G4VQG2_SCHMA Loading...

Putative spry domain containing socs box protein

AlphaFold DB , UniProt , Accession G4VQG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 419 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
1M34Very low75.4Confident159 Ų15977.3 Ų77.378%0.78340%0.398SS*.  0105.40-99.8-178.9165.100109.3T3 N260M1-T3 HydrophobicContact CB-CG2 4.08Å; M1-T3 HydrophobicContact CE-CG2 4.2Å; M1-T3 HydrophobicContact CG-CG2 3.96Å; M1-T3 PolarHBondContact O-N 2.89Å; M1-T3 HydrophobicContact SD-CG2 3.71Å; M1-N260 PolarHBondContact N-OD1 2.97Å
2L50.2Low76.2Confident94 Ų9474.7 Ų74.749%0.49239%0.389SS..  trans-83.163.1156.8-77.1159.6000106.9V4 L257L2-V4 PolarHBondContact O-N 3.49Å; L2-L257 HydrophobicContact CD1-CD2 3.55Å; L2-L257 HydrophobicContact CD1-CG 4.02Å
3T63.1Low77.2Confident85 Ų8580.5 Ų80.552%0.52142%0.421SS..  trans-64.9122.3171.134.30000107.4M1 Q5M1-T3 HydrophobicContact CB-CG2 4.08Å; M1-T3 HydrophobicContact CE-CG2 4.2Å; M1-T3 HydrophobicContact CG-CG2 3.96Å; M1-T3 PolarHBondContact O-N 2.89Å; M1-T3 HydrophobicContact SD-CG2 3.71Å; T3-Q5 PolarHBondContact O-N 3.41Å
4V73Confident77.9Confident30 Ų3075.9 Ų75.918%0.18240%0.399CS..  trans-54.4114.5174173.40000108.4L2 K6 N29 I154 D171L2-V4 PolarHBondContact O-N 3.49Å; V4-K6 HydrophobicContact CG1-CG 4.19Å; V4-K6 PolarHBondContact O-N 3.37Å; V4-N29 WeakPolarHBondContact CG1-ND2 3.47Å; V4-I154 HydrophobicContact CG1-CD1 3.82Å; V4-I154 HydrophobicContact CG1-CG1 4.36Å; V4-I154 HydrophobicContact CG2-CB 4.43Å; V4-I154 HydrophobicContact CG2-CD1 4.06Å; V4-D171 HydrophobicContact CG2-CB 4.11Å
5Q82.6Confident78.4Confident144 Ų14479.7 Ų79.767%0.67343%0.43SS*.  trans-77108.8175.5-69.5-177.4-1100107.9T3 C28 N29T3-Q5 PolarHBondContact O-N 3.41Å; Q5-C28 WeakPolarHBondContact O-CB 3.18Å; Q5-C28 PolarHBondContact O-SG 3.41Å; Q5-C28 VanDerWaalsContact O-SG 3.42Å; Q5-N29 PolarHBondContact N-OD1 2.92Å; Q5-N29 PolarHBondContact O-ND2 3.17Å
6K86.7Confident78.8Confident79 Ų7981.9 Ų81.934%0.34344%0.435SS..  trans-87.4126.2174.2-61.2-174.1-179.71790108.5V4 D11 D171V4-K6 HydrophobicContact CG1-CG 4.19Å; V4-K6 PolarHBondContact O-N 3.37Å; K6-D11 HydrophobicContact CB-CB 3.82Å; K6-D171 IonicContact NZ-OD2 3.08Å; K6-D171 PolarHBondContact NZ-OD2 3Å
7C89.9Confident79.1Confident44 Ų4478.8 Ų78.830%0.29742%0.416SS..  trans-90169.516976.50000109.7Y9 C10 D11 C26 C28C7-Y9 PolarHBondContact O-N 3.24Å; C7-C10 PolarHBondContact N-SG 3.21Å; C7-C10 PolarHBondContact O-N 3.2Å; C7-C10 PolarHBondContact O-SG 3.17Å; C7-D11 WeakPolarHBondContact O-CB 3.5Å; C7-D11 PolarHBondContact O-N 2.98Å; C7-C26 WeakPolarHBondContact SG-CB 3.44Å; C7-C28 HydrophobicContact CB-CB 4.41Å
8A86.4Confident79.1Confident38 Ų3881.7 Ų81.731%0.31443%0.427SS..THydrogen-bonded Turntrans-53-19.6-17800000115.5S14 K16 F17A8-S14 VanDerWaalsContact C-OG 3.32Å; A8-S14 VanDerWaalsContact CA-OG 3.23Å; A8-S14 WeakPolarHBondContact CA-OG 3.21Å; A8-S14 WeakPolarHBondContact CB-OG 3.47Å; A8-S14 WeakPolarHBondContact O-CB 3.33Å; A8-S14 PolarHBondContact O-OG 3.39Å; A8-K16 HydrophobicContact CB-CB 4.11Å; A8-K16 HydrophobicContact CB-CD 3.94Å; A8-K16 HydrophobicContact CB-CG 4.4Å; A8-K16 CarbonylContact O-C 3.6Å; A8-K16 WeakPolarHBondContact O-CB 3.32Å; A8-F17 PolarHBondContact O-N 3.21Å
9Y86.6Confident78.6Confident128 Ų12882.9 Ų82.950%0.50244%0.435SS..THydrogen-bonded Turntrans-91.6-16.2179.5-64.4-80.1000114.6C7 K16 F17 L24C7-Y9 PolarHBondContact O-N 3.24Å; Y9-K16 HydrophobicContact CD1-CB 4.44Å; Y9-K16 HydrophobicContact CE1-CB 4.47Å; Y9-K16 HydrophobicContact CE1-CD 4.49Å; Y9-F17 WeakPolarHBondContact O-CD2 3.42Å; Y9-L24 WeakPolarHBondContact O-CD2 2.98Å
10C88.5Confident78.2Confident2 Ų287.3 Ų87.31%0.01446%0.457CS..THydrogen-bonded Turntrans-125.75.2-179.763.20000113.3C7 P12 L24 C26 C28C7-C10 PolarHBondContact N-SG 3.21Å; C7-C10 PolarHBondContact O-N 3.2Å; C7-C10 PolarHBondContact O-SG 3.17Å; C10-P12 WeakPolarHBondContact O-CD 3.5Å; C10-L24 HydrophobicContact CB-CD1 3.93Å; C10-L24 HydrophobicContact CB-CD2 4.43Å; C10-C26 VanDerWaalsContact CB-SG 3.5Å; C10-C28 PolarHBondContact SG-SG 3.34Å
11D88.4Confident78.1Confident47 Ų4784.5 Ų84.525%0.25145%0.445SS..  trans-92112.8172-174.44.4000109.2K6 C7 D13 S14 F17K6-D11 HydrophobicContact CB-CB 3.82Å; C7-D11 WeakPolarHBondContact O-CB 3.5Å; C7-D11 PolarHBondContact O-N 2.98Å; D11-D13 PolarHBondContact O-N 2.82Å; D11-D13 VanDerWaalsContact O-N 3.1Å; D11-D13 PolarHBondContact OD1-N 2.98Å; D11-S14 VanDerWaalsContact O-CB 3.31Å; D11-S14 WeakPolarHBondContact O-CB 3.24Å; D11-S14 PolarHBondContact O-N 3.42Å; D11-F17 WeakPolarHBondContact O-CB 3.43Å
12P85.5Confident80.3Confident46 Ų4684 Ų8430%0.29943%0.434SS..THydrogen-bonded Turntrans-56.2-25.7179.7-25.435.7000114.5C10 S14 F17C10-P12 WeakPolarHBondContact O-CD 3.5Å; P12-S14 VanDerWaalsContact C-N 3.28Å; P12-F17 HydrophobicContact CB-CD1 4.38Å; P12-F17 HydrophobicContact CB-CE1 4.26Å; P12-F17 HydrophobicContact CG-CZ 4.45Å
