHBondContact O-CB 3.36Å; L392-M395 PolarHBondContact O-N 3.16Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 3.45Å; M395-Q398 WeakPolarHBondContact O-CA 3.12Å; M395-Q398 WeakPolarHBondContact O-CB 3.47Å; M395-Q398 PolarHBondContact O-N 2.96Å; M395-E399 PolarHBondContact O-N 3.44Å
396V86.9Confident83.2Confident1 Ų166.9 Ų66.91%0.00638%0.377CS..Hα-helixtrans-53.3-48.9175.6168.10000110.4V20 A289 L290 L293 L392 Q398 E399 E400V20-V396 HydrophobicContact CB-CG2 4.36Å; V20-V396 HydrophobicContact CG1-CG2 3.73Å; V20-V396 HydrophobicContact CG2-CB 4.46Å; V20-V396 HydrophobicContact CG2-CG2 3.71Å; A289-V396 HydrophobicContact CB-CG1 4.49Å; A289-V396 HydrophobicContact CB-CG2 4.2Å; L290-V396 HydrophobicContact CB-CG1 3.83Å; L290-V396 HydrophobicContact CD1-CG1 4.21Å; L293-V396 HydrophobicContact CD2-CG2 4.14Å; L392-V396 VanDerWaalsContact O-CG2 3.32Å; L392-V396 WeakPolarHBondContact O-CG2 3.37Å; L392-V396 PolarHBondContact O-N 3.08Å; V396-Q398 VanDerWaalsContact C-N 3.27Å; V396-Q398 PolarHBondContact O-N 3.06Å; V396-E399 PolarHBondContact O-N 2.9Å; V396-E400 HydrophobicContact CG1-CG 4.21Å; V396-E400 WeakPolarHBondContact CG1-OE1 3.32Å; V396-E400 WeakPolarHBondContact O-CB 3.37Å; V396-E400 VanDerWaalsContact O-CG 3.31Å; V396-E400 WeakPolarHBondContact O-CG 3.44Å; V396-E400 PolarHBondContact O-N 2.95Å
397R86.3Confident82.3Confident140 Ų14064.7 Ų64.753%0.52836%0.357SS..Hα-helixtrans-62-34.2178.2-74.4-175.5-74.5-122.5-0.5113.2M393 M395 S401M393-R397 WeakPolarHBondContact O-CG 3.36Å; M393-R397 PolarHBondContact O-N 3.42Å; M393-R397 PolarHBondContact O-NE 3.47Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 3.45Å; R397-S401 WeakPolarHBondContact O-CB 3.43Å; R397-S401 PolarHBondContact O-N 2.98Å; R397-S401 VanDerWaalsContact O-N 3.13Å; R397-S401 PolarHBondContact O-OG 2.94Å
398Q84.8Confident81.7Confident138 Ų13860.8 Ų60.865%0.64534%0.336SS*.Hα-helixtrans-70.2-46.3176.4-70.7174.7-3.200111.3A394 M395 V396 S401 A402A394-Q398 WeakPolarHBondContact O-CG 3.49Å; A394-Q398 PolarHBondContact O-N 3.32Å; M395-Q398 WeakPolarHBondContact O-CA 3.12Å; M395-Q398 WeakPolarHBondContact O-CB 3.47Å; M395-Q398 PolarHBondContact O-N 2.96Å; V396-Q398 VanDerWaalsContact C-N 3.27Å; V396-Q398 PolarHBondContact O-N 3.06Å; Q398-S401 PolarHBondContact O-N 2.95Å; Q398-A402 PolarHBondContact O-N 2.98Å; Q398-A402 VanDerWaalsContact O-N 3.11Å
399E83.2Confident81.1Confident55 Ų5566.2 Ų66.226%0.25736%0.359SS..Hα-helixtrans-61.1-45.3175-72.3-174.9-175.900111.6N19 V20 M395 V396 S401 A402 M403N19-E399 VanDerWaalsContact CA-OE1 3.26Å; N19-E399 WeakPolarHBondContact CA-OE1 3.26Å; N19-E399 WeakPolarHBondContact CB-OE1 3.39Å; V20-E399 VanDerWaalsContact CG2-CD 3.45Å; V20-E399 HydrophobicContact CG2-CG 4.35Å; V20-E399 WeakPolarHBondContact CG2-OE1 3.37Å; V20-E399 WeakPolarHBondContact CG2-OE2 3.29Å; V20-E399 PolarHBondContact N-OE1 3.19Å; M395-E399 PolarHBondContact O-N 3.44Å; V396-E399 PolarHBondContact O-N 2.9Å; E399-S401 PolarHBondContact O-N 3.04Å; E399-A402 PolarHBondContact O-N 2.98Å; E399-A402 VanDerWaalsContact O-N 3.11Å; E399-M403 WeakPolarHBondContact O-CG 3.28Å; E399-M403 PolarHBondContact O-N 3.41Å
400E82.3Confident80.6Confident29 Ų2965.7 Ų65.714%0.13636%0.357CS..Hα-helixtrans-62.8-28.6177.4-78.6177.7171.700113.7R286 L290 V396R286-E400 HydrophobicContact CG-CG 4.38Å; R286-E400 PolarHBondContact NE-O 2.78Å; R286-E400 PolarHBondContact NH2-O 2.91Å; R286-E400 VanDerWaalsContact NH2-O 3.12Å; R286-E400 WeakPolarHBondContact O-CG 3.08Å; L290-E400 WeakPolarHBondContact CB-OE1 3.32Å; V396-E400 HydrophobicContact CG1-CG 4.21Å; V396-E400 WeakPolarHBondContact CG1-OE1 3.32Å; V396-E400 WeakPolarHBondContact O-CB 3.37Å; V396-E400 VanDerWaalsContact O-CG 3.31Å; V396-E400 WeakPolarHBondContact O-CG 3.44Å; V396-E400 PolarHBondContact O-N 2.95Å
401S81.3Confident80.3Confident98 Ų9863.4 Ų63.469%0.68534%0.339SS*.Hα-helixtrans-81.5-26.5176.7-59.30000112.1R397 Q398 E399R397-S401 WeakPolarHBondContact O-CB 3.43Å; R397-S401 PolarHBondContact O-N 2.98Å; R397-S401 VanDerWaalsContact O-N 3.13Å; R397-S401 PolarHBondContact O-OG 2.94Å; Q398-S401 PolarHBondContact O-N 2.95Å; E399-S401 PolarHBondContact O-N 3.04Å
402A81Confident80.1Confident88 Ų8856.8 Ų56.873%0.72732%0.316SS*.Hα-helixtrans-82.9-23.7176.700000112.7Q398 E399Q398-A402 PolarHBondContact O-N 2.98Å; Q398-A402 VanDerWaalsContact O-N 3.11Å; E399-A402 PolarHBondContact O-N 2.98Å; E399-A402 VanDerWaalsContact O-N 3.11Å
403M75.8Confident79.7Confident88 Ų8857 Ų5743%0.43332%0.317SS..SBendtrans-78.5143.7175.2-73.5-171.2170.800112.3R286 E399R286-M403 HydrophobicContact CG-CB 4.46Å; E399-M403 WeakPolarHBondContact O-CG 3.28Å; E399-M403 PolarHBondContact O-N 3.41Å
404P70.6Confident78.7Confident83 Ų8361.4 Ų61.454%0.53934%0.336SS..  trans-62.6153.2172.727-32.5000111.1Q406 T407P404-Q406 PolarHBondContact O-N 2.86Å; P404-T407 HydrophobicContact CG-CG2 4.06Å; P404-T407 WeakPolarHBondContact O-CG2 3.4Å
405S63.2Low77.2Confident85 Ų8561.9 Ų61.959%0.59435%0.345SS*.SBendtrans-62.3-30.7179.649.80000113.1
406Q62Low75.6Confident69 Ų6960.7 Ų60.732%0.32234%0.341SS..  trans-117.5112.9176.9-71171.2-1500109.3P404P404-Q406 PolarHBondContact O-N 2.86Å
407T71.8Confident73.8Confident21 Ų2165.2 Ų65.213%0.12936%0.363CS..  trans-109.5-24.2-174.848.20000112.8S147 Q282 P285 P404S147-T407 PolarHBondContact OG-O 2.77Å; Q282-T407 PolarHBondContact O-OG1 3.38Å; Q282-T407 VanDerWaalsContact O-OG1 3.08Å; P285-T407 VanDerWaalsContact CB-OG1 3.3Å; P285-T407 WeakPolarHBondContact CB-OG1 3.37Å; P285-T407 VanDerWaalsContact CD-OG1 3.26Å; P285-T407 WeakPolarHBondContact CD-OG1 3.49Å; P285-T407 WeakPolarHBondContact CG-OG1 3.26Å; P404-T407 HydrophobicContact CG-CG2 4.06Å; P404-T407 WeakPolarHBondContact O-CG2 3.4Å
408V79.4Confident71.8Confident2 Ų263.3 Ų63.31%0.01237%0.371CS..  trans-86.6125.1171.7-172.90000108.6V144 I148 Q282 P285 F413V144-V408 HydrophobicContact CB-CG1 4.35Å; V144-V408 HydrophobicContact CG1-CG1 3.87Å; I148-V408 HydrophobicContact CG2-CG2 3.91Å; Q282-V408 HydrophobicContact CG-CB 4.1Å; P285-V408 HydrophobicContact CG-CG2 3.86Å; V408-F413 HydrophobicContact CG1-CD2 3.84Å; V408-F413 HydrophobicContact CG1-CE2 3.88Å; V408-F413 HydrophobicContact CG1-CG 4.29Å; V408-F413 HydrophobicContact CG1-CZ 4.35Å
409K80.1Confident69.8Low139 Ų13957.6 Ų57.660%0.60435%0.35SS*.  trans-122.5162.5-177.5-61.2-176.7-179.3-179.30110.3P143 V144P143-K409 CarbonylContact C-O 3.59Å; P143-K409 WeakPolarHBondContact CB-O 3.36Å; V144-K409 PolarHBondContact N-O 3.1Å
410G79.1Confident67.7Low3 Ų361.1 Ų61.13%0.03138%0.377CS..SBendtrans70.3174.7-179.300000114.3V144 F413 E414V144-G410 WeakPolarHBondContact CG2-O 3.48Å; G410-F413 WeakPolarHBondContact O-CB 3.42Å; G410-F413 WeakPolarHBondContact O-CD2 3.49Å; G410-E414 WeakPolarHBondContact CA-OE1 3.39Å; G410-E414 PolarHBondContact N-OE1 3.1Å
411G83Confident66.1Low11 Ų1166.8 Ų66.811%0.11340%0.401CS..G310 helixtrans59.8-150.4-175.400000112.4E79 F413 E414E79-G411 VanDerWaalsContact CD-C 3.48Å; G411-F413 PolarHBondContact O-N 2.86Å; G411-E414 PolarHBondContact O-N 3.21Å
412A81.9Confident64.3Low9 Ų964.2 Ų64.27%0.07439%0.391CS..G310 helixtrans-65.6-5.6-175.200000113.9H76 L77 E79 F278 T416H76-A412 WeakPolarHBondContact O-CB 3.34Å; L77-A412 PolarHBondContact O-N 3.37Å; E79-A412 HydrophobicContact CG-CB 4.27Å; F278-A412 HydrophobicContact CD2-CB 4.32Å; F278-A412 HydrophobicContact CE2-CB 3.55Å; F278-A412 HydrophobicContact CZ-CB 4.09Å; A412-T416 WeakPolarHBondContact O-CG2 3.39Å
413F80.3Confident62.4Low5 Ų567.3 Ų67.32%0.02239%0.39CS..G310 helixtrans-82.4-16.2179.6-62.1-73.5000114.2L77 V144 F278 I281 Q282 V408 G410 G411 T416L77-F413 HydrophobicContact CB-CE2 4.42Å; L77-F413 HydrophobicContact CD2-CE1 4.36Å; L77-F413 HydrophobicContact CD2-CE2 4.18Å; L77-F413 HydrophobicContact CD2-CZ 3.73Å; V144-F413 HydrophobicContact CB-CE2 4.5Å; V144-F413 HydrophobicContact CG1-CD2 4.3Å; V144-F413 HydrophobicContact CG1-CE2 3.7Å; V144-F413 HydrophobicContact CG2-CD2 3.79Å; V144-F413 HydrophobicContact CG2-CE2 3.97Å; F278-F413 HydrophobicContact CB-CD1 3.82Å; F278-F413 HydrophobicContact CB-CE1 3.79Å; F278-F413 HydrophobicContact CD1-CE1 4.34Å; F278-F413 HydrophobicContact CD2-CD1 4.37Å; F278-F413 HydrophobicContact CG-CD1 4.14Å; F278-F413 AromaticContact CG-CE1 3.97Å; F278-F413 HydrophobicContact CG-CE1 3.97Å; I281-F413 HydrophobicContact CB-CE1 4.07Å; I281-F413 HydrophobicContact CB-CZ 4.22Å; I281-F413 HydrophobicContact CG2-CE1 4.02Å; I281-F413 HydrophobicContact CG2-CZ 3.7Å; Q282-F413 HydrophobicContact CG-CB 4.41Å; Q282-F413 HydrophobicContact CG-CD1 3.46Å; Q282-F413 VanDerWaalsContact CG-CD1 3.46Å; Q282-F413 HydrophobicContact CG-CE1 3.99Å; Q282-F413 HydrophobicContact CG-CG 4.15Å; Q282-F413 PolarHBondContact NE2-O 3.47Å; V408-F413 HydrophobicContact CG1-CD2 3.84Å; V408-F413 HydrophobicContact CG1-CE2 3.88Å; V408-F413 HydrophobicContact CG1-CG 4.29Å; V408-F413 HydrophobicContact CG1-CZ 4.35Å; G410-F413 WeakPolarHBondContact O-CB 3.42Å; G410-F413 WeakPolarHBondContact O-CD2 3.49Å; G411-F413 PolarHBondContact O-N 2.86Å; F413-T416 PolarHBondContact O-OG1 3.05Å; F413-T416 VanDerWaalsContact O-OG1 3.08Å
414E66.6Low61.2Low141 Ų14164.2 Ų64.266%0.65938%0.38SS*.SBendtrans-78.6-26.5179.3-75.8-174.5175.100112.9G410 G411G410-E414 WeakPolarHBondContact CA-OE1 3.39Å; G410-E414 PolarHBondContact N-OE1 3.1Å; G411-E414 PolarHBondContact O-N 3.21Å
415G56.1Low60.3Low50 Ų5064.5 Ų64.552%0.51537%0.371SS..SBendtrans-83.5-15-179.400000115.4M417 G419G415-M417 VanDerWaalsContact C-N 3.34Å; G415-M417 PolarHBondContact O-N 3.34Å; G415-G419 PolarHBondContact O-N 3.26Å