13D88.4Confident82Confident150 Ų15080.4 Ų80.480%0.80242%0.415SS*.THydrogen-bonded Turntrans-83.9-6.8-178.9-59.7-32.4000112.6D11D11-D13 PolarHBondContact O-N 2.82Å; D11-D13 VanDerWaalsContact O-N 3.1Å; D11-D13 PolarHBondContact OD1-N 2.98Å
14S87.3Confident83.4Confident16 Ų1676.5 Ų76.511%0.11239%0.392CS..SBendtrans-84.9138.6-179.51650000111.9A8 D11 P12 K16 F17A8-S14 VanDerWaalsContact C-OG 3.32Å; A8-S14 VanDerWaalsContact CA-OG 3.23Å; A8-S14 WeakPolarHBondContact CA-OG 3.21Å; A8-S14 WeakPolarHBondContact CB-OG 3.47Å; A8-S14 WeakPolarHBondContact O-CB 3.33Å; A8-S14 PolarHBondContact O-OG 3.39Å; D11-S14 VanDerWaalsContact O-CB 3.31Å; D11-S14 WeakPolarHBondContact O-CB 3.24Å; D11-S14 PolarHBondContact O-N 3.42Å; P12-S14 VanDerWaalsContact C-N 3.28Å; S14-K16 PolarHBondContact O-N 3.11Å; S14-K16 PolarHBondContact OG-N 3.02Å; S14-K16 VanDerWaalsContact OG-N 3.14Å; S14-F17 VanDerWaalsContact O-CB 3.28Å; S14-F17 WeakPolarHBondContact O-CB 3.5Å; S14-F17 PolarHBondContact O-N 3.32Å
15P85.1Confident84.1Confident133 Ų13381.6 Ų81.686%0.86442%0.417SS*.THydrogen-bonded Turntrans-66-13.5175.529.2-36.5000113.5
16K84.5Confident84.4Confident116 Ų11675.2 Ų75.250%0.50439%0.388SS..THydrogen-bonded Turntrans-88.5-7.2174-64.4-174.5-179.9-179.20112.8A8 Y9 S14 Q18A8-K16 HydrophobicContact CB-CB 4.11Å; A8-K16 HydrophobicContact CB-CD 3.94Å; A8-K16 HydrophobicContact CB-CG 4.4Å; A8-K16 CarbonylContact O-C 3.6Å; A8-K16 WeakPolarHBondContact O-CB 3.32Å; Y9-K16 HydrophobicContact CD1-CB 4.44Å; Y9-K16 HydrophobicContact CE1-CB 4.47Å; Y9-K16 HydrophobicContact CE1-CD 4.49Å; S14-K16 PolarHBondContact O-N 3.11Å; S14-K16 PolarHBondContact OG-N 3.02Å; S14-K16 VanDerWaalsContact OG-N 3.14Å; K16-Q18 PolarHBondContact O-N 3.34Å
17F84Confident84.6Confident28 Ų2877.1 Ų77.112%0.12339%0.393CS..  trans-74.8115.9171.6-172.5-103.7000108.6A8 Y9 D11 P12 S14 D19 L24 K151A8-F17 PolarHBondContact O-N 3.21Å; Y9-F17 WeakPolarHBondContact O-CD2 3.42Å; D11-F17 WeakPolarHBondContact O-CB 3.43Å; P12-F17 HydrophobicContact CB-CD1 4.38Å; P12-F17 HydrophobicContact CB-CE1 4.26Å; P12-F17 HydrophobicContact CG-CZ 4.45Å; S14-F17 VanDerWaalsContact O-CB 3.28Å; S14-F17 WeakPolarHBondContact O-CB 3.5Å; S14-F17 PolarHBondContact O-N 3.32Å; F17-D19 WeakPolarHBondContact CD1-OD1 3.39Å; F17-D19 WeakPolarHBondContact CE1-OD1 3.5Å; F17-L24 HydrophobicContact CE2-CD2 4.32Å; F17-K151 HydrophobicContact CE2-CD 4.21Å; F17-K151 HydrophobicContact CE2-CG 4.44Å; F17-K151 HydrophobicContact CZ-CD 3.91Å; F17-K151 HydrophobicContact CZ-CG 4.31Å
18Q79.8Confident84.6Confident131 Ų13176.2 Ų76.261%0.61239%0.387SS*.  trans-103.9103.2174.9-67.6176.24.200107K16 L20 S21 K151K16-Q18 PolarHBondContact O-N 3.34Å; Q18-L20 PolarHBondContact O-N 3.26Å; Q18-S21 WeakPolarHBondContact O-CB 3.46Å; Q18-S21 PolarHBondContact O-N 3.35Å; Q18-S21 PolarHBondContact O-OG 3.12Å; Q18-K151 PolarHBondContact O-NZ 2.91Å
19D69.9Low84.6Confident106 Ų10677 Ų7757%0.56739%0.386SS*.THydrogen-bonded Turntrans-48.8-46.3178.1-70.617.1000110.7F17 S21 P92 K151F17-D19 WeakPolarHBondContact CD1-OD1 3.39Å; F17-D19 WeakPolarHBondContact CE1-OD1 3.5Å; D19-S21 VanDerWaalsContact C-N 3.33Å; D19-S21 PolarHBondContact O-N 3.45Å; D19-P92 VanDerWaalsContact O-CG 3.27Å; D19-P92 WeakPolarHBondContact O-CG 3.35Å; D19-K151 PolarHBondContact O-NZ 3.38Å
20L69.3Low84.7Confident170 Ų17072.5 Ų72.589%0.8937%0.369SS*.THydrogen-bonded Turntrans-82.3-0.4-176.4-60.5171.4000114.7Q18 W22Q18-L20 PolarHBondContact O-N 3.26Å; L20-W22 PolarHBondContact O-N 3.09Å
21S76.7Confident84.2Confident28 Ų2874.4 Ų74.420%0.19638%0.382CS..  trans-65.8127.6169.759.80000109.6Q18 D19 I23 K151Q18-S21 WeakPolarHBondContact O-CB 3.46Å; Q18-S21 PolarHBondContact O-N 3.35Å; Q18-S21 PolarHBondContact O-OG 3.12Å; D19-S21 VanDerWaalsContact C-N 3.33Å; D19-S21 PolarHBondContact O-N 3.45Å; S21-I23 VanDerWaalsContact C-N 3.3Å; S21-I23 PolarHBondContact O-N 3.33Å; S21-K151 PolarHBondContact O-NZ 3.02Å; S21-K151 PolarHBondContact OG-NZ 3.45Å
22W80Confident83.5Confident149 Ų14978.3 Ų78.356%0.56441%0.408SS*.SBendtrans-66.3-31.2-173.768.3-88.6000113L20 S91L20-W22 PolarHBondContact O-N 3.09Å; W22-S91 VanDerWaalsContact O-CB 3.31Å; W22-S91 WeakPolarHBondContact O-CB 3.5Å
23I87Confident83Confident18 Ų1883.3 Ų83.39%0.09243%0.432CS..SBendtrans-138140.7176.8-161.1165.3000113.2S21 L25 T58 V90S21-I23 VanDerWaalsContact C-N 3.3Å; S21-I23 PolarHBondContact O-N 3.33Å; I23-L25 HydrophobicContact CG2-CD2 3.92Å; I23-L25 PolarHBondContact O-N 2.95Å; I23-T58 HydrophobicContact CD1-CG2 4.44Å; I23-V90 CarbonylContact C-O 3.57Å; I23-V90 WeakPolarHBondContact CA-O 3.46Å; I23-V90 HydrophobicContact CD1-CG2 4.14Å; I23-V90 HydrophobicContact CG1-CB 3.89Å; I23-V90 HydrophobicContact CG1-CG2 3.87Å
24L91Very high82.6Confident4 Ų480.5 Ų80.52%0.02141%0.414CS..  trans-75.5114168.4-71.6-176.4000110.4Y9 C10 F17 C26 V90 K151 G152 R201Y9-L24 WeakPolarHBondContact O-CD2 2.98Å; C10-L24 HydrophobicContact CB-CD1 3.93Å; C10-L24 HydrophobicContact CB-CD2 4.43Å; F17-L24 HydrophobicContact CE2-CD2 4.32Å; L24-C26 VanDerWaalsContact C-N 3.31Å; L24-V90 HydrophobicContact CB-CB 4.22Å; L24-V90 HydrophobicContact CB-CG1 4.46Å; L24-V90 WeakPolarHBondContact CB-O 3.31Å; L24-V90 WeakPolarHBondContact CG-O 3.25Å; L24-V90 PolarHBondContact N-O 2.76Å; L24-K151 HydrophobicContact CD1-CG 3.85Å; L24-K151 HydrophobicContact CD2-CD 4.47Å; L24-K151 HydrophobicContact CD2-CG 4.41Å; L24-K151 HydrophobicContact CG-CD 4.42Å; L24-K151 HydrophobicContact CG-CG 3.97Å; L24-G152 VanDerWaalsContact CD1-CA 3.42Å; L24-R201 PolarHBondContact O-NH2 2.78Å; L24-R201 VanDerWaalsContact O-NH2 3.08Å
25L87.4Confident82.6Confident136 Ų13684 Ų8471%0.71244%0.436SS*.  trans-80.1-13.5176.6-60.6177.3000113.3I23I23-L25 HydrophobicContact CG2-CD2 3.92Å; I23-L25 PolarHBondContact O-N 2.95Å
26C91Very high83Confident10 Ų1078.8 Ų78.87%0.06840%0.401CS..  trans-69.7149.5-175.373.80000113.6C7 C10 L24 K88 R201C7-C26 WeakPolarHBondContact SG-CB 3.44Å; C10-C26 VanDerWaalsContact CB-SG 3.5Å; L24-C26 VanDerWaalsContact C-N 3.31Å; C26-K88 PolarHBondContact O-NZ 2.95Å; C26-K88 PolarHBondContact SG-NZ 3.16Å; C26-R201 PolarHBondContact O-NH1 3.09Å; C26-R201 VanDerWaalsContact O-NH1 3.11Å
27R90.2Very high83.5Confident120 Ų12077.6 Ų77.645%0.45340%0.398SS..  trans-115.315.3-178.8-56.9-62.9178.7167.5-1113.8E30 E54 R201R27-E30 WeakPolarHBondContact CD-OE2 3.15Å; R27-E30 IonicContact CZ-OE2 2.76Å; R27-E30 IonicContact NE-OE2 2.96Å; R27-E30 IonicContact NH1-OE1 3.8Å; R27-E30 IonicContact NH1-OE2 3.28Å; R27-E30 PolarHBondContact NH1-OE2 2.99Å; R27-E30 WeakPolarHBondContact O-CB 3.45Å; R27-E30 PolarHBondContact O-N 3.02Å; R27-E54 IonicContact CZ-OE2 2.71Å; R27-E54 IonicContact NH1-OE1 3.99Å; R27-E54 IonicContact NH1-OE2 3.46Å; R27-E54 PolarHBondContact NH1-OE2 3.09Å; R27-E54 IonicContact NH2-OE1 3.96Å; R27-E54 PolarHBondContact NH2-OE1 2.86Å; R27-E54 IonicContact NH2-OE2 2.68Å; R27-E54 PolarHBondContact NH2-OE2 3.16Å; R27-R201 VanDerWaalsContact NH1-CD 3.26Å; R27-R201 VanDerWaalsContact NH1-CZ 3.34Å
28C89.2Confident84.2Confident25 Ų2576.6 Ų76.617%0.16939%0.393CS..THydrogen-bonded Turntrans-59.9143.1175.4610000110.7Q5 C7 C10 E30 K88Q5-C28 WeakPolarHBondContact O-CB 3.18Å; Q5-C28 PolarHBondContact O-SG 3.41Å; Q5-C28 VanDerWaalsContact O-SG 3.42Å; C7-C28 HydrophobicContact CB-CB 4.41Å; C10-C28 PolarHBondContact SG-SG 3.34Å; C28-E30 PolarHBondContact O-N 3.43Å; C28-K88 PolarHBondContact O-NZ 3.2Å; C28-K88 PolarHBondContact SG-NZ 3.25Å
29N87.6Confident85Confident53 Ų5373.6 Ų73.628%0.28338%0.376SS..THydrogen-bonded Turntrans63.96.3-176.1-44.1-78000115.1V4 Q5 I154V4-N29 WeakPolarHBondContact CG1-ND2 3.47Å; Q5-N29 PolarHBondContact N-OD1 2.92Å; Q5-N29 PolarHBondContact O-ND2 3.17Å; N29-I154 HydrophobicContact CB-CD1 3.55Å
30E87.9Confident86.3Confident35 Ų3568.6 Ų68.616%0.16435%0.349CS..  trans-90.9122.3173.6-55.5-176.3-158.100108.9R27 C28 V32 K88 R201 I203R27-E30 WeakPolarHBondContact CD-OE2 3.15Å; R27-E30 IonicContact CZ-OE2 2.76Å; R27-E30 IonicContact NE-OE2 2.96Å; R27-E30 IonicContact NH1-OE1 3.8Å; R27-E30 IonicContact NH1-OE2 3.28Å; R27-E30 PolarHBondContact NH1-OE2 2.99Å; R27-E30 WeakPolarHBondContact O-CB 3.45Å; R27-E30 PolarHBondContact O-N 3.02Å; C28-E30 PolarHBondContact O-N 3.43Å; E30-V32 PolarHBondContact O-N 2.97Å; E30-K88 IonicContact OE1-NZ 2.8Å; E30-R201 VanDerWaalsContact OE1-CD 3.32Å; E30-R201 WeakPolarHBondContact OE1-CD 3.38Å; E30-R201 IonicContact OE1-CZ 3.8Å; E30-R201 IonicContact OE1-NE 3.38Å; E30-R201 IonicContact OE1-NH1 3.71Å; E30-R201 PolarHBondContact OE1-NH1 2.92Å; E30-R201 WeakPolarHBondContact OE2-CD 3.5Å; E30-R201 IonicContact OE2-NH1 3.89Å; E30-I203 HydrophobicContact CG-CB 4.05Å; E30-I203 HydrophobicContact CG-CG2 3.61Å
31S77.7Confident87.6Confident41 Ų4161.7 Ų61.729%0.28732%0.315SS..  trans-79.1110.5171.745.70000109.4D33 E34S31-D33 VanDerWaalsContact C-N 3.31Å; S31-D33 PolarHBondContact O-N 3.31Å; S31-E34 WeakPolarHBondContact OG-CB 3.14Å
32V74.2Confident88.4Confident130 Ų13066.1 Ų66.179%0.78833%0.33SS*.THydrogen-bonded Turntrans-65.1-36-176.3-178.10000111.9E30E30-V32 PolarHBondContact O-N 2.97Å
33D74.4Confident88.8Confident151 Ų15160.8 Ų60.881%0.80732%0.315SS*.THydrogen-bonded Turntrans-97-2.7-170.3-56-46.2000114.3S31 P35S31-D33 VanDerWaalsContact C-N 3.31Å; S31-D33 PolarHBondContact O-N 3.31Å; D33-P35 WeakPolarHBondContact O-CD 3.4Å