416T53.3Low59.9Low20 Ų2061.9 Ų61.912%0.12336%0.358CS..THydrogen-bonded Turntrans-75.2-15.8-164.953.50000115.4Q275 F278 A412 F413Q275-T416 PolarHBondContact NE2-O 3.38Å; F278-T416 HydrophobicContact CB-CG2 3.99Å; F278-T416 HydrophobicContact CD2-CG2 3.47Å; F278-T416 VanDerWaalsContact CD2-CG2 3.47Å; F278-T416 HydrophobicContact CE2-CG2 4.38Å; F278-T416 HydrophobicContact CG-CG2 4.22Å; A412-T416 WeakPolarHBondContact O-CG2 3.39Å; F413-T416 PolarHBondContact O-OG1 3.05Å; F413-T416 VanDerWaalsContact O-OG1 3.08Å
417M48.6Very low59.9Low95 Ų9561.7 Ų61.747%0.46836%0.357SS..THydrogen-bonded Turntrans-120.6-25.5-176.1-66.4-70.3-70.700113L279 G415L279-M417 HydrophobicContact CD2-SD 4.23Å; G415-M417 VanDerWaalsContact C-N 3.34Å; G415-M417 PolarHBondContact O-N 3.34Å
418S43.7Very low60.3Low100 Ų10060.9 Ų60.970%0.69935%0.353SS*.THydrogen-bonded Turntrans-169.752.1-169.9-58.60000110.6
419G42.1Very low60Low19 Ų1961.2 Ų61.220%0.19636%0.356CS..  trans-52.7157.815900000109.6G415 F421 G422G415-G419 PolarHBondContact O-N 3.26Å; G419-F421 CarbonylContact O-C 3.4Å; G419-F421 VanDerWaalsContact O-C 3.29Å; G419-F421 PolarHBondContact O-N 3.14Å; G419-G422 PolarHBondContact O-N 3.4Å
420P40.8Very low59.5Low128 Ų12856.5 Ų56.583%0.83134%0.34SS*.SBendtrans-55.2-12.6172.422.7-31.7000112.9
421F47.7Very low59.5Low148 Ų14858.3 Ų58.365%0.64935%0.348SS*.SBendtrans-11289.5166-44-76.8000107.6G419 Y425G419-F421 CarbonylContact O-C 3.4Å; G419-F421 VanDerWaalsContact O-C 3.29Å; G419-F421 PolarHBondContact O-N 3.14Å; F421-Y425 HydrophobicContact CB-CD2 4.37Å
422G43.5Very low59.1Low45 Ų4558.1 Ų58.146%0.46435%0.346SS..  trans-63.2179.4179.100000113.1G419 G424G419-G422 PolarHBondContact O-N 3.4Å; G422-G424 PolarHBondContact O-N 3.16Å
423H41.7Very low58.8Low152 Ų15260.3 Ų60.370%0.70436%0.356SS*.SBendtrans-40.1127.2170.8-81.3-25.5000112.5Q275Q275-H423 PolarHBondContact NE2-CE1 3.12Å; Q275-H423 PolarHBondContact NE2-NE2 3.09Å; Q275-H423 PolarHBondContact OE1-CE1 2.61Å
424G50.8Low58.1Low23 Ų2364.7 Ų64.724%0.23738%0.379CS..  trans106.229177.400000115.9G422 G426 E427 S430G422-G424 PolarHBondContact O-N 3.16Å; G424-G426 PolarHBondContact O-N 3.27Å; G424-G426 VanDerWaalsContact O-N 3.16Å; G424-E427 PolarHBondContact O-N 3.07Å; G424-S430 WeakPolarHBondContact O-CB 3.46Å
425Y50.8Low58.5Low89 Ų8961.7 Ų61.735%0.34937%0.365SS..THydrogen-bonded Turntrans-58.5119.1165.5-167.9-89.7000109.2F421 I433 D434F421-Y425 HydrophobicContact CB-CD2 4.37Å; Y425-I433 HydrophobicContact CD1-CG2 4.28Å; Y425-I433 HydrophobicContact CD2-CG2 4.48Å; Y425-I433 HydrophobicContact CE1-CG2 3.77Å; Y425-I433 HydrophobicContact CE2-CD1 4.19Å; Y425-I433 HydrophobicContact CE2-CG2 4.02Å; Y425-D434 WeakPolarHBondContact CE1-OD2 3.29Å; Y425-D434 PolarHBondContact OH-OD1 3.03Å
426G55.5Low59.3Low30 Ų3067.7 Ų67.731%0.30938%0.384SS..THydrogen-bonded Turntrans80.69.9-172.800000115.7G424 S430G424-G426 PolarHBondContact O-N 3.27Å; G424-G426 VanDerWaalsContact O-N 3.16Å; G426-S430 WeakPolarHBondContact CA-O 3.49Å; G426-S430 PolarHBondContact N-O 3.19Å
427E61.7Low60.6Low65 Ų6574.5 Ų74.530%0.30442%0.415SS..SBendtrans-128.5161.5175-65.7-170.7162.800112.5K268 G424 A429 S430 H514K268-E427 VanDerWaalsContact CD-OE1 3.28Å; K268-E427 WeakPolarHBondContact CD-OE1 3.35Å; K268-E427 WeakPolarHBondContact CE-OE1 3.39Å; K268-E427 IonicContact NZ-OE1 3.4Å; K268-E427 PolarHBondContact NZ-OE1 3.44Å; G424-E427 PolarHBondContact O-N 3.07Å; E427-A429 PolarHBondContact O-N 3.02Å; E427-S430 WeakPolarHBondContact O-CA 3.21Å; E427-S430 WeakPolarHBondContact O-CB 3.41Å; E427-S430 PolarHBondContact O-N 3.28Å; E427-H514 IonicContact OE2-CE1 3.31Å
428G79.4Confident62.7Low4 Ų471 Ų714%0.04140%0.397CS..G310 helixtrans54.6-123.8-179.900000111.6S430 E431 V509G428-S430 PolarHBondContact O-N 3.44Å; G428-E431 WeakPolarHBondContact O-CB 3.45Å; G428-E431 PolarHBondContact O-N 3.33Å; G428-V509 WeakPolarHBondContact O-CG2 3.42Å
429A73.5Confident64.8Low9 Ų966.5 Ų66.57%0.07437%0.365CS..G310 helixtrans-770.5178.700000114.9E427 P517 H523 L524E427-A429 PolarHBondContact O-N 3.02Å; A429-P517 HydrophobicContact CB-CB 4.18Å; A429-P517 VanDerWaalsContact CB-CD 3.48Å; A429-P517 HydrophobicContact CB-CG 3.77Å; A429-H523 PolarHBondContact O-NE2 3.2Å; A429-L524 HydrophobicContact CB-CD1 4.36Å; A429-L524 VanDerWaalsContact O-CD1 3.32Å; A429-L524 WeakPolarHBondContact O-CD1 3.42Å
430S69.3Low67.1Low40 Ų4065.6 Ų65.628%0.2836%0.355SS..G310 helixtrans-106.77.1172.1-50.50000112G424 G426 E427 G428 G432 I433G424-S430 WeakPolarHBondContact O-CB 3.46Å; G426-S430 WeakPolarHBondContact CA-O 3.49Å; G426-S430 PolarHBondContact N-O 3.19Å; E427-S430 WeakPolarHBondContact O-CA 3.21Å; E427-S430 WeakPolarHBondContact O-CB 3.41Å; E427-S430 PolarHBondContact O-N 3.28Å; G428-S430 PolarHBondContact O-N 3.44Å; S430-G432 PolarHBondContact O-N 3.38Å; S430-I433 WeakPolarHBondContact O-CB 3.46Å; S430-I433 WeakPolarHBondContact O-CG2 3.02Å; S430-I433 PolarHBondContact O-N 3.35Å
431E78.6Confident69.4Low42 Ų4261.2 Ų61.220%0.19633%0.334CS..THydrogen-bonded Turntrans-59.3131.6176-162.7-168.1164.400110G428 I433 V439 R442 H505 H523G428-E431 WeakPolarHBondContact O-CB 3.45Å; G428-E431 PolarHBondContact O-N 3.33Å; E431-I433 VanDerWaalsContact C-N 3.3Å; E431-I433 PolarHBondContact O-N 3.41Å; E431-V439 HydrophobicContact CB-CG2 4.24Å; E431-V439 HydrophobicContact CG-CG2 3.83Å; E431-V439 WeakPolarHBondContact O-CG1 3.32Å; E431-R442 IonicContact OE1-NH1 2.75Å; E431-R442 PolarHBondContact OE1-NH1 3.25Å; E431-H505 IonicContact OE2-CE1 2.8Å; E431-H505 PolarHBondContact OE2-CE1 3.41Å; E431-H523 PolarHBondContact O-CD2 3.14Å; E431-H523 PolarHBondContact O-NE2 3.03Å
432G75.4Confident71.3Confident6 Ų660.8 Ų60.86%0.06233%0.328CS..THydrogen-bonded Turntrans71.718-179.500000115.3S430 D434 E435S430-G432 PolarHBondContact O-N 3.38Å; G432-D434 PolarHBondContact O-N 3.25Å; G432-E435 WeakPolarHBondContact O-CB 3.28Å; G432-E435 PolarHBondContact O-N 3.25Å
433I75.2Confident73.5Confident56 Ų5661 Ų6129%0.28732%0.319SS..THydrogen-bonded Turntrans-59.9-29.8177.3-166.3162.9000113.9Y425 S430 E431Y425-I433 HydrophobicContact CD1-CG2 4.28Å; Y425-I433 HydrophobicContact CD2-CG2 4.48Å; Y425-I433 HydrophobicContact CE1-CG2 3.77Å; Y425-I433 HydrophobicContact CE2-CD1 4.19Å; Y425-I433 HydrophobicContact CE2-CG2 4.02Å; S430-I433 WeakPolarHBondContact O-CB 3.46Å; S430-I433 WeakPolarHBondContact O-CG2 3.02Å; S430-I433 PolarHBondContact O-N 3.35Å; E431-I433 VanDerWaalsContact C-N 3.3Å; E431-I433 PolarHBondContact O-N 3.41Å
434D66.9Low75.9Confident96 Ų9655.3 Ų55.351%0.51329%0.291SS..THydrogen-bonded Turntrans-94.70.4176.5-67-24000112.7R267 Y425 G432R267-D434 IonicContact NH1-OD2 2.62Å; R267-D434 PolarHBondContact NH1-OD2 3.32Å; Y425-D434 WeakPolarHBondContact CE1-OD2 3.29Å; Y425-D434 PolarHBondContact OH-OD1 3.03Å; G432-D434 PolarHBondContact O-N 3.25Å
435E73.4Confident77.9Confident78 Ų7858 Ų5836%0.36431%0.305SS..  trans-90.2140.9-175.8-65-179.8-150.200111.7G432 E437 R442G432-E435 WeakPolarHBondContact O-CB 3.28Å; G432-E435 PolarHBondContact O-N 3.25Å; E435-E437 VanDerWaalsContact C-N 3.34Å; E435-R442 IonicContact OE1-CZ 3.14Å; E435-R442 IonicContact OE1-NH1 3.57Å; E435-R442 IonicContact OE1-NH2 3.07Å; E435-R442 PolarHBondContact OE1-NH2 2.77Å; E435-R442 IonicContact OE2-CZ 2.77Å; E435-R442 IonicContact OE2-NE 2.78Å; E435-R442 IonicContact OE2-NH2 3.98Å; E435-R442 PolarHBondContact OE2-NH2 3.02Å
436L72.8Confident79.9Confident176 Ų17657.8 Ų57.892%0.92131%0.313SS*.SBendtrans-72.9-30.9175.9-71.9165.9000111.9
437E82.4Confident81.8Confident163 Ų16357.4 Ų57.476%0.76230%0.302SS*.SBendtrans-90.9154.5-179.6-66.1-174.2176.400111.5E435 V439E435-E437 VanDerWaalsContact C-N 3.34Å; E437-V439 PolarHBondContact O-N 2.91Å
438W91.3Very high83.2Confident23 Ų2355.8 Ų55.89%0.08730%0.296CS..  trans-72.2113.8178.8-174.444.8000110.1V440 G441 K444 E498 A501 L502 H523 L524 P526 P527W438-V440 HydrophobicContact CD2-CB 3.84Å; W438-V440 HydrophobicContact CD2-CG2 4.36Å; W438-V440 HydrophobicContact CE3-CB 4.11Å; W438-V440 HydrophobicContact CH2-CB 3.86Å; W438-V440 HydrophobicContact CH2-CG1 3.8Å; W438-V440 HydrophobicContact CH2-CG2 4.49Å; W438-V440 HydrophobicContact CZ2-CB 3.57Å; W438-V440 HydrophobicContact CZ2-CG1 3.89Å; W438-V440 HydrophobicContact CZ2-CG2 3.75Å; W438-V440 HydrophobicContact CZ3-CB 4.12Å; W438-V440 HydrophobicContact CZ3-CG1 4.24Å; W438-V440 PolarHBondContact O-N 3.23Å; W438-V440 VanDerWaalsContact O-N 3.12Å; W438-G441 WeakPolarHBondContact O-CA 3.24Å; W438-G441 PolarHBondContact O-N 2.95Å; W438-K444 HydrophobicContact CZ3-CD 4.37Å; W438-E498 HydrophobicContact CH2-CB 3.89Å; W438-E498 WeakPolarHBondContact CH2-O 3.32Å; W438-E498 HydrophobicContact CZ3-CB 4.17Å; W438-E498 HydrophobicContact CZ3-CG 4.3Å; W438-A501 HydrophobicContact CH2-CB 4.34Å; W438-L502 HydrophobicContact CZ2-CB 4.27Å; W438-H523 VanDerWaalsContact CD1-O 3.24Å; W438-L524 PolarHBondContact NE1-O 3.16Å; W438-P526 HydrophobicContact CH2-CB 4.39Å; W438-P526 HydrophobicContact CH2-CG 4.36Å; W438-P526 HydrophobicContact CZ2-CB 4.23Å; W438-P526 HydrophobicContact CZ2-CG 3.98Å; W438-P527 HydrophobicContact CB-CG 3.85Å; W438-P527 HydrophobicContact CD2-CG 4.17Å; W438-P527 HydrophobicContact CE3-CG 4.15Å; W438-P527 HydrophobicContact CG-CG 4.08Å
439V88.5Confident83.9Confident4 Ų462.3 Ų62.32%0.02433%0.325CS..G310 helixtrans-54.2-35.4-173.571.70000113.7E431 E437 G441 R442 L524E431-V439 HydrophobicContact CB-CG2 4.24Å; E431-V439 HydrophobicContact CG-CG2 3.83Å; E431-V439 WeakPolarHBondContact O-CG1 3.32Å; E437-V439 PolarHBondContact O-N 2.91Å; V439-G441 PolarHBondContact O-N 3.21Å; V439-R442 WeakPolarHBondContact O-CB 2.97Å; V439-R442 WeakPolarHBondContact O-CG 3.5Å; V439-R442 PolarHBondContact O-N 2.6Å; V439-L524 HydrophobicContact CG1-CD2 3.45Å; V439-L524 VanDerWaalsContact CG1-CD2 3.45Å