34E79.9Confident88.5Confident91 Ų9166.9 Ų66.943%0.42534%0.343SS..PPolyproline II helixtrans-89.4120.2-178.3-77.9-67.1157.900111.6S31 L36 K206S31-E34 WeakPolarHBondContact OG-CB 3.14Å; E34-L36 PolarHBondContact O-N 3.39Å; E34-K206 WeakPolarHBondContact OE2-CE 3.5Å; E34-K206 IonicContact OE2-NZ 3.63Å; E34-K206 PolarHBondContact OE2-NZ 2.87Å
35P88.2Confident87.8Confident88 Ų8868.7 Ų68.757%0.57136%0.356SS*.PPolyproline II helixtrans-69.2135.7176.926.7-32.5000110.6D33 K206D33-P35 WeakPolarHBondContact O-CD 3.4Å; P35-K206 WeakPolarHBondContact O-CE 3.37Å; P35-K206 PolarHBondContact O-NZ 2.82Å
36L93.7Very high86.8Confident24 Ų2468.1 Ų68.113%0.12636%0.361CS..PPolyproline II helixtrans-81.4127.5170.2-59.2174.8000109.1E34 W38 K57 L202 A205E34-L36 PolarHBondContact O-N 3.39Å; L36-W38 VanDerWaalsContact C-N 3.26Å; L36-W38 PolarHBondContact O-N 2.87Å; L36-K57 HydrophobicContact CD1-CB 4.48Å; L36-K57 HydrophobicContact CD1-CD 3.61Å; L36-K57 HydrophobicContact CD1-CG 3.63Å; L36-L202 HydrophobicContact CD1-CD2 4.13Å; L36-L202 HydrophobicContact CD1-CG 4.18Å; L36-L202 HydrophobicContact CD2-CG 4.35Å; L36-A205 HydrophobicContact CB-CB 4.3Å; L36-A205 HydrophobicContact CD2-CB 4.12Å
37E95Very high85.7Confident92 Ų9272.7 Ų72.743%0.4338%0.384SS..SBendtrans-70.6-22.5178.5-71.8176.6-166.800113.6A205 K206 S207E37-A205 PolarHBondContact N-O 2.9Å; E37-A205 VanDerWaalsContact N-O 3.08Å; E37-K206 HydrophobicContact CG-CD 4.46Å; E37-K206 WeakPolarHBondContact OE1-CA 3.19Å; E37-S207 PolarHBondContact OE1-N 3.4Å; E37-S207 WeakPolarHBondContact OE2-CB 3.39Å; E37-S207 PolarHBondContact OE2-N 3.35Å; E37-S207 PolarHBondContact OE2-OG 2.71Å
38W97.7Very high84.9Confident6 Ų673.2 Ų73.22%0.02339%0.391CS..  trans-147.1165.6178.159.6-99.4000111.7L36 W40 T75 A76 W85 P189 L202 A205L36-W38 VanDerWaalsContact C-N 3.26Å; L36-W38 PolarHBondContact O-N 2.87Å; W38-W40 AromaticContact CH2-CH2 3.91Å; W38-W40 HydrophobicContact CH2-CH2 3.91Å; W38-W40 HydrophobicContact CH2-CZ2 4.35Å; W38-W40 HydrophobicContact CH2-CZ3 4.18Å; W38-W40 HydrophobicContact CZ3-CD2 4.32Å; W38-W40 HydrophobicContact CZ3-CE3 4.05Å; W38-W40 AromaticContact CZ3-CH2 3.9Å; W38-W40 HydrophobicContact CZ3-CH2 3.9Å; W38-W40 HydrophobicContact CZ3-CZ2 4.21Å; W38-W40 AromaticContact CZ3-CZ3 3.83Å; W38-W40 HydrophobicContact CZ3-CZ3 3.83Å; W38-T75 WeakPolarHBondContact CB-OG1 3.43Å; W38-A76 HydrophobicContact CB-CB 3.51Å; W38-A76 HydrophobicContact CG-CB 3.93Å; W38-W85 HydrophobicContact CH2-CB 4.47Å; W38-W85 HydrophobicContact CH2-CG 4.22Å; W38-W85 HydrophobicContact CZ2-CB 3.65Å; W38-W85 AromaticContact CZ2-CD1 3.92Å; W38-W85 HydrophobicContact CZ2-CD2 4.05Å; W38-W85 AromaticContact CZ2-CG 3.6Å; W38-W85 HydrophobicContact CZ2-CG 3.6Å; W38-P189 HydrophobicContact CD2-CG 4.09Å; W38-P189 HydrophobicContact CE3-CG 4.17Å; W38-P189 HydrophobicContact CH2-CB 3.76Å; W38-P189 HydrophobicContact CH2-CG 3.53Å; W38-P189 HydrophobicContact CZ2-CB 3.71Å; W38-P189 HydrophobicContact CZ2-CG 3.4Å; W38-P189 HydrophobicContact CZ3-CG 3.91Å; W38-L202 HydrophobicContact CD2-CD2 4.19Å; W38-L202 HydrophobicContact CE3-CD2 3.65Å; W38-L202 HydrophobicContact CH2-CD1 3.61Å; W38-L202 HydrophobicContact CH2-CD2 3.95Å; W38-L202 HydrophobicContact CH2-CG 4.43Å; W38-L202 HydrophobicContact CZ2-CD1 3.97Å; W38-L202 HydrophobicContact CZ2-CD2 4.46Å; W38-L202 HydrophobicContact CZ3-CD1 4.05Å; W38-L202 HydrophobicContact CZ3-CD2 3.52Å; W38-L202 HydrophobicContact CZ3-CG 4.41Å; W38-L202 VanDerWaalsContact O-CD2 3.23Å; W38-L202 WeakPolarHBondContact O-CD2 3.27Å; W38-A205 HydrophobicContact CD2-CB 4.11Å; W38-A205 HydrophobicContact CG-CB 4.16Å; W38-A205 HydrophobicContact CZ2-CB 4.25Å
39R97.3Very high84.9Confident68 Ų6873.1 Ų73.126%0.25739%0.391SS..  trans-134.8177.4-179.6-66.5175.6-173.5-85.8-0.5109.7N55 D56 K57 G74 T75R39-N55 WeakPolarHBondContact CD-O 2.99Å; R39-N55 VanDerWaalsContact CZ-ND2 3.32Å; R39-N55 PolarHBondContact NH1-ND2 3.16Å; R39-N55 PolarHBondContact NH1-O 2.93Å; R39-N55 PolarHBondContact NH2-ND2 3.24Å; R39-D56 HydrophobicContact CB-CB 4.1Å; R39-K57 VanDerWaalsContact NH1-CE 3.29Å; R39-G74 CarbonylContact O-C 3.58Å; R39-G74 WeakPolarHBondContact O-CA 3.46Å; R39-T75 PolarHBondContact N-OG1 3.49Å; R39-T75 VanDerWaalsContact N-OG1 3.07Å; R39-T75 VanDerWaalsContact O-CG2 3.31Å; R39-T75 WeakPolarHBondContact O-CG2 3.46Å; R39-T75 PolarHBondContact O-N 2.93Å; R39-T75 PolarHBondContact O-OG1 2.97Å