440V91Very high84.8Confident0 Ų064.3 Ų64.30%033%0.334CS..G310 helixtrans-65.3-24.7178-175.40000111.5W438 R442 D443 K444 Y447 A501 L502 H505 L524W438-V440 HydrophobicContact CD2-CB 3.84Å; W438-V440 HydrophobicContact CD2-CG2 4.36Å; W438-V440 HydrophobicContact CE3-CB 4.11Å; W438-V440 HydrophobicContact CH2-CB 3.86Å; W438-V440 HydrophobicContact CH2-CG1 3.8Å; W438-V440 HydrophobicContact CH2-CG2 4.49Å; W438-V440 HydrophobicContact CZ2-CB 3.57Å; W438-V440 HydrophobicContact CZ2-CG1 3.89Å; W438-V440 HydrophobicContact CZ2-CG2 3.75Å; W438-V440 HydrophobicContact CZ3-CB 4.12Å; W438-V440 HydrophobicContact CZ3-CG1 4.24Å; W438-V440 PolarHBondContact O-N 3.23Å; W438-V440 VanDerWaalsContact O-N 3.12Å; V440-R442 PolarHBondContact O-N 2.64Å; V440-R442 VanDerWaalsContact O-N 3.11Å; V440-D443 PolarHBondContact O-N 2.63Å; V440-D443 VanDerWaalsContact O-N 3.12Å; V440-K444 PolarHBondContact O-N 3.05Å; V440-Y447 HydrophobicContact CG1-CE2 4.37Å; V440-A501 HydrophobicContact CG1-CB 3.85Å; V440-L502 HydrophobicContact CG2-CD1 4.34Å; V440-H505 HydrophobicContact CG1-CB 3.98Å; V440-H505 HydrophobicContact CG2-CB 3.99Å; V440-L524 HydrophobicContact CG2-CD2 4.25Å
441G87.9Confident86Confident37 Ų3762.5 Ų62.538%0.38132%0.321SS..G310 helixtrans-57.5-23.8177.100000114W438 V439W438-G441 WeakPolarHBondContact O-CA 3.24Å; W438-G441 PolarHBondContact O-N 2.95Å; V439-G441 PolarHBondContact O-N 3.21Å
442R88.8Confident86.7Confident139 Ų13967.2 Ų67.253%0.52534%0.338SS..G310 helixtrans-62.2-43.7175.7-64.5173.5178.7176.1-5.4112.5E431 E435 V439 V440E431-R442 IonicContact OE1-NH1 2.75Å; E431-R442 PolarHBondContact OE1-NH1 3.25Å; E435-R442 IonicContact OE1-CZ 3.14Å; E435-R442 IonicContact OE1-NH1 3.57Å; E435-R442 IonicContact OE1-NH2 3.07Å; E435-R442 PolarHBondContact OE1-NH2 2.77Å; E435-R442 IonicContact OE2-CZ 2.77Å; E435-R442 IonicContact OE2-NE 2.78Å; E435-R442 IonicContact OE2-NH2 3.98Å; E435-R442 PolarHBondContact OE2-NH2 3.02Å; V439-R442 WeakPolarHBondContact O-CB 2.97Å; V439-R442 WeakPolarHBondContact O-CG 3.5Å; V439-R442 PolarHBondContact O-N 2.6Å; V440-R442 PolarHBondContact O-N 2.64Å; V440-R442 VanDerWaalsContact O-N 3.11Å
443D89.4Confident87.6Confident50 Ų5071.8 Ų71.827%0.26737%0.365SS..THydrogen-bonded Turntrans-102.7-5.9-175-67.6-27.4000112.2V440 P445 T446 Y447 K508V440-D443 PolarHBondContact O-N 2.63Å; V440-D443 VanDerWaalsContact O-N 3.12Å; D443-P445 VanDerWaalsContact C-CD 3.41Å; D443-P445 VanDerWaalsContact C-N 3.35Å; D443-T446 WeakPolarHBondContact O-CB 3.44Å; D443-T446 PolarHBondContact O-N 2.97Å; D443-Y447 HydrophobicContact CB-CD2 4.22Å; D443-Y447 HydrophobicContact CB-CE1 4.44Å; D443-Y447 HydrophobicContact CB-CE2 3.5Å; D443-Y447 WeakPolarHBondContact O-CD2 3.39Å; D443-Y447 PolarHBondContact O-N 3.14Å; D443-K508 IonicContact OD2-NZ 2.76Å; D443-K508 PolarHBondContact OD2-NZ 2.86Å
444K91.6Very high88.3Confident31 Ų3171 Ų7114%0.13536%0.361CS..Hα-helixtrans-50.1-43.4-179.6-170.3-173.6-171.4-52.90113.7W438 V440 T446 Y447 D448 D497 A501W438-K444 HydrophobicContact CZ3-CD 4.37Å; V440-K444 PolarHBondContact O-N 3.05Å; K444-T446 PolarHBondContact O-N 3.45Å; K444-Y447 PolarHBondContact O-N 3.32Å; K444-D448 IonicContact NZ-OD1 2.63Å; K444-D448 PolarHBondContact NZ-OD1 2.92Å; K444-D448 IonicContact NZ-OD2 2.56Å; K444-D448 PolarHBondContact NZ-OD2 3.19Å; K444-D448 WeakPolarHBondContact O-CB 3.41Å; K444-D448 VanDerWaalsContact O-CG 3.31Å; K444-D448 PolarHBondContact O-N 3.34Å; K444-D497 IonicContact NZ-OD2 2.73Å; K444-D497 PolarHBondContact NZ-OD2 3.05Å; K444-A501 HydrophobicContact CG-CB 4.06Å
445P93.7Very high89.5Confident81 Ų8170.9 Ų70.953%0.52637%0.368SS..Hα-helixtrans-56.5-37.9178.9-26.435.8000113.5D443 E449D443-P445 VanDerWaalsContact C-CD 3.41Å; D443-P445 VanDerWaalsContact C-N 3.35Å; P445-E449 PolarHBondContact O-N 2.82Å
446T92.3Very high90.4Very high83 Ų8368.8 Ų68.851%0.50936%0.361SS..Hα-helixtrans-71.3-36.1176.8-56.30000111.9D443 K444D443-T446 WeakPolarHBondContact O-CB 3.44Å; D443-T446 PolarHBondContact O-N 2.97Å; K444-T446 PolarHBondContact O-N 3.45Å
447Y94.4Very high91.2Very high22 Ų2266.8 Ų66.89%0.08635%0.35CS..Hα-helixtrans-72.1-35.5176.9-56.5-34.3000112.4V440 D443 K444 E449 I450 F451 A501 N504 H505V440-Y447 HydrophobicContact CG1-CE2 4.37Å; D443-Y447 HydrophobicContact CB-CD2 4.22Å; D443-Y447 HydrophobicContact CB-CE1 4.44Å; D443-Y447 HydrophobicContact CB-CE2 3.5Å; D443-Y447 WeakPolarHBondContact O-CD2 3.39Å; D443-Y447 PolarHBondContact O-N 3.14Å; K444-Y447 PolarHBondContact O-N 3.32Å; Y447-E449 VanDerWaalsContact C-N 3.33Å; Y447-E449 PolarHBondContact O-N 3.12Å; Y447-I450 PolarHBondContact O-N 3.32Å; Y447-F451 WeakPolarHBondContact O-CB 3.4Å; Y447-F451 PolarHBondContact O-N 2.96Å; Y447-A501 HydrophobicContact CD2-CB 3.82Å; Y447-A501 HydrophobicContact CG-CB 4.43Å; Y447-N504 HydrophobicContact CD1-CB 3.52Å; Y447-N504 HydrophobicContact CD2-CB 4.15Å; Y447-N504 HydrophobicContact CE1-CB 3.55Å; Y447-N504 HydrophobicContact CE2-CB 4.15Å; Y447-N504 HydrophobicContact CG-CB 3.84Å; Y447-H505 HydrophobicContact CE2-CB 4.3Å
448D92.6Very high91.6Very high32 Ų3266.9 Ų66.917%0.17136%0.356CS..Hα-helixtrans-61.6-41.2175.9-73.8-6000111.1K444 I450 F451 Y452K444-D448 IonicContact NZ-OD1 2.63Å; K444-D448 PolarHBondContact NZ-OD1 2.92Å; K444-D448 IonicContact NZ-OD2 2.56Å; K444-D448 PolarHBondContact NZ-OD2 3.19Å; K444-D448 WeakPolarHBondContact O-CB 3.41Å; K444-D448 VanDerWaalsContact O-CG 3.31Å; K444-D448 PolarHBondContact O-N 3.34Å; D448-I450 VanDerWaalsContact C-N 3.28Å; D448-I450 PolarHBondContact O-N 3.13Å; D448-F451 WeakPolarHBondContact O-CB 3.4Å; D448-F451 PolarHBondContact O-N 3.38Å; D448-F451 VanDerWaalsContact O-N 3.16Å; D448-Y452 HydrophobicContact CB-CD2 4.38Å; D448-Y452 HydrophobicContact CB-CE2 4.1Å; D448-Y452 WeakPolarHBondContact O-CD2 3.49Å; D448-Y452 PolarHBondContact O-N 3.2Å
449E93.8Very high91.5Very high140 Ų14067.7 Ų67.765%0.65437%0.371SS*.Hα-helixtrans-54.5-46.4174.2-73.2-178.6-177.100111.5P445 Y447 T453P445-E449 PolarHBondContact O-N 2.82Å; Y447-E449 VanDerWaalsContact C-N 3.33Å; Y447-E449 PolarHBondContact O-N 3.12Å; E449-T453 WeakPolarHBondContact O-CG2 3.15Å; E449-T453 PolarHBondContact O-N 3.47Å
450I92.9Very high91.8Very high51 Ų5170.2 Ų70.226%0.26238%0.382SS..Hα-helixtrans-66.8-45.6177.6-58170.9000110.1Y447 D448 Y452 T453 L454 E469 F500Y447-I450 PolarHBondContact O-N 3.32Å; D448-I450 VanDerWaalsContact C-N 3.28Å; D448-I450 PolarHBondContact O-N 3.13Å; I450-Y452 VanDerWaalsContact C-N 3.33Å; I450-Y452 PolarHBondContact O-N 3.26Å; I450-T453 WeakPolarHBondContact O-CB 3.39Å; I450-T453 PolarHBondContact O-N 3.31Å; I450-T453 VanDerWaalsContact O-N 3.08Å; I450-T453 PolarHBondContact O-OG1 3.35Å; I450-L454 PolarHBondContact O-N 2.98Å; I450-E469 HydrophobicContact CG2-CG 3.94Å; I450-F500 HydrophobicContact CB-CE1 4.09Å; I450-F500 HydrophobicContact CB-CZ 4.45Å; I450-F500 HydrophobicContact CG2-CE1 3.98Å; I450-F500 HydrophobicContact CG2-CZ 3.83Å
451F94.1Very high91.9Very high2 Ų270.3 Ų70.31%0.00938%0.383CS..Hα-helixtrans-53.7-48179.9179.4-102.9000112Y447 D448 T453 L454 P456 G459 V461 D496 D497 F500Y447-F451 WeakPolarHBondContact O-CB 3.4Å; Y447-F451 PolarHBondContact O-N 2.96Å; D448-F451 WeakPolarHBondContact O-CB 3.4Å; D448-F451 PolarHBondContact O-N 3.38Å; D448-F451 VanDerWaalsContact O-N 3.16Å; F451-T453 VanDerWaalsContact C-N 3.3Å; F451-T453 PolarHBondContact O-N 3.29Å; F451-L454 WeakPolarHBondContact O-CB 3.38Å; F451-L454 PolarHBondContact O-N 3.26Å; F451-L454 VanDerWaalsContact O-N 3.09Å; F451-P456 HydrophobicContact CD1-CG 4.11Å; F451-P456 HydrophobicContact CE1-CB 3.76Å; F451-P456 HydrophobicContact CE1-CG 3.65Å; F451-P456 HydrophobicContact CZ-CB 3.77Å; F451-P456 HydrophobicContact CZ-CG 4.19Å; F451-G459 WeakPolarHBondContact CZ-O 3.49Å; F451-V461 HydrophobicContact CD2-CG1 3.89Å; F451-V461 HydrophobicContact CD2-CG2 4.28Å; F451-V461 HydrophobicContact CE2-CB 4.29Å; F451-V461 HydrophobicContact CE2-CG1 3.62Å; F451-V461 HydrophobicContact CE2-CG2 3.88Å; F451-V461 HydrophobicContact CZ-CG1 4.18Å; F451-D496 WeakPolarHBondContact CE2-O 3.36Å; F451-D497 HydrophobicContact CD1-CB 3.98Å; F451-D497 HydrophobicContact CE1-CB 3.8Å; F451-D497 HydrophobicContact CG-CB 4.41Å; F451-D497 HydrophobicContact CZ-CB 4.08Å; F451-F500 HydrophobicContact CB-CD1 3.66Å; F451-F500 HydrophobicContact CB-CE1 3.92Å; F451-F500 HydrophobicContact CB-CG 4.3Å; F451-F500 HydrophobicContact CD2-CB 3.54Å; F451-F500 AromaticContact CD2-CD1 3.82Å; F451-F500 HydrophobicContact CD2-CD1 3.82Å; F451-F500 HydrophobicContact CD2-CD2 4.12Å; F451-F500 AromaticContact CD2-CG 3.56Å; F451-F500 HydrophobicContact CD2-CG 3.56Å; F451-F500 HydrophobicContact CE2-CB 3.97Å; F451-F500 HydrophobicContact CE2-CG 4.38Å; F451-F500 HydrophobicContact CG-CD1 4.22Å; F451-F500 HydrophobicContact CG-CG 4.4Å
452Y92.9Very high92.2Very high142 Ų14271 Ų7156%0.55738%0.381SS*.Hα-helixtrans-69-26.6-179.8-70.1-63000113.2D448 I450 L454 S455 P456D448-Y452 HydrophobicContact CB-CD2 4.38Å; D448-Y452 HydrophobicContact CB-CE2 4.1Å; D448-Y452 WeakPolarHBondContact O-CD2 3.49Å; D448-Y452 PolarHBondContact O-N 3.2Å; I450-Y452 VanDerWaalsContact C-N 3.33Å; I450-Y452 PolarHBondContact O-N 3.26Å; Y452-L454 PolarHBondContact O-N 3.46Å; Y452-S455 PolarHBondContact O-N 3.13Å; Y452-P456 HydrophobicContact CD1-CG 4.05Å; Y452-P456 HydrophobicContact CE1-CG 4.46Å
453T93.3Very high92.2Very high102 Ų10265.3 Ų65.363%0.62637%0.366SS*.Hα-helixtrans-66.6-19.1172.673.10000113.5E449 I450 F451 S455E449-T453 WeakPolarHBondContact O-CG2 3.15Å; E449-T453 PolarHBondContact O-N 3.47Å; I450-T453 WeakPolarHBondContact O-CB 3.39Å; I450-T453 PolarHBondContact O-N 3.31Å; I450-T453 VanDerWaalsContact O-N 3.08Å; I450-T453 PolarHBondContact O-OG1 3.35Å; F451-T453 VanDerWaalsContact C-N 3.3Å; F451-T453 PolarHBondContact O-N 3.29Å; T453-S455 PolarHBondContact O-N 2.9Å
454L91.4Very high92.2Very high38 Ų3866.7 Ų66.720%0.19939%0.385CS..THydrogen-bonded Turntrans-83.82.1177.6-58.5177.6000112.9I450 F451 Y452 V461 E469 F500I450-L454 PolarHBondContact O-N 2.98Å; F451-L454 WeakPolarHBondContact O-CB 3.38Å; F451-L454 PolarHBondContact O-N 3.26Å; F451-L454 VanDerWaalsContact O-N 3.09Å; Y452-L454 PolarHBondContact O-N 3.46Å; L454-V461 HydrophobicContact CB-CG1 3.88Å; L454-V461 HydrophobicContact CD1-CG1 4.38Å; L454-E469 HydrophobicContact CD1-CB 4.06Å; L454-E469 HydrophobicContact CD1-CG 4.23Å; L454-E469 HydrophobicContact CD2-CB 4.31Å; L454-E469 HydrophobicContact CD2-CG 4.49Å; L454-F500 HydrophobicContact CD1-CD2 4.49Å; L454-F500 HydrophobicContact CD1-CE2 3.56Å; L454-F500 HydrophobicContact CD1-CZ 3.7Å
455S90.8Very high92.2Very high95 Ų9566.6 Ų66.666%0.66439%0.389SS*.  trans53.865179.3-61.10000112.7Y452 T453Y452-S455 PolarHBondContact O-N 3.13Å; T453-S455 PolarHBondContact O-N 2.9Å
456P92.1Very high92.1Very high34 Ų3462.7 Ų62.722%0.22136%0.364CS..  trans-59.7142.417926-34.5000111.4F451 Y452 K460 V461F451-P456 HydrophobicContact CD1-CG 4.11Å; F451-P456 HydrophobicContact CE1-CB 3.76Å; F451-P456 HydrophobicContact CE1-CG 3.65Å; F451-P456 HydrophobicContact CZ-CB 3.77Å; F451-P456 HydrophobicContact CZ-CG 4.19Å; Y452-P456 HydrophobicContact CD1-CG 4.05Å; Y452-P456 HydrophobicContact CE1-CG 4.46Å; P456-K460 CarbonylContact C-O 3.57Å; P456-K460 WeakPolarHBondContact CA-O 3.17Å; P456-V461 HydrophobicContact CB-CG1 3.92Å
457I90.3Very high92.1Very high133 Ų13364.7 Ų64.768%0.68237%0.366SS*.BIsolated β-bridgetrans-105.8124.1175.1-59.7174.8000107G459 K460I457-G459 PolarHBondContact O-N 3.23Å; I457-K460 PolarHBondContact N-O 3.33Å; I457-K460 PolarHBondContact O-N 3.14Å; I457-K460 VanDerWaalsContact O-N 3.09Å
458N89.8Confident92Very high166 Ų16671.2 Ų71.289%0.88840%0.395SS*.THydrogen-bonded Turntrans53.339-174.3-59-29.1000113.2K460N458-K460 VanDerWaalsContact C-N 3.26Å; N458-K460 PolarHBondContact O-N 3.09Å
459G90.7Very high92Very high40 Ų4071.1 Ų71.141%0.41239%0.393SS..THydrogen-bonded Turntrans72.814.1179.800000114.5F451 I457F451-G459 WeakPolarHBondContact CZ-O 3.49Å; I457-G459 PolarHBondContact O-N 3.23Å
460K93.5Very high91.9Very high56 Ų5664.9 Ų64.924%0.24336%0.364CS..BIsolated β-bridgetrans-130.1141.5179.3-67.2-167.5168.4-161.80112.5P456 I457 N458 D490 D492 L495 D496P456-K460 CarbonylContact C-O 3.57Å; P456-K460 WeakPolarHBondContact CA-O 3.17Å; I457-K460 PolarHBondContact N-O 3.33Å; I457-K460 PolarHBondContact O-N 3.14Å; I457-K460 VanDerWaalsContact O-N 3.09Å; N458-K460 VanDerWaalsContact C-N 3.26Å; N458-K460 PolarHBondContact O-N 3.09Å; K460-D490 IonicContact NZ-OD2 2.76Å; K460-D490 PolarHBondContact NZ-OD2 3.01Å; K460-D490 VanDerWaalsContact NZ-OD2 3.14Å; K460-D492 IonicContact NZ-OD2 2.83Å; K460-D492 PolarHBondContact NZ-OD2 3.08Å; K460-L495 CarbonylContact C-O 3.55Å; K460-L495 WeakPolarHBondContact CA-O 3.13Å; K460-D496 HydrophobicContact CG-CB 4.2Å
461V94.3Very high91.9Very high3 Ų366.2 Ų66.22%0.01837%0.371CS..EExtended strand (participates in β ladder)trans-98.6139.8171.1-64.70000110.7F451 L454 P456 A466 Y494 L495 F500F451-V461 HydrophobicContact CD2-CG1 3.89Å; F451-V461 HydrophobicContact CD2-CG2 4.28Å; F451-V461 HydrophobicContact CE2-CB 4.29Å; F451-V461 HydrophobicContact CE2-CG1 3.62Å; F451-V461 HydrophobicContact CE2-CG2 3.88Å; F451-V461 HydrophobicContact CZ-CG1 4.18Å; L454-V461 HydrophobicContact CB-CG1 3.88Å; L454-V461 HydrophobicContact CD1-CG1 4.38Å; P456-V461 HydrophobicContact CB-CG1 3.92Å; V461-A466 HydrophobicContact CG2-CB 4Å; V461-Y494 VanDerWaalsContact O-CA 3.31Å; V461-Y494 WeakPolarHBondContact O-CA 3.5Å; V461-Y494 WeakPolarHBondContact O-CB 3.47Å; V461-L495 HydrophobicContact CG2-CB 3.93Å; V461-L495 WeakPolarHBondContact CG2-O 3.32Å; V461-L495 PolarHBondContact N-O 2.93Å; V461-L495 PolarHBondContact O-N 3.29Å; V461-F500 HydrophobicContact CG2-CD2 4.19Å
462S93.4Very high91.9Very high50 Ų5072.6 Ų72.635%0.3540%0.399SS..EExtended strand (participates in β ladder)trans-67.2148.8175.769.90000111.8A464 A465 A466S462-A464 PolarHBondContact O-N 3.3Å; S462-A464 VanDerWaalsContact O-N 3.11Å; S462-A465 PolarHBondContact O-N 3.44Å; S462-A465 PolarHBondContact OG-N 3.1Å; S462-A466 PolarHBondContact O-N 2.88Å
463G89.5Confident91.8Very high21 Ų2167 Ų6722%0.21638%0.381CS..Hα-helixtrans-57.6-27175.300000114.5K467 G493G463-K467 WeakPolarHBondContact O-CB 3.32Å; G463-K467 PolarHBondContact O-N 3.26Å; G463-G493 PolarHBondContact N-O 3.46Å
464A89.9Confident91.7Very high79 Ų7971.3 Ų71.365%0.65339%0.391SS*.Hα-helixtrans-67.4-42.2172.500000112.7S462 K468S462-A464 PolarHBondContact O-N 3.3Å; S462-A464 VanDerWaalsContact O-N 3.11Å; A464-K468 PolarHBondContact O-N 2.53Å
465A91.4Very high91.5Very high28 Ų2870.7 Ų70.723%0.23139%0.388CS..Hα-helixtrans-70.2-47.6178.400000111.3S462 K467 K468 E469S462-A465 PolarHBondContact O-N 3.44Å; S462-A465 PolarHBondContact OG-N 3.1Å; A465-K467 PolarHBondContact O-N 3.37Å; A465-K468 WeakPolarHBondContact O-CB 3.43Å; A465-K468 PolarHBondContact O-N 3.3Å; A465-E469 PolarHBondContact O-N 3.41Å; A465-E469 VanDerWaalsContact O-N 3.14Å
466A91.8Very high91.4Very high0 Ų069.7 Ų69.70%038%0.379CS..Hα-helixtrans-61.6-43.8176.800000112.1V461 S462 K468 E469 M470 W484 L495V461-A466 HydrophobicContact CG2-CB 4Å; S462-A466 PolarHBondContact O-N 2.88Å; A466-K468 VanDerWaalsContact C-N 3.29Å; A466-K468 PolarHBondContact O-N 3.31Å; A466-E469 WeakPolarHBondContact O-CB 3.46Å; A466-E469 PolarHBondContact O-N 2.95Å; A466-M470 VanDerWaalsContact O-CG 3.26Å; A466-M470 WeakPolarHBondContact O-CG 3.16Å; A466-M470 PolarHBondContact O-N 3.48Å; A466-W484 HydrophobicContact CB-CH2 4.4Å; A466-W484 HydrophobicContact CB-CZ3 3.63Å; A466-L495 HydrophobicContact CB-CD1 3.88Å
467K90.9Very high90.9Very high124 Ų12473.2 Ų73.254%0.53940%0.396SS..Hα-helixtrans-57.7-41.6174.6179.9178.2-179.4178.30112.3G463 A465 E469 M470 L471G463-K467 WeakPolarHBondContact O-CB 3.32Å; G463-K467 PolarHBondContact O-N 3.26Å; A465-K467 PolarHBondContact O-N 3.37Å; K467-E469 VanDerWaalsContact C-N 3.27Å; K467-E469 PolarHBondContact O-N 3.13Å; K467-M470 PolarHBondContact O-N 2.89Å; K467-L471 HydrophobicContact CG-CD1 4.3Å; K467-L471 VanDerWaalsContact O-CG 3.25Å; K467-L471 WeakPolarHBondContact O-CG 3.37Å; K467-L471 PolarHBondContact O-N 3.17Å
468K92.7Very high90.6Very high160 Ų16072.4 Ų72.470%0.69640%0.397SS*.Hα-helixtrans-61.6-38.1177.4-174.5-177.9176.3-174.20111.3A464 A465 A466A464-K468 PolarHBondContact O-N 2.53Å; A465-K468 WeakPolarHBondContact O-CB 3.43Å; A465-K468 PolarHBondContact O-N 3.3Å; A466-K468 VanDerWaalsContact C-N 3.29Å; A466-K468 PolarHBondContact O-N 3.31Å
469E93.3Very high90.3Very high29 Ų2965.8 Ų65.814%0.13636%0.363CS..Hα-helixtrans-69.8-50.1175.5-166.159-149.600111.9I450 L454 A465 A466 K467 L471 K472 F500I450-E469 HydrophobicContact CG2-CG 3.94Å; L454-E469 HydrophobicContact CD1-CB 4.06Å; L454-E469 HydrophobicContact CD1-CG 4.23Å; L454-E469 HydrophobicContact CD2-CB 4.31Å; L454-E469 HydrophobicContact CD2-CG 4.49Å; A465-E469 PolarHBondContact O-N 3.41Å; A465-E469 VanDerWaalsContact O-N 3.14Å; A466-E469 WeakPolarHBondContact O-CB 3.46Å; A466-E469 PolarHBondContact O-N 2.95Å; K467-E469 VanDerWaalsContact C-N 3.27Å; K467-E469 PolarHBondContact O-N 3.13Å; E469-L471 PolarHBondContact O-N 3.17Å; E469-L471 VanDerWaalsContact O-N 3.16Å; E469-K472 VanDerWaalsContact O-CB 3.25Å; E469-K472 WeakPolarHBondContact O-CB 3.36Å; E469-K472 WeakPolarHBondContact O-CG 3.36Å; E469-K472 PolarHBondContact O-N 3.34Å; E469-K472 WeakPolarHBondContact OE1-CD 3.08Å; E469-K472 WeakPolarHBondContact OE1-CE 3.4Å; E469-K472 IonicContact OE1-NZ 3.62Å; E469-K472 PolarHBondContact OE1-NZ 3Å; E469-K472 WeakPolarHBondContact OE2-CE 3.38Å; E469-K472 IonicContact OE2-NZ 2.81Å; E469-K472 PolarHBondContact OE2-NZ 3.12Å; E469-F500 HydrophobicContact CG-CE2 4.49Å; E469-F500 HydrophobicContact CG-CZ 4.09Å
470M91.8Very high90.2Very high10 Ų1064.4 Ų64.45%0.04935%0.346CS..Hα-helixtrans-56.7-34.1179.5-68173.474.400112.7A466 K467 K472 S473 L480 I483 W484 I507A466-M470 VanDerWaalsContact O-CG 3.26Å; A466-M470 WeakPolarHBondContact O-CG 3.16Å; A466-M470 PolarHBondContact O-N 3.48Å; K467-M470 PolarHBondContact O-N 2.89Å; M470-K472 PolarHBondContact O-N 3.02Å; M470-S473 WeakPolarHBondContact O-CB 3.42Å; M470-S473 PolarHBondContact O-N 2.91Å; M470-S473 VanDerWaalsContact O-N 3.14Å; M470-S473 PolarHBondContact O-OG 3.11Å; M470-L480 HydrophobicContact CB-CD1 4.45Å; M470-L480 HydrophobicContact CB-CD2 4.15Å; M470-L480 HydrophobicContact CE-CB 4.41Å; M470-L480 HydrophobicContact CE-CD2 4.21Å; M470-L480 WeakPolarHBondContact CE-O 3.46Å; M470-I483 HydrophobicContact CE-CB 3.94Å; M470-I483 HydrophobicContact CE-CG2 3.68Å; M470-W484 HydrophobicContact SD-CE3 4.09Å; M470-I507 HydrophobicContact CB-CD1 4.16Å; M470-I507 HydrophobicContact CE-CD1 4.4Å; M470-I507 HydrophobicContact CG-CD1 3.98Å