40W97.7Very high85.3Confident2 Ų271 Ų711%0.00838%0.379CS..BIsolated β-bridgetrans-75.1137.3174.9-60.4115.1000111.4W38 L52 D56 K57 V59 A72 L87 V191W38-W40 AromaticContact CH2-CH2 3.91Å; W38-W40 HydrophobicContact CH2-CH2 3.91Å; W38-W40 HydrophobicContact CH2-CZ2 4.35Å; W38-W40 HydrophobicContact CH2-CZ3 4.18Å; W38-W40 HydrophobicContact CZ3-CD2 4.32Å; W38-W40 HydrophobicContact CZ3-CE3 4.05Å; W38-W40 AromaticContact CZ3-CH2 3.9Å; W38-W40 HydrophobicContact CZ3-CH2 3.9Å; W38-W40 HydrophobicContact CZ3-CZ2 4.21Å; W38-W40 AromaticContact CZ3-CZ3 3.83Å; W38-W40 HydrophobicContact CZ3-CZ3 3.83Å; W40-L52 HydrophobicContact CB-CD1 3.93Å; W40-L52 HydrophobicContact CB-CD2 3.68Å; W40-L52 HydrophobicContact CB-CG 4.5Å; W40-L52 HydrophobicContact CG-CD2 4.28Å; W40-L52 WeakPolarHBondContact O-CD1 3.44Å; W40-D56 PolarHBondContact N-O 2.78Å; W40-K57 PolarHBondContact NE1-O 3.23Å; W40-K57 VanDerWaalsContact NE1-O 3.11Å; W40-V59 HydrophobicContact CG-CB 4.39Å; W40-A72 HydrophobicContact CE3-CB 4.27Å; W40-L87 HydrophobicContact CH2-CD1 4.3Å; W40-L87 HydrophobicContact CH2-CD2 4.21Å; W40-L87 HydrophobicContact CZ2-CD1 4.25Å; W40-L87 HydrophobicContact CZ2-CD2 3.63Å; W40-V191 HydrophobicContact CE3-CG2 4.33Å; W40-V191 HydrophobicContact CH2-CB 4.41Å; W40-V191 HydrophobicContact CH2-CG1 3.99Å; W40-V191 HydrophobicContact CH2-CG2 3.56Å; W40-V191 HydrophobicContact CZ2-CG1 4.44Å; W40-V191 HydrophobicContact CZ2-CG2 3.93Å; W40-V191 HydrophobicContact CZ3-CG2 3.78Å
41C95.9Very high85.6Confident24 Ų2474.6 Ų74.616%0.16240%0.396CS..PPolyproline II helixtrans-62.7144.3167.9-73.80000110F50 R73C41-F50 WeakPolarHBondContact O-CE2 3.46Å; C41-F50 WeakPolarHBondContact O-CZ 3.47Å; C41-R73 WeakPolarHBondContact CB-O 3.45Å; C41-R73 PolarHBondContact N-O 3.33Å
42K93.8Very high86.4Confident122 Ų12273.7 Ų73.753%0.5339%0.388SS..PPolyproline II helixtrans-62.8147.6170.4-61.2-69.8172.3-179.30109.4E44 L52 D56K42-E44 PolarHBondContact O-N 3Å; K42-L52 HydrophobicContact CD-CD1 3.97Å; K42-D56 WeakPolarHBondContact CE-OD2 3.43Å; K42-D56 IonicContact NZ-OD1 2.59Å; K42-D56 PolarHBondContact NZ-OD1 2.95Å; K42-D56 IonicContact NZ-OD2 2.86Å; K42-D56 PolarHBondContact NZ-OD2 3.2Å
43P87.6Confident87.4Confident37 Ų3769.7 Ų69.724%0.2437%0.365CS..PPolyproline II helixtrans-59.7130.2174.926-33.4000109.5F50P43-F50 HydrophobicContact CB-CD1 4.25Å; P43-F50 HydrophobicContact CB-CE1 3.76Å; P43-F50 HydrophobicContact CB-CE2 4.19Å; P43-F50 HydrophobicContact CB-CZ 3.73Å; P43-F50 HydrophobicContact CG-CE2 4.32Å; P43-F50 HydrophobicContact CG-CZ 4.33Å
44E81Confident88.3Confident146 Ų14665.4 Ų65.468%0.68234%0.34SS*.SBendtrans-80.8-27177.3-62.5179.9-168.400110.8K42 R73K42-E44 PolarHBondContact O-N 3Å; E44-R73 IonicContact OE1-NH2 2.8Å; E44-R73 PolarHBondContact OE1-NH2 3.06Å
45S75.7Confident88.9Confident41 Ų4166.2 Ų66.229%0.28735%0.348SS..SBendtrans-81.9141.2-179.673.30000113L47 Q48S45-L47 PolarHBondContact O-N 3.37Å; S45-Q48 PolarHBondContact O-N 3.32Å
46P66.7Low89.3Confident125 Ų12563.6 Ų63.681%0.81233%0.329SS*.THydrogen-bonded Turntrans-66.6-22.8175.225-32.5000113.7Q48P46-Q48 PolarHBondContact O-N 2.85Å
47L68.6Low89.4Confident106 Ų10665.5 Ų65.556%0.55534%0.336SS*.THydrogen-bonded Turntrans-65.1-5.2177.3-76.2154.7000113.8S45 S49S45-L47 PolarHBondContact O-N 3.37Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 3.43Å
48Q74.1Confident89.4Confident131 Ų13161.1 Ų61.161%0.61232%0.316SS*.  trans38.158.4179.6-68.3-17320.400112.8S45 P46 F50S45-Q48 PolarHBondContact O-N 3.32Å; P46-Q48 PolarHBondContact O-N 2.85Å; Q48-F50 PolarHBondContact O-N 3.03Å
49S89Confident89.4Confident23 Ų2360.9 Ų60.916%0.16132%0.315CS..  trans-61.5-14.2-179.5650000113.3L47 H62L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 3.43Å; S49-H62 PolarHBondContact O-N 2.98Å
50F94.4Very high89.3Confident8 Ų858.6 Ų58.64%0.03531%0.309CS..EExtended strand (participates in β ladder)trans-146.1157.2166.965.7-90.2000112.2C41 P43 Q48 L52 V59 T60 F61 V71 A72C41-F50 WeakPolarHBondContact O-CE2 3.46Å; C41-F50 WeakPolarHBondContact O-CZ 3.47Å; P43-F50 HydrophobicContact CB-CD1 4.25Å; P43-F50 HydrophobicContact CB-CE1 3.76Å; P43-F50 HydrophobicContact CB-CE2 4.19Å; P43-F50 HydrophobicContact CB-CZ 3.73Å; P43-F50 HydrophobicContact CG-CE2 4.32Å; P43-F50 HydrophobicContact CG-CZ 4.33Å; Q48-F50 PolarHBondContact O-N 3.03Å; F50-L52 HydrophobicContact CD2-CD2 3.71Å; F50-L52 HydrophobicContact CD2-CG 4.15Å; F50-L52 HydrophobicContact CE2-CD1 4.39Å; F50-L52 HydrophobicContact CE2-CD2 3.66Å; F50-L52 HydrophobicContact CE2-CG 3.92Å; F50-V59 HydrophobicContact CB-CG2 3.82Å; F50-V59 HydrophobicContact CD2-CG2 3.68Å; F50-V59 HydrophobicContact CE2-CG2 4.47Å; F50-V59 HydrophobicContact CG-CG2 3.91Å; F50-T60 CarbonylContact C-O 3.52Å; F50-T60 VanDerWaalsContact CA-O 3.23Å; F50-T60 WeakPolarHBondContact CA-O 3.32Å; F50-T60 WeakPolarHBondContact CB-O 3.17Å; F50-F61 HydrophobicContact CB-CD1 3.68Å; F50-F61 HydrophobicContact CB-CE1 4.17Å; F50-F61 HydrophobicContact CB-CG 4.35Å; F50-F61 HydrophobicContact CD1-CE1 4.41Å; F50-F61 HydrophobicContact CG-CD1 4.39Å; F50-F61 HydrophobicContact CG-CE1 4.43Å; F50-V71 WeakPolarHBondContact CE1-O 3.37Å; F50-A72 HydrophobicContact CD1-CB 4.3Å; F50-A72 HydrophobicContact CD2-CB 4.39Å; F50-A72 HydrophobicContact CE1-CB 4.03Å; F50-A72 HydrophobicContact CE2-CB 4.11Å; F50-A72 HydrophobicContact CG-CB 4.46Å; F50-A72 HydrophobicContact CZ-CB 3.92Å