471L92.8Very high90Very high78 Ų7863.8 Ų63.841%0.40836%0.356SS..G310 helixtrans-60.9-22.8176.1-79.4168000113.7K467 E469 S473 K474 N477 L480K467-L471 HydrophobicContact CG-CD1 4.3Å; K467-L471 VanDerWaalsContact O-CG 3.25Å; K467-L471 WeakPolarHBondContact O-CG 3.37Å; K467-L471 PolarHBondContact O-N 3.17Å; E469-L471 PolarHBondContact O-N 3.17Å; E469-L471 VanDerWaalsContact O-N 3.16Å; L471-S473 PolarHBondContact O-N 2.95Å; L471-K474 PolarHBondContact O-N 3.19Å; L471-N477 WeakPolarHBondContact CD2-OD1 3.39Å; L471-L480 HydrophobicContact CD2-CD1 3.91Å; L471-L480 HydrophobicContact CG-CD1 4.32Å
472K92.6Very high89.8Confident136 Ų13667.7 Ų67.759%0.59137%0.372SS*.G310 helixtrans-66.3-22.3176.6-63-179.8-173.9166.90113E469 M470 K474E469-K472 VanDerWaalsContact O-CB 3.25Å; E469-K472 WeakPolarHBondContact O-CB 3.36Å; E469-K472 WeakPolarHBondContact O-CG 3.36Å; E469-K472 PolarHBondContact O-N 3.34Å; E469-K472 WeakPolarHBondContact OE1-CD 3.08Å; E469-K472 WeakPolarHBondContact OE1-CE 3.4Å; E469-K472 IonicContact OE1-NZ 3.62Å; E469-K472 PolarHBondContact OE1-NZ 3Å; E469-K472 WeakPolarHBondContact OE2-CE 3.38Å; E469-K472 IonicContact OE2-NZ 2.81Å; E469-K472 PolarHBondContact OE2-NZ 3.12Å; M470-K472 PolarHBondContact O-N 3.02Å; K472-K474 PolarHBondContact O-N 3.26Å
473S91.1Very high89.8Confident25 Ų2565.3 Ų65.318%0.17536%0.355CS..G310 helixtrans-65.3-15.6174.968.60000113.9M470 L471 L475M470-S473 WeakPolarHBondContact O-CB 3.42Å; M470-S473 PolarHBondContact O-N 2.91Å; M470-S473 VanDerWaalsContact O-N 3.14Å; M470-S473 PolarHBondContact O-OG 3.11Å; L471-S473 PolarHBondContact O-N 2.95Å; S473-L475 PolarHBondContact O-N 3.1Å; S473-L475 PolarHBondContact OG-N 2.77Å
474K91.8Very high90Very high193 Ų19367 Ų6784%0.83936%0.355SS*.  trans61.116.6-175.1-53.5178.5-178.71750114.6L471 K472L471-K474 PolarHBondContact O-N 3.19Å; K472-K474 PolarHBondContact O-N 3.26Å
475L86.6Confident90.2Very high24 Ų2471.4 Ų71.413%0.12636%0.36CS..  trans-71.3151.5171.5-68.2175.3000111.3S473 V479 L480 I483 I507 K510 L511S473-L475 PolarHBondContact O-N 3.1Å; S473-L475 PolarHBondContact OG-N 2.77Å; L475-V479 HydrophobicContact CB-CG1 4.4Å; L475-V479 HydrophobicContact CD1-CG1 4.26Å; L475-L480 HydrophobicContact CB-CD2 3.84Å; L475-L480 HydrophobicContact CB-CG 4.04Å; L475-L480 HydrophobicContact CD1-CD2 4.16Å; L475-I483 HydrophobicContact CD1-CD1 4.1Å; L475-I507 HydrophobicContact CD1-CB 4.44Å; L475-I507 HydrophobicContact CD1-CG1 4.3Å; L475-I507 HydrophobicContact CD1-CG2 4.08Å; L475-K510 HydrophobicContact CD1-CB 4.1Å; L475-K510 HydrophobicContact CD1-CG 4.11Å; L475-K510 HydrophobicContact CD2-CG 4Å; L475-L511 HydrophobicContact CD2-CD2 3.87Å; L475-L511 HydrophobicContact CD2-CG 4.45Å; L475-L511 HydrophobicContact CG-CD2 4.19Å
476P89.1Confident90.2Very high74 Ų7470.8 Ų70.848%0.48135%0.352SS..  trans-57.5143.6175.4-24.333.7000112.6T478 V479 L480P476-T478 PolarHBondContact O-N 3.42Å; P476-T478 VanDerWaalsContact O-N 3.1Å; P476-V479 HydrophobicContact CB-CB 4.5Å; P476-V479 HydrophobicContact CB-CG2 4.14Å; P476-V479 HydrophobicContact CG-CG2 4.19Å; P476-V479 WeakPolarHBondContact O-CA 3.5Å; P476-V479 WeakPolarHBondContact O-CB 3.45Å; P476-V479 PolarHBondContact O-N 3.01Å; P476-L480 PolarHBondContact O-N 2.78Å
477N82.5Confident90.4Very high108 Ų10870.8 Ų70.858%0.57835%0.352SS*.Hα-helixtrans-55.2-32.4178.8-83-28.8000113.5L471 V479 G481L471-N477 WeakPolarHBondContact CD2-OD1 3.39Å; N477-V479 VanDerWaalsContact C-N 3.34Å; N477-G481 PolarHBondContact O-N 3.18Å
478T83.4Confident90.6Very high116 Ų11665.6 Ų65.671%0.71233%0.331SS*.Hα-helixtrans-64.5-38.5175.649.70000112.1P476 K482P476-T478 PolarHBondContact O-N 3.42Å; P476-T478 VanDerWaalsContact O-N 3.1Å; T478-K482 PolarHBondContact O-N 3.21Å
479V84.1Confident90.6Very high28 Ų2860 Ų6017%0.1731%0.31CS..Hα-helixtrans-72.5-46.2177.1175.50000110.3L475 P476 N477 G481 K482 I483 K510 L516L475-V479 HydrophobicContact CB-CG1 4.4Å; L475-V479 HydrophobicContact CD1-CG1 4.26Å; P476-V479 HydrophobicContact CB-CB 4.5Å; P476-V479 HydrophobicContact CB-CG2 4.14Å; P476-V479 HydrophobicContact CG-CG2 4.19Å; P476-V479 WeakPolarHBondContact O-CA 3.5Å; P476-V479 WeakPolarHBondContact O-CB 3.45Å; P476-V479 PolarHBondContact O-N 3.01Å; N477-V479 VanDerWaalsContact C-N 3.34Å; V479-G481 VanDerWaalsContact C-N 3.28Å; V479-G481 PolarHBondContact O-N 3.14Å; V479-K482 WeakPolarHBondContact O-CB 3.28Å; V479-K482 PolarHBondContact O-N 3.39Å; V479-I483 HydrophobicContact CG1-CD1 4.21Å; V479-I483 WeakPolarHBondContact O-CG1 3.37Å; V479-I483 PolarHBondContact O-N 2.91Å; V479-K510 HydrophobicContact CG1-CD 4.46Å; V479-K510 HydrophobicContact CG1-CG 3.76Å; V479-L516 HydrophobicContact CG1-CD1 3.85Å
480L88.6Confident90.5Very high11 Ų1161.9 Ų61.96%0.05832%0.321CS..Hα-helixtrans-61.2-37176.7-66.5-178.8000112.4M470 L471 L475 P476 K482 I483 W484 I507M470-L480 HydrophobicContact CB-CD1 4.45Å; M470-L480 HydrophobicContact CB-CD2 4.15Å; M470-L480 HydrophobicContact CE-CB 4.41Å; M470-L480 HydrophobicContact CE-CD2 4.21Å; M470-L480 WeakPolarHBondContact CE-O 3.46Å; L471-L480 HydrophobicContact CD2-CD1 3.91Å; L471-L480 HydrophobicContact CG-CD1 4.32Å; L475-L480 HydrophobicContact CB-CD2 3.84Å; L475-L480 HydrophobicContact CB-CG 4.04Å; L475-L480 HydrophobicContact CD1-CD2 4.16Å; P476-L480 PolarHBondContact O-N 2.78Å; L480-K482 VanDerWaalsContact C-N 3.33Å; L480-K482 PolarHBondContact O-N 2.93Å; L480-I483 HydrophobicContact CD2-CD1 4.39Å; L480-I483 PolarHBondContact O-N 3.33Å; L480-W484 PolarHBondContact O-N 2.97Å; L480-I507 HydrophobicContact CD2-CD1 4.4Å; L480-I507 HydrophobicContact CD2-CG1 4.41Å
481G88.1Confident90.6Very high43 Ų4369.7 Ų69.744%0.44335%0.354SS..Hα-helixtrans-64.1-36173.100000113.1N477 V479 K485N477-G481 PolarHBondContact O-N 3.18Å; V479-G481 VanDerWaalsContact C-N 3.28Å; V479-G481 PolarHBondContact O-N 3.14Å; G481-K485 PolarHBondContact O-N 3.39Å
482K89.8Confident90.5Very high84 Ų8469 Ų6937%0.36535%0.351SS..Hα-helixtrans-67.1-43.8173.2-171.2179.3-179.6-173.60111.4T478 V479 L480 K485 L486 L516 P517T478-K482 PolarHBondContact O-N 3.21Å; V479-K482 WeakPolarHBondContact O-CB 3.28Å; V479-K482 PolarHBondContact O-N 3.39Å; L480-K482 VanDerWaalsContact C-N 3.33Å; L480-K482 PolarHBondContact O-N 2.93Å; K482-K485 PolarHBondContact O-N 3.37Å; K482-L486 HydrophobicContact CG-CD1 4.31Å; K482-L486 WeakPolarHBondContact O-CG 3.33Å; K482-L486 PolarHBondContact O-N 3.05Å; K482-L486 VanDerWaalsContact O-N 3.14Å; K482-L516 HydrophobicContact CB-CD1 4.47Å; K482-L516 HydrophobicContact CD-CB 4.08Å; K482-L516 HydrophobicContact CD-CD1 4.23Å; K482-L516 HydrophobicContact CG-CD1 4.46Å; K482-L516 PolarHBondContact NZ-O 2.95Å; K482-P517 WeakPolarHBondContact CE-O 3.37Å; K482-P517 PolarHBondContact NZ-O 2.95Å
483I94.2Very high90.5Very high0 Ų064 Ų640%034%0.339CS..Hα-helixtrans-61.1-46.7177-65.5173.4000110.7M470 L475 V479 L480 K485 L486 A487 A503 L506 I507 L516M470-I483 HydrophobicContact CE-CB 3.94Å; M470-I483 HydrophobicContact CE-CG2 3.68Å; L475-I483 HydrophobicContact CD1-CD1 4.1Å; V479-I483 HydrophobicContact CG1-CD1 4.21Å; V479-I483 WeakPolarHBondContact O-CG1 3.37Å; V479-I483 PolarHBondContact O-N 2.91Å; L480-I483 HydrophobicContact CD2-CD1 4.39Å; L480-I483 PolarHBondContact O-N 3.33Å; I483-K485 VanDerWaalsContact C-N 3.32Å; I483-K485 PolarHBondContact O-N 3.5Å; I483-L486 PolarHBondContact O-N 3.36Å; I483-L486 VanDerWaalsContact O-N 3.09Å; I483-A487 WeakPolarHBondContact O-CB 3.32Å; I483-A487 PolarHBondContact O-N 2.9Å; I483-A503 HydrophobicContact CG2-CB 4.32Å; I483-L506 HydrophobicContact CG1-CB 4.26Å; I483-L506 HydrophobicContact CG2-CB 3.87Å; I483-L506 HydrophobicContact CG2-CD1 4.27Å; I483-I507 HydrophobicContact CD1-CB 4.48Å; I483-I507 HydrophobicContact CD1-CG1 3.66Å; I483-I507 HydrophobicContact CG2-CG1 4.36Å; I483-L516 HydrophobicContact CD1-CD1 4.01Å; I483-L516 HydrophobicContact CD1-CD2 4.49Å; I483-L516 HydrophobicContact CG1-CD1 3.45Å; I483-L516 VanDerWaalsContact CG1-CD1 3.45Å; I483-L516 HydrophobicContact CG1-CD2 4.1Å; I483-L516 HydrophobicContact CG1-CG 4.43Å
484W94.3Very high90.6Very high56 Ų5668.3 Ų68.321%0.21235%0.352CS..Hα-helixtrans-52.8-50.9175.6177.3-83.3000111.5A466 M470 L480 L486 A487 D488 L495A466-W484 HydrophobicContact CB-CH2 4.4Å; A466-W484 HydrophobicContact CB-CZ3 3.63Å; M470-W484 HydrophobicContact SD-CE3 4.09Å; L480-W484 PolarHBondContact O-N 2.97Å; W484-L486 PolarHBondContact O-N 3Å; W484-A487 PolarHBondContact O-N 2.8Å; W484-A487 VanDerWaalsContact O-N 3.13Å; W484-D488 PolarHBondContact NE1-OD2 2.93Å; W484-D488 WeakPolarHBondContact O-CB 3.45Å; W484-D488 PolarHBondContact O-N 2.75Å; W484-L495 HydrophobicContact CE3-CD1 4.1Å; W484-L495 HydrophobicContact CE3-CG 4.48Å; W484-L495 HydrophobicContact CH2-CD1 4.14Å; W484-L495 HydrophobicContact CH2-CD2 4.18Å; W484-L495 HydrophobicContact CH2-CG 3.76Å; W484-L495 HydrophobicContact CZ3-CD1 3.52Å; W484-L495 HydrophobicContact CZ3-CD2 4.2Å; W484-L495 HydrophobicContact CZ3-CG 3.68Å
485K93.1Very high90.8Very high173 Ų17359.1 Ų59.175%0.75231%0.312SS*.Hα-helixtrans-62.1-28.6-179-174.2179.7176.4-171.50113.2G481 K482 I483G481-K485 PolarHBondContact O-N 3.39Å; K482-K485 PolarHBondContact O-N 3.37Å; I483-K485 VanDerWaalsContact C-N 3.32Å; I483-K485 PolarHBondContact O-N 3.5Å
486L92.3Very high91.3Very high14 Ų1458.8 Ų58.87%0.07331%0.31CS..Hα-helixtrans-82.2-32.5176.5-69.8169.3000112.1K482 I483 W484 L506 P517 L520K482-L486 HydrophobicContact CG-CD1 4.31Å; K482-L486 WeakPolarHBondContact O-CG 3.33Å; K482-L486 PolarHBondContact O-N 3.05Å; K482-L486 VanDerWaalsContact O-N 3.14Å; I483-L486 PolarHBondContact O-N 3.36Å; I483-L486 VanDerWaalsContact O-N 3.09Å; W484-L486 PolarHBondContact O-N 3Å; L486-L506 HydrophobicContact CB-CD1 3.75Å; L486-L506 HydrophobicContact CD1-CD1 4.23Å; L486-P517 HydrophobicContact CD1-CG 4.13Å; L486-L520 HydrophobicContact CD2-CB 4.2Å