51Q94.6Very high89.2Confident111 Ų11158.5 Ų58.552%0.51931%0.308SS..EExtended strand (participates in β ladder)trans-115143.6173-174.8178.20.900110.2T60 P63Q51-T60 PolarHBondContact N-O 2.92Å; Q51-T60 PolarHBondContact O-N 3.22Å; Q51-P63 HydrophobicContact CB-CG 4.4Å
52L95.9Very high89.1Confident22 Ų2257.7 Ų57.712%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-102.9143.9174.7-61-171.6000111.8W40 K42 F50 D56 T58 V59W40-L52 HydrophobicContact CB-CD1 3.93Å; W40-L52 HydrophobicContact CB-CD2 3.68Å; W40-L52 HydrophobicContact CB-CG 4.5Å; W40-L52 HydrophobicContact CG-CD2 4.28Å; W40-L52 WeakPolarHBondContact O-CD1 3.44Å; K42-L52 HydrophobicContact CD-CD1 3.97Å; F50-L52 HydrophobicContact CD2-CD2 3.71Å; F50-L52 HydrophobicContact CD2-CG 4.15Å; F50-L52 HydrophobicContact CE2-CD1 4.39Å; F50-L52 HydrophobicContact CE2-CD2 3.66Å; F50-L52 HydrophobicContact CE2-CG 3.92Å; L52-D56 VanDerWaalsContact CB-OD1 3.25Å; L52-D56 WeakPolarHBondContact CB-OD1 3.21Å; L52-D56 HydrophobicContact CD1-CB 3.85Å; L52-T58 WeakPolarHBondContact CA-O 3.46Å; L52-V59 HydrophobicContact CD2-CB 3.88Å; L52-V59 HydrophobicContact CD2-CG2 4.09Å
53S94.6Very high89Confident45 Ų4553.3 Ų53.332%0.31529%0.286SS..EExtended strand (participates in β ladder)trans-142.8175.8175.264.80000111.4N55 D56 K57 T58S53-N55 VanDerWaalsContact C-N 3.34Å; S53-N55 PolarHBondContact O-N 3.44Å; S53-D56 PolarHBondContact O-N 3.5Å; S53-D56 VanDerWaalsContact O-N 3.11Å; S53-K57 PolarHBondContact O-N 2.96Å; S53-T58 PolarHBondContact N-O 3.43Å; S53-T58 PolarHBondContact O-N 2.95Å; S53-T58 VanDerWaalsContact O-N 3.12Å; S53-T58 WeakPolarHBondContact OG-CB 3.45Å
54E92.8Very high89.1Confident61 Ų6157.2 Ų57.229%0.28531%0.309SS..THydrogen-bonded Turntrans57.742.7179.4-53.5-175.9-136.900113.5R27 K57 T58 R201R27-E54 IonicContact CZ-OE2 2.71Å; R27-E54 IonicContact NH1-OE1 3.99Å; R27-E54 IonicContact NH1-OE2 3.46Å; R27-E54 PolarHBondContact NH1-OE2 3.09Å; R27-E54 IonicContact NH2-OE1 3.96Å; R27-E54 PolarHBondContact NH2-OE1 2.86Å; R27-E54 IonicContact NH2-OE2 2.68Å; R27-E54 PolarHBondContact NH2-OE2 3.16Å; E54-K57 HydrophobicContact CB-CB 4.33Å; E54-K57 VanDerWaalsContact O-CG 3.26Å; E54-K57 WeakPolarHBondContact O-CG 3.22Å; E54-T58 PolarHBondContact OE1-OG1 3.23Å; E54-R201 IonicContact OE1-CZ 3.93Å; E54-R201 IonicContact OE1-NE 2.86Å; E54-R201 PolarHBondContact OE1-NE 2.86Å; E54-R201 IonicContact OE1-NH2 3.22Å; E54-R201 PolarHBondContact OE1-NH2 2.84Å; E54-R201 VanDerWaalsContact OE1-NH2 3.08Å; E54-R201 IonicContact OE2-NE 3.2Å; E54-R201 PolarHBondContact OE2-NE 3.45Å
55N93.7Very high89.5Confident109 Ų10953.8 Ų53.858%0.58330%0.295SS*.THydrogen-bonded Turntrans58.650.7-172.6-172.119.2000110.9R39 S53 K57R39-N55 WeakPolarHBondContact CD-O 2.99Å; R39-N55 VanDerWaalsContact CZ-ND2 3.32Å; R39-N55 PolarHBondContact NH1-ND2 3.16Å; R39-N55 PolarHBondContact NH1-O 2.93Å; R39-N55 PolarHBondContact NH2-ND2 3.24Å; S53-N55 VanDerWaalsContact C-N 3.34Å; S53-N55 PolarHBondContact O-N 3.44Å; N55-K57 PolarHBondContact O-N 3.31Å; N55-K57 VanDerWaalsContact O-N 3.12Å
56D96Very high90.2Very high32 Ų3253 Ų5317%0.17129%0.29CS..THydrogen-bonded Turntrans62.621.2175.6-53.9-27.1000115.8R39 W40 K42 L52 S53R39-D56 HydrophobicContact CB-CB 4.1Å; W40-D56 PolarHBondContact N-O 2.78Å; K42-D56 WeakPolarHBondContact CE-OD2 3.43Å; K42-D56 IonicContact NZ-OD1 2.59Å; K42-D56 PolarHBondContact NZ-OD1 2.95Å; K42-D56 IonicContact NZ-OD2 2.86Å; K42-D56 PolarHBondContact NZ-OD2 3.2Å; L52-D56 VanDerWaalsContact CB-OD1 3.25Å; L52-D56 WeakPolarHBondContact CB-OD1 3.21Å; L52-D56 HydrophobicContact CD1-CB 3.85Å; S53-D56 PolarHBondContact O-N 3.5Å; S53-D56 VanDerWaalsContact O-N 3.11Å
57K95.3Very high91.3Very high65 Ų6554.7 Ų54.728%0.28328%0.28SS..THydrogen-bonded Turntrans-87.1-35.4172.9-61.3-176-178.2-168.80112.1L36 R39 W40 S53 E54 N55 L202L36-K57 HydrophobicContact CD1-CB 4.48Å; L36-K57 HydrophobicContact CD1-CD 3.61Å; L36-K57 HydrophobicContact CD1-CG 3.63Å; R39-K57 VanDerWaalsContact NH1-CE 3.29Å; W40-K57 PolarHBondContact NE1-O 3.23Å; W40-K57 VanDerWaalsContact NE1-O 3.11Å; S53-K57 PolarHBondContact O-N 2.96Å; E54-K57 HydrophobicContact CB-CB 4.33Å; E54-K57 VanDerWaalsContact O-CG 3.26Å; E54-K57 WeakPolarHBondContact O-CG 3.22Å; N55-K57 PolarHBondContact O-N 3.31Å; N55-K57 VanDerWaalsContact O-N 3.12Å; K57-L202 WeakPolarHBondContact O-CB 3.47Å; K57-L202 PolarHBondContact O-N 2.76Å