487A95.4Very high91.6Very high0 Ų057.6 Ų57.60%030%0.3CS..Hα-helixtrans-85.8-33.1-175.600000114.1I483 W484 V489 L495 E499 L502 A503I483-A487 WeakPolarHBondContact O-CB 3.32Å; I483-A487 PolarHBondContact O-N 2.9Å; W484-A487 PolarHBondContact O-N 2.8Å; W484-A487 VanDerWaalsContact O-N 3.13Å; A487-V489 VanDerWaalsContact C-N 3.28Å; A487-V489 PolarHBondContact O-N 2.86Å; A487-L495 HydrophobicContact CB-CD2 4.34Å; A487-E499 WeakPolarHBondContact O-CB 3.4Å; A487-E499 VanDerWaalsContact O-CG 3.28Å; A487-E499 WeakPolarHBondContact O-CG 3.31Å; A487-L502 HydrophobicContact CB-CG 4.42Å; A487-A503 HydrophobicContact CB-CB 3.69Å
488D95.4Very high92.2Very high15 Ų1554 Ų548%0.0828%0.28CS..  trans-76.776.8174.6-177.65.3000109.4W484 K491 D492 G493 L495W484-D488 PolarHBondContact NE1-OD2 2.93Å; W484-D488 WeakPolarHBondContact O-CB 3.45Å; W484-D488 PolarHBondContact O-N 2.75Å; D488-K491 PolarHBondContact O-N 3.14Å; D488-K491 WeakPolarHBondContact OD1-CA 3.32Å; D488-K491 PolarHBondContact OD1-N 2.88Å; D488-D492 PolarHBondContact OD1-N 3.49Å; D488-G493 PolarHBondContact OD2-N 3.43Å; D488-L495 HydrophobicContact CB-CD2 4.01Å
489V93.4Very high92.9Very high44 Ų4448.5 Ų48.527%0.26725%0.246SC..SBendtrans-72.1-41.5-168.9176.10000110.9A487 K491 E499 L502 L520 P526 K529A487-V489 VanDerWaalsContact C-N 3.28Å; A487-V489 PolarHBondContact O-N 2.86Å; V489-K491 VanDerWaalsContact C-N 3.32Å; V489-E499 PolarHBondContact N-OE1 3.14Å; V489-L502 HydrophobicContact CG2-CD2 4.21Å; V489-L520 HydrophobicContact CG2-CD2 3.75Å; V489-P526 HydrophobicContact CG2-CG 4.45Å; V489-K529 HydrophobicContact CG1-CB 3.96Å; V489-K529 HydrophobicContact CG1-CG 4.42Å
490D91Very high93.4Very high67 Ų6747.2 Ų47.236%0.35824%0.238SC..SBendtrans-82-8.7177.470.716.5000113.9K460 D492 E499 K529K460-D490 IonicContact NZ-OD2 2.76Å; K460-D490 PolarHBondContact NZ-OD2 3.01Å; K460-D490 VanDerWaalsContact NZ-OD2 3.14Å; D490-D492 VanDerWaalsContact C-N 3.28Å; D490-D492 PolarHBondContact O-N 2.89Å; D490-D492 WeakPolarHBondContact OD1-CB 3.33Å; D490-D492 VanDerWaalsContact OD1-CG 3.23Å; D490-D492 PolarHBondContact OD1-N 3.5Å; D490-E499 PolarHBondContact N-OE1 3.28Å; D490-K529 IonicContact OD2-NZ 2.72Å; D490-K529 PolarHBondContact OD2-NZ 3.47Å
491K92.3Very high93.8Very high174 Ų17446.7 Ų46.776%0.75724%0.235SC*.  trans62.131.8174.7-56.7177.9-176.4169.10113.1D488 V489 G493D488-K491 PolarHBondContact O-N 3.14Å; D488-K491 WeakPolarHBondContact OD1-CA 3.32Å; D488-K491 PolarHBondContact OD1-N 2.88Å; V489-K491 VanDerWaalsContact C-N 3.32Å; K491-G493 VanDerWaalsContact C-N 3.35Å
492D91.6Very high94.2Very high63 Ų6344.6 Ų44.634%0.33721%0.214SC..SBendtrans-86.5-7.6179.484-10.1000113.4K460 D488 D490 Y494K460-D492 IonicContact NZ-OD2 2.83Å; K460-D492 PolarHBondContact NZ-OD2 3.08Å; D488-D492 PolarHBondContact OD1-N 3.49Å; D490-D492 VanDerWaalsContact C-N 3.28Å; D490-D492 PolarHBondContact O-N 2.89Å; D490-D492 WeakPolarHBondContact OD1-CB 3.33Å; D490-D492 VanDerWaalsContact OD1-CG 3.23Å; D490-D492 PolarHBondContact OD1-N 3.5Å; D492-Y494 VanDerWaalsContact C-N 3.34Å; D492-Y494 WeakPolarHBondContact O-CD2 3.46Å; D492-Y494 WeakPolarHBondContact OD1-CA 3.34Å; D492-Y494 WeakPolarHBondContact OD1-CB 3.48Å; D492-Y494 PolarHBondContact OD1-N 3.26Å
493G91.9Very high94.5Very high32 Ų3240.7 Ų40.733%0.3320%0.197SC..SBendtrans83.98.117900000114.4G463 D488 K491G463-G493 PolarHBondContact N-O 3.46Å; D488-G493 PolarHBondContact OD2-N 3.43Å; K491-G493 VanDerWaalsContact C-N 3.35Å
494Y94.7Very high94.6Very high115 Ų11541.9 Ų41.945%0.45120%0.203SC..EExtended strand (participates in β ladder)trans-119.9172.2172.2-60.1-98.5000108.8V461 D492V461-Y494 VanDerWaalsContact O-CA 3.31Å; V461-Y494 WeakPolarHBondContact O-CA 3.5Å; V461-Y494 WeakPolarHBondContact O-CB 3.47Å; D492-Y494 VanDerWaalsContact C-N 3.34Å; D492-Y494 WeakPolarHBondContact O-CD2 3.46Å; D492-Y494 WeakPolarHBondContact OD1-CA 3.34Å; D492-Y494 WeakPolarHBondContact OD1-CB 3.48Å; D492-Y494 PolarHBondContact OD1-N 3.26Å
495L95.8Very high94.6Very high1 Ų139.3 Ų39.31%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-126.3127.8168.8-58.7174.7000108.1K460 V461 A466 W484 A487 D488 E499 F500 A503K460-L495 CarbonylContact C-O 3.55Å; K460-L495 WeakPolarHBondContact CA-O 3.13Å; V461-L495 HydrophobicContact CG2-CB 3.93Å; V461-L495 WeakPolarHBondContact CG2-O 3.32Å; V461-L495 PolarHBondContact N-O 2.93Å; V461-L495 PolarHBondContact O-N 3.29Å; A466-L495 HydrophobicContact CB-CD1 3.88Å; W484-L495 HydrophobicContact CE3-CD1 4.1Å; W484-L495 HydrophobicContact CE3-CG 4.48Å; W484-L495 HydrophobicContact CH2-CD1 4.14Å; W484-L495 HydrophobicContact CH2-CD2 4.18Å; W484-L495 HydrophobicContact CH2-CG 3.76Å; W484-L495 HydrophobicContact CZ3-CD1 3.52Å; W484-L495 HydrophobicContact CZ3-CD2 4.2Å; W484-L495 HydrophobicContact CZ3-CG 3.68Å; A487-L495 HydrophobicContact CB-CD2 4.34Å; D488-L495 HydrophobicContact CB-CD2 4.01Å; L495-E499 HydrophobicContact CB-CB 4.06Å; L495-E499 HydrophobicContact CD2-CB 3.84Å; L495-F500 HydrophobicContact CB-CB 4.33Å; L495-F500 HydrophobicContact CD1-CD2 4.33Å; L495-A503 HydrophobicContact CD1-CB 4.34Å
496D96.1Very high94.6Very high17 Ų1731 Ų319%0.09116%0.158CC..  trans-75.2-177.516262.440000111.5F451 K460 E498 E499 F500 K529F451-D496 WeakPolarHBondContact CE2-O 3.36Å; K460-D496 HydrophobicContact CG-CB 4.2Å; D496-E498 VanDerWaalsContact C-N 3.35Å; D496-E498 PolarHBondContact O-N 2.93Å; D496-E498 PolarHBondContact OD1-N 2.82Å; D496-E498 VanDerWaalsContact OD1-N 3.14Å; D496-E499 PolarHBondContact N-OE2 3.02Å; D496-E499 VanDerWaalsContact N-OE2 3.14Å; D496-E499 PolarHBondContact O-N 2.76Å; D496-E499 WeakPolarHBondContact OD1-CB 3.37Å; D496-E499 WeakPolarHBondContact OD1-CG 3.35Å; D496-E499 PolarHBondContact OD1-N 3.27Å; D496-F500 WeakPolarHBondContact O-CB 3.37Å; D496-F500 PolarHBondContact O-N 3.21Å; D496-K529 WeakPolarHBondContact OD2-CE 3.5Å; D496-K529 IonicContact OD2-NZ 2.72Å; D496-K529 PolarHBondContact OD2-NZ 3.47Å
497D95.3Very high94.7Very high48 Ų4831 Ų3126%0.25716%0.158SC..Hα-helixtrans-66.3-35-176.362.8-53.2000112.7K444 F451 A501K444-D497 IonicContact NZ-OD2 2.73Å; K444-D497 PolarHBondContact NZ-OD2 3.05Å; F451-D497 HydrophobicContact CD1-CB 3.98Å; F451-D497 HydrophobicContact CE1-CB 3.8Å; F451-D497 HydrophobicContact CG-CB 4.41Å; F451-D497 HydrophobicContact CZ-CB 4.08Å; D497-A501 WeakPolarHBondContact O-CB 3.43Å; D497-A501 PolarHBondContact O-N 2.56Å
498E96.1Very high94.5Very high33 Ų3333.9 Ų33.915%0.15417%0.17CC..Hα-helixtrans-73.6-42.1175.9-59.1-167.1133.600111.8W438 D496 F500 A501 L502 P526 S528W438-E498 HydrophobicContact CH2-CB 3.89Å; W438-E498 WeakPolarHBondContact CH2-O 3.32Å; W438-E498 HydrophobicContact CZ3-CB 4.17Å; W438-E498 HydrophobicContact CZ3-CG 4.3Å; D496-E498 VanDerWaalsContact C-N 3.35Å; D496-E498 PolarHBondContact O-N 2.93Å; D496-E498 PolarHBondContact OD1-N 2.82Å; D496-E498 VanDerWaalsContact OD1-N 3.14Å; E498-F500 VanDerWaalsContact C-N 3.31Å; E498-F500 PolarHBondContact O-N 3.05Å; E498-A501 PolarHBondContact O-N 2.79Å; E498-L502 WeakPolarHBondContact O-CB 3.26Å; E498-L502 PolarHBondContact O-N 2.72Å; E498-P526 HydrophobicContact CB-CB 3.76Å; E498-P526 HydrophobicContact CB-CG 4.18Å; E498-P526 WeakPolarHBondContact OE2-CB 3.25Å; E498-S528 WeakPolarHBondContact OE2-CB 3.18Å; E498-S528 PolarHBondContact OE2-N 2.93Å; E498-S528 PolarHBondContact OE2-OG 3.3Å
499E96.6Very high94.1Very high0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-65.8-36.1176.3-69.8173.9153.400111.6A487 V489 D490 L495 D496 L502 A503 K529A487-E499 WeakPolarHBondContact O-CB 3.4Å; A487-E499 VanDerWaalsContact O-CG 3.28Å; A487-E499 WeakPolarHBondContact O-CG 3.31Å; V489-E499 PolarHBondContact N-OE1 3.14Å; D490-E499 PolarHBondContact N-OE1 3.28Å; L495-E499 HydrophobicContact CB-CB 4.06Å; L495-E499 HydrophobicContact CD2-CB 3.84Å; D496-E499 PolarHBondContact N-OE2 3.02Å; D496-E499 VanDerWaalsContact N-OE2 3.14Å; D496-E499 PolarHBondContact O-N 2.76Å; D496-E499 WeakPolarHBondContact OD1-CB 3.37Å; D496-E499 WeakPolarHBondContact OD1-CG 3.35Å; D496-E499 PolarHBondContact OD1-N 3.27Å; E499-L502 PolarHBondContact O-N 2.73Å; E499-A503 PolarHBondContact O-N 2.82Å; E499-K529 VanDerWaalsContact CD-NZ 3.26Å; E499-K529 IonicContact OE1-NZ 3.37Å; E499-K529 PolarHBondContact OE1-NZ 3.37Å; E499-K529 IonicContact OE2-NZ 3.13Å
500F96.3Very high93.7Very high1 Ų134 Ų340%0.00417%0.166CC..Hα-helixtrans-68.1-40.8173.3-173.3-96.5000112.3I450 F451 L454 V461 E469 L495 D496 E498 L502 A503 N504I450-F500 HydrophobicContact CB-CE1 4.09Å; I450-F500 HydrophobicContact CB-CZ 4.45Å; I450-F500 HydrophobicContact CG2-CE1 3.98Å; I450-F500 HydrophobicContact CG2-CZ 3.83Å; F451-F500 HydrophobicContact CB-CD1 3.66Å; F451-F500 HydrophobicContact CB-CE1 3.92Å; F451-F500 HydrophobicContact CB-CG 4.3Å; F451-F500 HydrophobicContact CD2-CB 3.54Å; F451-F500 AromaticContact CD2-CD1 3.82Å; F451-F500 HydrophobicContact CD2-CD1 3.82Å; F451-F500 HydrophobicContact CD2-CD2 4.12Å; F451-F500 AromaticContact CD2-CG 3.56Å; F451-F500 HydrophobicContact CD2-CG 3.56Å; F451-F500 HydrophobicContact CE2-CB 3.97Å; F451-F500 HydrophobicContact CE2-CG 4.38Å; F451-F500 HydrophobicContact CG-CD1 4.22Å; F451-F500 HydrophobicContact CG-CG 4.4Å; L454-F500 HydrophobicContact CD1-CD2 4.49Å; L454-F500 HydrophobicContact CD1-CE2 3.56Å; L454-F500 HydrophobicContact CD1-CZ 3.7Å; V461-F500 HydrophobicContact CG2-CD2 4.19Å; E469-F500 HydrophobicContact CG-CE2 4.49Å; E469-F500 HydrophobicContact CG-CZ 4.09Å; L495-F500 HydrophobicContact CB-CB 4.33Å; L495-F500 HydrophobicContact CD1-CD2 4.33Å; D496-F500 WeakPolarHBondContact O-CB 3.37Å; D496-F500 PolarHBondContact O-N 3.21Å; E498-F500 VanDerWaalsContact C-N 3.31Å; E498-F500 PolarHBondContact O-N 3.05Å; F500-L502 VanDerWaalsContact C-N 3.34Å; F500-A503 PolarHBondContact O-N 3.03Å; F500-N504 VanDerWaalsContact CD1-ND2 3.3Å; F500-N504 WeakPolarHBondContact CD1-ND2 3.33Å; F500-N504 WeakPolarHBondContact CE1-ND2 3.4Å; F500-N504 WeakPolarHBondContact CZ-ND2 3.2Å; F500-N504 PolarHBondContact O-N 3.22Å; F500-N504 VanDerWaalsContact O-N 3.08Å; F500-N504 PolarHBondContact O-ND2 2.93Å
501A96Very high93.4Very high0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-61-43.5173.200000111.5W438 V440 K444 Y447 D497 E498 A503 N504 H505W438-A501 HydrophobicContact CH2-CB 4.34Å; V440-A501 HydrophobicContact CG1-CB 3.85Å; K444-A501 HydrophobicContact CG-CB 4.06Å; Y447-A501 HydrophobicContact CD2-CB 3.82Å; Y447-A501 HydrophobicContact CG-CB 4.43Å; D497-A501 WeakPolarHBondContact O-CB 3.43Å; D497-A501 PolarHBondContact O-N 2.56Å; E498-A501 PolarHBondContact O-N 2.79Å; A501-A503 PolarHBondContact O-N 3.2Å; A501-N504 PolarHBondContact O-N 2.64Å; A501-H505 PolarHBondContact O-N 3.4Å
502L96.2Very high92.9Very high0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-60.2-43.7174.617759.2000111.9W438 V440 A487 V489 E498 E499 F500 N504 H505 L506 L520 L524 P526W438-L502 HydrophobicContact CZ2-CB 4.27Å; V440-L502 HydrophobicContact CG2-CD1 4.34Å; A487-L502 HydrophobicContact CB-CG 4.42Å; V489-L502 HydrophobicContact CG2-CD2 4.21Å; E498-L502 WeakPolarHBondContact O-CB 3.26Å; E498-L502 PolarHBondContact O-N 2.72Å; E499-L502 PolarHBondContact O-N 2.73Å; F500-L502 VanDerWaalsContact C-N 3.34Å; L502-N504 VanDerWaalsContact C-N 3.33Å; L502-N504 PolarHBondContact O-N 3.36Å; L502-H505 PolarHBondContact O-N 3.09Å; L502-L506 HydrophobicContact CD1-CD1 4.25Å; L502-L506 HydrophobicContact CD1-CG 4.18Å; L502-L506 HydrophobicContact CG-CD1 4.27Å; L502-L506 WeakPolarHBondContact O-CG 3.07Å; L502-L506 PolarHBondContact O-N 2.85Å; L502-L520 HydrophobicContact CD1-CD1 4.09Å; L502-L520 HydrophobicContact CD2-CD1 3.95Å; L502-L520 HydrophobicContact CD2-CD2 3.65Å; L502-L520 HydrophobicContact CD2-CG 4.48Å; L502-L524 HydrophobicContact CD1-CB 4.23Å; L502-P526 HydrophobicContact CD2-CG 4.29Å
503A96.4Very high92.1Very high1 Ų132.2 Ų32.21%0.00818%0.176CC..Hα-helixtrans-59.3-42.9176.900000112.1I483 A487 L495 E499 F500 A501 L506 I507I483-A503 HydrophobicContact CG2-CB 4.32Å; A487-A503 HydrophobicContact CB-CB 3.69Å; L495-A503 HydrophobicContact CD1-CB 4.34Å; E499-A503 PolarHBondContact O-N 2.82Å; F500-A503 PolarHBondContact O-N 3.03Å; A501-A503 PolarHBondContact O-N 3.2Å; A503-L506 PolarHBondContact O-N 3.32Å; A503-I507 VanDerWaalsContact O-CG1 3.32Å; A503-I507 WeakPolarHBondContact O-CG1 3.4Å; A503-I507 PolarHBondContact O-N 2.95Å
504N96.1Very high91.6Very high25 Ų2533.5 Ų33.513%0.13417%0.173CC..Hα-helixtrans-70.4-37.4178.4-76.1-78.1000112.6Y447 F500 A501 L502 I507 K508Y447-N504 HydrophobicContact CD1-CB 3.52Å; Y447-N504 HydrophobicContact CD2-CB 4.15Å; Y447-N504 HydrophobicContact CE1-CB 3.55Å; Y447-N504 HydrophobicContact CE2-CB 4.15Å; Y447-N504 HydrophobicContact CG-CB 3.84Å; F500-N504 VanDerWaalsContact CD1-ND2 3.3Å; F500-N504 WeakPolarHBondContact CD1-ND2 3.33Å; F500-N504 WeakPolarHBondContact CE1-ND2 3.4Å; F500-N504 WeakPolarHBondContact CZ-ND2 3.2Å; F500-N504 PolarHBondContact O-N 3.22Å; F500-N504 VanDerWaalsContact O-N 3.08Å; F500-N504 PolarHBondContact O-ND2 2.93Å; A501-N504 PolarHBondContact O-N 2.64Å; L502-N504 VanDerWaalsContact C-N 3.33Å; L502-N504 PolarHBondContact O-N 3.36Å; N504-I507 WeakPolarHBondContact O-CB 3.3Å; N504-I507 PolarHBondContact O-N 3.16Å; N504-K508 PolarHBondContact O-N 3.38Å
505H94.1Very high90.9Very high2 Ų235.9 Ų35.91%0.00919%0.188CC..Hα-helixtrans-61.8-44.9173.117979.4000111.6E431 V440 Y447 A501 L502 I507 K508 V509E431-H505 IonicContact OE2-CE1 2.8Å; E431-H505 PolarHBondContact OE2-CE1 3.41Å; V440-H505 HydrophobicContact CG1-CB 3.98Å; V440-H505 HydrophobicContact CG2-CB 3.99Å; Y447-H505 HydrophobicContact CE2-CB 4.3Å; A501-H505 PolarHBondContact O-N 3.4Å; L502-H505 PolarHBondContact O-N 3.09Å; H505-I507 VanDerWaalsContact C-N 3.3Å; H505-I507 PolarHBondContact O-N 3.2Å; H505-K508 WeakPolarHBondContact O-CB 3.48Å; H505-K508 PolarHBondContact O-N 3.14Å; H505-K508 VanDerWaalsContact O-N 3.13Å; H505-V509 WeakPolarHBondContact O-CG2 3.02Å; H505-V509 PolarHBondContact O-N 3.2Å
506L93.9Very high90.3Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-65.3-32175.8-69.2175.8000112.9I483 L486 L502 A503 K510 L516 L524I483-L506 HydrophobicContact CG1-CB 4.26Å; I483-L506 HydrophobicContact CG2-CB 3.87Å; I483-L506 HydrophobicContact CG2-CD1 4.27Å; L486-L506 HydrophobicContact CB-CD1 3.75Å; L486-L506 HydrophobicContact CD1-CD1 4.23Å; L502-L506 HydrophobicContact CD1-CD1 4.25Å; L502-L506 HydrophobicContact CD1-CG 4.18Å; L502-L506 HydrophobicContact CG-CD1 4.27Å; L502-L506 WeakPolarHBondContact O-CG 3.07Å; L502-L506 PolarHBondContact O-N 2.85Å; A503-L506 PolarHBondContact O-N 3.32Å; L506-K510 WeakPolarHBondContact O-CB 3.41Å; L506-K510 PolarHBondContact O-N 3.47Å; L506-K510 VanDerWaalsContact O-N 3.1Å; L506-L516 HydrophobicContact CB-CD2 4.1Å; L506-L516 HydrophobicContact CD2-CD2 4.18Å; L506-L524 HydrophobicContact CD2-CD1 4.36Å
507I93.9Very high89.7Confident13 Ų1336.9 Ų36.97%0.06720%0.195CC..Hα-helixtrans-63.8-47.1170.6-73.3169.3000110.3M470 L475 L480 I483 A503 N504 H505 K510 L511M470-I507 HydrophobicContact CB-CD1 4.16Å; M470-I507 HydrophobicContact CE-CD1 4.4Å; M470-I507 HydrophobicContact CG-CD1 3.98Å; L475-I507 HydrophobicContact CD1-CB 4.44Å; L475-I507 HydrophobicContact CD1-CG1 4.3Å; L475-I507 HydrophobicContact CD1-CG2 4.08Å; L480-I507 HydrophobicContact CD2-CD1 4.4Å; L480-I507 HydrophobicContact CD2-CG1 4.41Å; I483-I507 HydrophobicContact CD1-CB 4.48Å; I483-I507 HydrophobicContact CD1-CG1 3.66Å; I483-I507 HydrophobicContact CG2-CG1 4.36Å; A503-I507 VanDerWaalsContact O-CG1 3.32Å; A503-I507 WeakPolarHBondContact O-CG1 3.4Å; A503-I507 PolarHBondContact O-N 2.95Å; N504-I507 WeakPolarHBondContact O-CB 3.3Å; N504-I507 PolarHBondContact O-N 3.16Å; H505-I507 VanDerWaalsContact C-N 3.3Å; H505-I507 PolarHBondContact O-N 3.2Å; I507-K510 PolarHBondContact O-N 3.19Å; I507-L511 HydrophobicContact CG2-CG 4.29Å; I507-L511 WeakPolarHBondContact O-CG 3.04Å; I507-L511 PolarHBondContact O-N 3.19Å; I507-L511 HydrophobicContact CG2-CD1 3.77Å
508K91.8Very high89Confident61 Ų6139 Ų3927%0.26522%0.22SC..Hα-helixtrans-57.3-51.8176.7176.9-173.9176.4-165.30111.1D443 N504 H505 K510 L511 E512D443-K508 IonicContact OD2-NZ 2.76Å; D443-K508 PolarHBondContact OD2-NZ 2.86Å; N504-K508 PolarHBondContact O-N 3.38Å; H505-K508 WeakPolarHBondContact O-CB 3.48Å; H505-K508 PolarHBondContact O-N 3.14Å; H505-K508 VanDerWaalsContact O-N 3.13Å; K508-K510 PolarHBondContact O-N 3.26Å; K508-L511 PolarHBondContact O-N 3.11Å; K508-E512 WeakPolarHBondContact CE-OE1 3.33Å; K508-E512 WeakPolarHBondContact CG-OE1 3.25Å; K508-E512 WeakPolarHBondContact O-CG 3.46Å; K508-E512 PolarHBondContact O-N 3.33Å
509V86.4Confident88.4Confident0 Ų045.3 Ų45.30%025%0.249CC..Hα-helixtrans-50.1-43.9174.8164.90000111.3G428 H505 H514G428-V509 WeakPolarHBondContact O-CG2 3.42Å; H505-V509 WeakPolarHBondContact O-CG2 3.02Å; H505-V509 PolarHBondContact O-N 3.2Å; V509-H514 HydrophobicContact CG1-CB 3.84Å; V509-H514 WeakPolarHBondContact O-CB 3.45Å; V509-H514 PolarHBondContact O-N 2.89Å
510K86.2Confident87.9Confident60 Ų6047 Ų4726%0.26126%0.258SS..Hα-helixtrans-74.5-34-179.2-169.852.3177.5174.40113.6L475 V479 L506 I507 K508 E512 G513 H514 L516L475-K510 HydrophobicContact CD1-CB 4.1Å; L475-K510 HydrophobicContact CD1-CG 4.11Å; L475-K510 HydrophobicContact CD2-CG 4Å; V479-K510 HydrophobicContact CG1-CD 4.46Å; V479-K510 HydrophobicContact CG1-CG 3.76Å; L506-K510 WeakPolarHBondContact O-CB 3.41Å; L506-K510 PolarHBondContact O-N 3.47Å; L506-K510 VanDerWaalsContact O-N 3.1Å; I507-K510 PolarHBondContact O-N 3.19Å; K508-K510 PolarHBondContact O-N 3.26Å; K510-E512 VanDerWaalsContact C-N 3.31Å; K510-G513 PolarHBondContact O-N 3.3Å; K510-H514 WeakPolarHBondContact CD-O 3.41Å; K510-H514 PolarHBondContact NZ-O 3.29Å; K510-L516 HydrophobicContact CB-CD2 4.32Å; K510-L516 HydrophobicContact CB-CG 4.45Å; K510-L516 HydrophobicContact CD-CG 4.35Å
511L83.6Confident87.5Confident102 Ų10248.5 Ų48.553%0.53427%0.268SS..Hα-helixtrans-69.9-29.4175.7-72.4172.2000112.3L475 I507 K508 G513L475-L511 HydrophobicContact CD2-CD2 3.87Å; L475-L511 HydrophobicContact CD2-CG 4.45Å; L475-L511 HydrophobicContact CG-CD2 4.19Å; I507-L511 HydrophobicContact CG2-CG 4.29Å; I507-L511 WeakPolarHBondContact O-CG 3.04Å; I507-L511 PolarHBondContact O-N 3.19Å; I507-L511 HydrophobicContact CG2-CD1 3.77Å; K508-L511 PolarHBondContact O-N 3.11Å; L511-G513 PolarHBondContact O-N 2.92Å
512E82.8Confident87Confident104 Ų10455 Ų5549%0.48630%0.303SS..THydrogen-bonded Turntrans-75.2-4.3174.3-71.4169.2174.700113.2K508 K510K508-E512 WeakPolarHBondContact CE-OE1 3.33Å; K508-E512 WeakPolarHBondContact CG-OE1 3.25Å; K508-E512 WeakPolarHBondContact O-CG 3.46Å; K508-E512 PolarHBondContact O-N 3.33Å; K510-E512 VanDerWaalsContact C-N 3.31Å
513G74.8Confident86.4Confident62 Ų6256.4 Ų56.464%0.63931%0.309SS*.THydrogen-bonded Turntrans99.91.1173.400000114.7K510 L511K510-G513 PolarHBondContact O-N 3.3Å; L511-G513 PolarHBondContact O-N 2.92Å
514H80.4Confident86.2Confident58 Ų5856.4 Ų56.427%0.26931%0.309SS..PPolyproline II helixtrans-80.4159.5-179.5-59.1-77.1000112.8E427 V509 K510E427-H514 IonicContact OE2-CE1 3.31Å; V509-H514 HydrophobicContact CG1-CB 3.84Å; V509-H514 WeakPolarHBondContact O-CB 3.45Å; V509-H514 PolarHBondContact O-N 2.89Å; K510-H514 WeakPolarHBondContact CD-O 3.41Å; K510-H514 PolarHBondContact NZ-O 3.29Å