58T96.1Very high92.4Very high0 Ų049.6 Ų49.60%025%0.254CS..EExtended strand (participates in β ladder)trans-105.6122.8-176-59.80000109.3I23 L52 S53 E54 V90 F200 R201I23-T58 HydrophobicContact CD1-CG2 4.44Å; L52-T58 WeakPolarHBondContact CA-O 3.46Å; S53-T58 PolarHBondContact N-O 3.43Å; S53-T58 PolarHBondContact O-N 2.95Å; S53-T58 VanDerWaalsContact O-N 3.12Å; S53-T58 WeakPolarHBondContact OG-CB 3.45Å; E54-T58 PolarHBondContact OE1-OG1 3.23Å; T58-V90 HydrophobicContact CG2-CG2 4.45Å; T58-F200 CarbonylContact C-O 3.58Å; T58-F200 WeakPolarHBondContact CA-O 3.21Å; T58-R201 WeakPolarHBondContact OG1-CG 3.36Å
59V96.7Very high93.4Very high0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-100.6130.817157.80000109.3W40 F50 L52 F61 A72 V191 G199 F200W40-V59 HydrophobicContact CG-CB 4.39Å; F50-V59 HydrophobicContact CB-CG2 3.82Å; F50-V59 HydrophobicContact CD2-CG2 3.68Å; F50-V59 HydrophobicContact CE2-CG2 4.47Å; F50-V59 HydrophobicContact CG-CG2 3.91Å; L52-V59 HydrophobicContact CD2-CB 3.88Å; L52-V59 HydrophobicContact CD2-CG2 4.09Å; V59-F61 HydrophobicContact CG1-CE2 3.87Å; V59-F61 HydrophobicContact CG1-CZ 4.16Å; V59-F61 HydrophobicContact CG2-CD1 4.24Å; V59-F61 HydrophobicContact CG2-CD2 4.22Å; V59-F61 HydrophobicContact CG2-CE1 3.92Å; V59-F61 HydrophobicContact CG2-CE2 3.88Å; V59-F61 HydrophobicContact CG2-CG 4.41Å; V59-F61 HydrophobicContact CG2-CZ 3.74Å; V59-A72 HydrophobicContact CG2-CB 3.91Å; V59-V191 HydrophobicContact CG1-CG2 4.18Å; V59-G199 CarbonylContact O-C 3.42Å; V59-G199 WeakPolarHBondContact O-CA 3.34Å; V59-F200 HydrophobicContact CG1-CB 4.06Å; V59-F200 PolarHBondContact N-O 3.12Å; V59-F200 PolarHBondContact O-N 2.88Å
60T95.7Very high93.6Very high21 Ų2142.6 Ų42.613%0.12922%0.219CC..EExtended strand (participates in β ladder)trans-118.6107.8172.3-57.10000108.3F50 Q51 P63 S198F50-T60 CarbonylContact C-O 3.52Å; F50-T60 VanDerWaalsContact CA-O 3.23Å; F50-T60 WeakPolarHBondContact CA-O 3.32Å; F50-T60 WeakPolarHBondContact CB-O 3.17Å; Q51-T60 PolarHBondContact N-O 2.92Å; Q51-T60 PolarHBondContact O-N 3.22Å; T60-P63 HydrophobicContact CG2-CB 4.46Å; T60-S198 CarbonylContact C-O 3.57Å; T60-S198 WeakPolarHBondContact CA-O 3.01Å
61F95.1Very high93.7Very high0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-78143.2177-62.3-77.6000111.2F50 V59 A70 A72 V191 R197 S198 F200F50-F61 HydrophobicContact CB-CD1 3.68Å; F50-F61 HydrophobicContact CB-CE1 4.17Å; F50-F61 HydrophobicContact CB-CG 4.35Å; F50-F61 HydrophobicContact CD1-CE1 4.41Å; F50-F61 HydrophobicContact CG-CD1 4.39Å; F50-F61 HydrophobicContact CG-CE1 4.43Å; V59-F61 HydrophobicContact CG1-CE2 3.87Å; V59-F61 HydrophobicContact CG1-CZ 4.16Å; V59-F61 HydrophobicContact CG2-CD1 4.24Å; V59-F61 HydrophobicContact CG2-CD2 4.22Å; V59-F61 HydrophobicContact CG2-CE1 3.92Å; V59-F61 HydrophobicContact CG2-CE2 3.88Å; V59-F61 HydrophobicContact CG2-CG 4.41Å; V59-F61 HydrophobicContact CG2-CZ 3.74Å; F61-A70 HydrophobicContact CD1-CB 3.45Å; F61-A70 VanDerWaalsContact CD1-CB 3.45Å; F61-A70 HydrophobicContact CE1-CB 4.01Å; F61-A70 HydrophobicContact CG-CB 4.44Å; F61-A72 HydrophobicContact CE1-CB 3.97Å; F61-A72 HydrophobicContact CZ-CB 3.97Å; F61-V191 HydrophobicContact CE2-CB 4.45Å; F61-V191 HydrophobicContact CE2-CG2 4.17Å; F61-V191 HydrophobicContact CZ-CB 4.15Å; F61-V191 HydrophobicContact CZ-CG2 3.69Å; F61-R197 WeakPolarHBondContact O-CA 3.18Å; F61-R197 PolarHBondContact O-N 3.28Å; F61-R197 VanDerWaalsContact O-N 3.15Å; F61-S198 PolarHBondContact N-O 2.87Å; F61-S198 PolarHBondContact O-N 2.91Å; F61-F200 HydrophobicContact CE2-CD2 4.11Å
62H93.5Very high93.7Very high6 Ų637.8 Ų37.83%0.02820%0.197CC..SBendtrans45.763.3174.2-57.5-61.6000111.4S49 T64 I65 S66 G68 S193 L196 R197S49-H62 PolarHBondContact O-N 2.98Å; H62-T64 VanDerWaalsContact C-N 3.27Å; H62-T64 PolarHBondContact O-N 2.78Å; H62-I65 WeakPolarHBondContact CB-O 3.28Å; H62-S66 PolarHBondContact CD2-OG 3.1Å; H62-S66 PolarHBondContact NE2-OG 2.71Å; H62-G68 PolarHBondContact CE1-O 3.31Å; H62-G68 PolarHBondContact NE2-O 3.47Å; H62-S193 PolarHBondContact NE2-O 2.86Å; H62-L196 HydrophobicContact CB-CD1 4.29Å; H62-L196 WeakPolarHBondContact O-CD1 3.16Å; H62-R197 PolarHBondContact O-N 2.79Å
63P91.1Very high93.7Very high31 Ų3139.8 Ų39.820%0.20120%0.203CC..SBendtrans-65-31.5-172.224.9-34.2000113.1Q51 T60 R197Q51-P63 HydrophobicContact CB-CG 4.4Å; T60-P63 HydrophobicContact CG2-CB 4.46Å; P63-R197 WeakPolarHBondContact O-CG 3.26Å; P63-R197 PolarHBondContact O-NE 3.4Å
64T90.7Very high93.9Very high118 Ų11837.6 Ų37.672%0.72419%0.188SC*.SBendtrans-111.9-51.3-176.1-51.10000112.2H62 L196H62-T64 VanDerWaalsContact C-N 3.27Å; H62-T64 PolarHBondContact O-N 2.78Å; T64-L196 VanDerWaalsContact C-CD1 3.49Å; T64-L196 WeakPolarHBondContact O-CD1 3.45Å
65I88.9Confident94.1Very high74 Ų7438.3 Ų38.338%0.37920%0.197SC..  trans-145.1149.4-177.5-176.4157.1000108.9H62 W67H62-I65 WeakPolarHBondContact CB-O 3.28Å; I65-W67 HydrophobicContact CD1-CH2 3.99Å; I65-W67 HydrophobicContact CD1-CZ2 3.51Å; I65-W67 HydrophobicContact CG1-CD2 4.46Å; I65-W67 HydrophobicContact CG1-CZ2 4.2Å; I65-W67 HydrophobicContact CG2-CZ2 4.4Å