515E81Confident86Confident165 Ų16556 Ų5677%0.77131%0.307SS*.PPolyproline II helixtrans-83.1146.6172.2-64.7-151.8152.700112
516L82.4Confident86Confident13 Ų1355.9 Ų55.97%0.06831%0.307CS..PPolyproline II helixtrans-82.2141.8174.8-66.9170.7000109.6V479 K482 I483 L506 K510V479-L516 HydrophobicContact CG1-CD1 3.85Å; K482-L516 HydrophobicContact CB-CD1 4.47Å; K482-L516 HydrophobicContact CD-CB 4.08Å; K482-L516 HydrophobicContact CD-CD1 4.23Å; K482-L516 HydrophobicContact CG-CD1 4.46Å; K482-L516 PolarHBondContact NZ-O 2.95Å; I483-L516 HydrophobicContact CD1-CD1 4.01Å; I483-L516 HydrophobicContact CD1-CD2 4.49Å; I483-L516 HydrophobicContact CG1-CD1 3.45Å; I483-L516 VanDerWaalsContact CG1-CD1 3.45Å; I483-L516 HydrophobicContact CG1-CD2 4.1Å; I483-L516 HydrophobicContact CG1-CG 4.43Å; L506-L516 HydrophobicContact CB-CD2 4.1Å; L506-L516 HydrophobicContact CD2-CD2 4.18Å; K510-L516 HydrophobicContact CB-CD2 4.32Å; K510-L516 HydrophobicContact CB-CG 4.45Å; K510-L516 HydrophobicContact CD-CG 4.35Å
517P83.1Confident85.9Confident26 Ų2657.8 Ų57.817%0.16932%0.319CS..PPolyproline II helixtrans-69.3158.5-177.134.4-35.8000110.2A429 K482 L486 E519 P521A429-P517 HydrophobicContact CB-CB 4.18Å; A429-P517 VanDerWaalsContact CB-CD 3.48Å; A429-P517 HydrophobicContact CB-CG 3.77Å; K482-P517 WeakPolarHBondContact CE-O 3.37Å; K482-P517 PolarHBondContact NZ-O 2.95Å; L486-P517 HydrophobicContact CD1-CG 4.13Å; P517-E519 VanDerWaalsContact CB-O 3.32Å; P517-E519 WeakPolarHBondContact CB-O 3.14Å; P517-P521 HydrophobicContact CB-CG 4.36Å; P517-P521 HydrophobicContact CG-CG 4.47Å
518A80.3Confident85.7Confident94 Ų9460.6 Ų60.678%0.77734%0.34SS*.SBendtrans-71.4-35.317700000111.8
519E84Confident85.5Confident165 Ų16560.2 Ų60.277%0.77134%0.338SS*.SBendtrans-134.4155.1177.1-62.8-175167.700108.9P517 P521P517-E519 VanDerWaalsContact CB-O 3.32Å; P517-E519 WeakPolarHBondContact CB-O 3.14Å; E519-P521 VanDerWaalsContact O-CD 3.24Å; E519-P521 WeakPolarHBondContact O-CD 3.5Å
520L87.1Confident85.5Confident34 Ų3464 Ų6418%0.17835%0.353CS..  trans-72.7119.1-177.6-172.770.6000110.1L486 V489 L502 L524 V525L486-L520 HydrophobicContact CD2-CB 4.2Å; V489-L520 HydrophobicContact CG2-CD2 3.75Å; L502-L520 HydrophobicContact CD1-CD1 4.09Å; L502-L520 HydrophobicContact CD2-CD1 3.95Å; L502-L520 HydrophobicContact CD2-CD2 3.65Å; L502-L520 HydrophobicContact CD2-CG 4.48Å; L520-L524 HydrophobicContact CD1-CB 3.82Å; L520-L524 HydrophobicContact CD1-CD1 4.36Å; L520-L524 HydrophobicContact CG-CB 4.31Å; L520-V525 HydrophobicContact CD2-CG2 3.96Å; L520-V525 HydrophobicContact CG-CG2 4.37Å
521P86.5Confident84.6Confident34 Ų3467.4 Ų67.422%0.22138%0.381CS..  trans-64.1147176.4-21.934.4000112.4P517 E519 H523 L524 V525P517-P521 HydrophobicContact CB-CG 4.36Å; P517-P521 HydrophobicContact CG-CG 4.47Å; E519-P521 VanDerWaalsContact O-CD 3.24Å; E519-P521 WeakPolarHBondContact O-CD 3.5Å; P521-H523 VanDerWaalsContact C-N 3.26Å; P521-H523 VanDerWaalsContact O-N 3.14Å; P521-H523 PolarHBondContact O-N 3.48Å; P521-H523 WeakPolarHBondContact CB-CE1 3.33Å; P521-H523 VanDerWaalsContact CB-CE1 3.42Å; P521-L524 HydrophobicContact CG-CD1 4.45Å; P521-L524 PolarHBondContact O-N 2.85Å; P521-V525 PolarHBondContact O-N 3.42Å
522N85.8Confident83.5Confident137 Ų13765.8 Ų65.873%0.73339%0.388SS*.G310 helixtrans-55.2-36-176.9-72.9-21.6000114.2L524 V525N522-L524 VanDerWaalsContact C-N 3.29Å; N522-L524 PolarHBondContact O-N 3.07Å; N522-V525 WeakPolarHBondContact O-CB 3.42Å; N522-V525 PolarHBondContact O-N 3.32Å
523H83.8Confident81.8Confident29 Ų2966.4 Ų66.413%0.13440%0.395CS..G310 helixtrans-69.8-25.8179.967.2-85.8000112.6A429 E431 W438 P521 R530A429-H523 PolarHBondContact O-NE2 3.2Å; E431-H523 PolarHBondContact O-CD2 3.14Å; E431-H523 PolarHBondContact O-NE2 3.03Å; W438-H523 VanDerWaalsContact CD1-O 3.24Å; P521-H523 VanDerWaalsContact C-N 3.26Å; P521-H523 VanDerWaalsContact O-N 3.14Å; P521-H523 PolarHBondContact O-N 3.48Å; P521-H523 WeakPolarHBondContact CB-CE1 3.33Å; P521-H523 VanDerWaalsContact CB-CE1 3.42Å; H523-R530 PolarHBondContact O-NH2 3.08Å
524L92Very high80.2Confident0 Ų068.8 Ų68.80%040%0.402CS..G310 helixtrans-86.1-12.4175-68.6-175000113.4A429 W438 V439 V440 L502 L506 L520 P521 N522A429-L524 HydrophobicContact CB-CD1 4.36Å; A429-L524 VanDerWaalsContact O-CD1 3.32Å; A429-L524 WeakPolarHBondContact O-CD1 3.42Å; W438-L524 PolarHBondContact NE1-O 3.16Å; V439-L524 HydrophobicContact CG1-CD2 3.45Å; V439-L524 VanDerWaalsContact CG1-CD2 3.45Å; V440-L524 HydrophobicContact CG2-CD2 4.25Å; L502-L524 HydrophobicContact CD1-CB 4.23Å; L506-L524 HydrophobicContact CD2-CD1 4.36Å; L520-L524 HydrophobicContact CD1-CB 3.82Å; L520-L524 HydrophobicContact CD1-CD1 4.36Å; L520-L524 HydrophobicContact CG-CB 4.31Å; P521-L524 HydrophobicContact CG-CD1 4.45Å; P521-L524 PolarHBondContact O-N 2.85Å; N522-L524 VanDerWaalsContact C-N 3.29Å; N522-L524 PolarHBondContact O-N 3.07Å
525V93Very high78.4Confident16 Ų1673.5 Ų73.510%0.09743%0.428CS..SBendtrans-61.9126.4175.9-179.80000109.3L520 P521 N522 K529 R530L520-V525 HydrophobicContact CD2-CG2 3.96Å; L520-V525 HydrophobicContact CG-CG2 4.37Å; P521-V525 PolarHBondContact O-N 3.42Å; N522-V525 WeakPolarHBondContact O-CB 3.42Å; N522-V525 PolarHBondContact O-N 3.32Å; V525-K529 HydrophobicContact CG1-CB 4.17Å; V525-R530 PolarHBondContact O-NH2 3.37Å; V525-R530 HydrophobicContact CG1-CG 3.84Å; V525-R530 PolarHBondContact O-NE 2.83Å; V525-R530 HydrophobicContact CB-CG 4.11Å
526P94.2Very high76.2Confident0 Ų074.9 Ų74.90%044%0.435CS..  trans-49135.3175.4-31.738.4000112.2W438 V489 E498 L502 S528 K529 R530W438-P526 HydrophobicContact CH2-CB 4.39Å; W438-P526 HydrophobicContact CH2-CG 4.36Å; W438-P526 HydrophobicContact CZ2-CB 4.23Å; W438-P526 HydrophobicContact CZ2-CG 3.98Å; V489-P526 HydrophobicContact CG2-CG 4.45Å; E498-P526 HydrophobicContact CB-CB 3.76Å; E498-P526 HydrophobicContact CB-CG 4.18Å; E498-P526 WeakPolarHBondContact OE2-CB 3.25Å; L502-P526 HydrophobicContact CD2-CG 4.29Å; P526-S528 PolarHBondContact O-N 3.43Å; P526-S528 VanDerWaalsContact O-N 3.13Å; P526-K529 HydrophobicContact CB-CB 4.26Å; P526-K529 HydrophobicContact CB-CG 4.04Å; P526-K529 HydrophobicContact CG-CG 4.44Å; P526-K529 PolarHBondContact O-N 3.09Å; P526-R530 PolarHBondContact O-N 2.63Å
527P90.7Very high74Confident40 Ų4086 Ų8626%0.2649%0.494SS..G310 helixtrans-52.3-36.2-177.6-29.435.8000114.4W438 K529 N533W438-P527 HydrophobicContact CB-CG 3.85Å; W438-P527 HydrophobicContact CD2-CG 4.17Å; W438-P527 HydrophobicContact CE3-CG 4.15Å; W438-P527 HydrophobicContact CG-CG 4.08Å; P527-K529 VanDerWaalsContact C-N 3.28Å; P527-K529 PolarHBondContact O-N 3.26Å; P527-N533 PolarHBondContact O-ND2 3.45Å
528S89.4Confident73.5Confident72 Ų7289.1 Ų89.150%0.50351%0.511SS..G310 helixtrans-69.6-23.6177.570.40000113.6E498 P526E498-S528 WeakPolarHBondContact OE2-CB 3.18Å; E498-S528 PolarHBondContact OE2-N 2.93Å; E498-S528 PolarHBondContact OE2-OG 3.3Å; P526-S528 PolarHBondContact O-N 3.43Å; P526-S528 VanDerWaalsContact O-N 3.13Å
529K88.4Confident73.2Confident53 Ų5388.8 Ų88.823%0.2350%0.497CS..G310 helixtrans-101.32.8-175.6-54.3-65.3172.896.10113.4V489 D490 D496 E499 V525 P526 P527V489-K529 HydrophobicContact CG1-CB 3.96Å; V489-K529 HydrophobicContact CG1-CG 4.42Å; D490-K529 IonicContact OD2-NZ 2.72Å; D490-K529 PolarHBondContact OD2-NZ 3.47Å; D496-K529 WeakPolarHBondContact OD2-CE 3.5Å; D496-K529 IonicContact OD2-NZ 2.72Å; D496-K529 PolarHBondContact OD2-NZ 3.47Å; E499-K529 VanDerWaalsContact CD-NZ 3.26Å; E499-K529 IonicContact OE1-NZ 3.37Å; E499-K529 PolarHBondContact OE1-NZ 3.37Å; E499-K529 IonicContact OE2-NZ 3.13Å; V525-K529 HydrophobicContact CG1-CB 4.17Å; P526-K529 HydrophobicContact CB-CB 4.26Å; P526-K529 HydrophobicContact CB-CG 4.04Å; P526-K529 HydrophobicContact CG-CG 4.44Å; P526-K529 PolarHBondContact O-N 3.09Å; P527-K529 VanDerWaalsContact C-N 3.28Å; P527-K529 PolarHBondContact O-N 3.26Å
530R86.8Confident72.6Confident80 Ų8084.6 Ų84.630%0.30248%0.482SS..SBendtrans-73.8135.8179.4-69.7177-173.6-179.1-3.3111.5H523 V525 P526 G532 N533H523-R530 PolarHBondContact O-NH2 3.08Å; V525-R530 PolarHBondContact O-NH2 3.37Å; V525-R530 HydrophobicContact CG1-CG 3.84Å; V525-R530 PolarHBondContact O-NE 2.83Å; V525-R530 HydrophobicContact CB-CG 4.11Å; P526-R530 PolarHBondContact O-N 2.63Å; R530-G532 PolarHBondContact O-N 3.35Å; R530-N533 PolarHBondContact O-N 2.66Å
531P66.2Low71.7Confident132 Ų13287.5 Ų87.586%0.85750%0.499SS*.THydrogen-bonded Turntrans-66107.4176.725.2-31.6000110.2
532G60.6Low70.8Confident67 Ų6790.9 Ų90.969%0.69152%0.517SS*.THydrogen-bonded Turntrans139.3-14.6-178.900000115.6R530R530-G532 PolarHBondContact O-N 3.35Å
533N47.3Very low69.8Low118 Ų11887.8 Ų87.863%0.63150%0.502SS*.  trans-97.23.4178.1-96.8-4.9000114.5P527 R530 L535P527-N533 PolarHBondContact O-ND2 3.45Å; R530-N533 PolarHBondContact O-N 2.66Å; N533-L535 PolarHBondContact O-N 3.18Å
534S41.5Very low68.8Low111 Ų11192 Ų9278%0.77653%0.529SS*.  trans-82.241.4-179.444.30000113.9
535L42.1Very low67Low157 Ų15799.1 Ų99.182%0.82257%0.569SS**  trans-146.378.3169.4-77174.6000109.9N533N533-L535 PolarHBondContact O-N 3.18Å
536Q35.3Very low64.8Low195 Ų195106 Ų10691%0.91161%0.609SS**  trans-170.776.4150.2-105.4166.249.100108.2
537D35.5Very low62.1Low247 Ų247115.6 Ų115.6100%1.32166%0.664SS**  trans-96.20149-82.3-30000108.2

Retrieved 537 of 537 residues in 3805.3 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).