66S90.8Very high94.2Very high26 Ų2634.5 Ų34.518%0.18218%0.18CC..  trans-106120175.3-170.70000110.4H62 T194H62-S66 PolarHBondContact CD2-OG 3.1Å; H62-S66 PolarHBondContact NE2-OG 2.71Å; S66-T194 PolarHBondContact OG-O 3.35Å
67W89.4Confident94.3Very high159 Ų15935.9 Ų35.960%0.60219%0.188SC*.  trans-107.7-3.8-178.7-69111.7000114I65 R114I65-W67 HydrophobicContact CD1-CH2 3.99Å; I65-W67 HydrophobicContact CD1-CZ2 3.51Å; I65-W67 HydrophobicContact CG1-CD2 4.46Å; I65-W67 HydrophobicContact CG1-CZ2 4.2Å; I65-W67 HydrophobicContact CG2-CZ2 4.4Å; W67-R114 CarbonylContact O-C 3.53Å; W67-R114 WeakPolarHBondContact O-CA 3.39Å
68G92.3Very high94.4Very high0 Ų032.9 Ų32.90%018%0.175CC..SBendtrans159-146.4-174.300000111.1H62 S113 E115 F116H62-G68 PolarHBondContact CE1-O 3.31Å; H62-G68 PolarHBondContact NE2-O 3.47Å; G68-S113 WeakPolarHBondContact CA-O 3.47Å; G68-E115 CarbonylContact C-O 3.2Å; G68-E115 WeakPolarHBondContact CA-O 3.17Å; G68-F116 VanDerWaalsContact N-CE1 3.34Å
69T94.2Very high94.4Very high5 Ų535.6 Ų35.63%0.03119%0.191CC..  trans-98.7122.9-177.5-49.20000111.3Y112 S113 E115 R117 V119 T194T69-Y112 PolarHBondContact N-O 2.96Å; T69-S113 WeakPolarHBondContact O-CA 3.28Å; T69-E115 WeakPolarHBondContact CB-O 3.41Å; T69-E115 PolarHBondContact N-O 3.29Å; T69-E115 PolarHBondContact OG1-O 2.82Å; T69-R117 PolarHBondContact OG1-N 3.24Å; T69-R117 PolarHBondContact OG1-O 2.91Å; T69-V119 HydrophobicContact CG2-CB 4.24Å; T69-V119 HydrophobicContact CG2-CG1 3.67Å; T69-V119 HydrophobicContact CG2-CG2 3.54Å; T69-T194 HydrophobicContact CG2-CG2 4.15Å; T69-T194 WeakPolarHBondContact OG1-CG2 3.45Å
70A94.8Very high94.2Very high1 Ų139.9 Ų39.91%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-97.1141.2172.700000109.8F61 S192 S193F61-A70 HydrophobicContact CD1-CB 3.45Å; F61-A70 VanDerWaalsContact CD1-CB 3.45Å; F61-A70 HydrophobicContact CE1-CB 4.01Å; F61-A70 HydrophobicContact CG-CB 4.44Å; A70-S192 CarbonylContact O-C 3.53Å; A70-S192 WeakPolarHBondContact O-CA 3.5Å; A70-S192 WeakPolarHBondContact O-CB 3.3Å; A70-S193 PolarHBondContact N-O 3.2Å; A70-S193 PolarHBondContact O-N 2.6Å
71V95.1Very high93.9Very high18 Ų1839.3 Ų39.311%0.10921%0.212CC..EExtended strand (participates in β ladder)trans-127.1128176-1730000108.9F50 L109 V119 M190 V191F50-V71 WeakPolarHBondContact CE1-O 3.37Å; V71-L109 HydrophobicContact CG1-CD1 4.08Å; V71-L109 HydrophobicContact CG2-CB 3.91Å; V71-L109 HydrophobicContact CG2-CD1 4.43Å; V71-V119 HydrophobicContact CG2-CG2 3.63Å; V71-M190 HydrophobicContact CG1-CB 4.49Å; V71-M190 HydrophobicContact CG1-SD 4.43Å; V71-V191 CarbonylContact C-O 3.52Å; V71-V191 WeakPolarHBondContact CA-O 3.09Å
72A95.8Very high93.7Very high0 Ų039.3 Ų39.30%021%0.212CC..EExtended strand (participates in β ladder)trans-111.813617100000109.9W40 F50 V59 F61 M190 V191W40-A72 HydrophobicContact CE3-CB 4.27Å; F50-A72 HydrophobicContact CD1-CB 4.3Å; F50-A72 HydrophobicContact CD2-CB 4.39Å; F50-A72 HydrophobicContact CE1-CB 4.03Å; F50-A72 HydrophobicContact CE2-CB 4.11Å; F50-A72 HydrophobicContact CG-CB 4.46Å; F50-A72 HydrophobicContact CZ-CB 3.92Å; V59-A72 HydrophobicContact CG2-CB 3.91Å; F61-A72 HydrophobicContact CE1-CB 3.97Å; F61-A72 HydrophobicContact CZ-CB 3.97Å; A72-M190 WeakPolarHBondContact O-CA 3.06Å; A72-V191 HydrophobicContact CB-CG2 3.99Å; A72-V191 PolarHBondContact N-O 3.03Å; A72-V191 PolarHBondContact O-N 3.47Å
73R96Very high93.7Very high64 Ų6439.5 Ų39.524%0.24221%0.213CC..EExtended strand (participates in β ladder)trans-114.1142.6-175-174.317658.6101.9-8.1109.9C41 E44 Y188 M190C41-R73 WeakPolarHBondContact CB-O 3.45Å; C41-R73 PolarHBondContact N-O 3.33Å; E44-R73 IonicContact OE1-NH2 2.8Å; E44-R73 PolarHBondContact OE1-NH2 3.06Å; R73-Y188 HydrophobicContact CG-CD1 4.02Å; R73-Y188 HydrophobicContact CG-CD2 4.36Å; R73-Y188 HydrophobicContact CG-CG 3.73Å; R73-Y188 VanDerWaalsContact NH1-CE2 3.3Å; R73-Y188 PolarHBondContact NH1-OH 3.05Å; R73-M190 HydrophobicContact CG-CE 4.26Å; R73-M190 HydrophobicContact CG-CG 4.39Å
74G97.7Very high93.7Very high0 Ų038.1 Ų38.10%020%0.204CC..BIsolated β-bridgetrans-72.2153.817200000112.6R39 A76 Y188 P189R39-G74 CarbonylContact O-C 3.58Å; R39-G74 WeakPolarHBondContact O-CA 3.46Å; G74-A76 VanDerWaalsContact C-N 3.34Å; G74-A76 PolarHBondContact O-N 3.22Å; G74-Y188 VanDerWaalsContact O-CD1 3.25Å; G74-Y188 WeakPolarHBondContact O-CD1 3.13Å; G74-P189 PolarHBondContact N-O 3.03Å
75T97.2Very high94Very high75 Ų7532.6 Ų32.646%0.4617%0.17SC..SBendtrans-72.8-23.3-178.154.10000113.9W38 R39W38-T75 WeakPolarHBondContact CB-OG1 3.43Å; R39-T75 PolarHBondContact N-OG1 3.49Å; R39-T75 VanDerWaalsContact N-OG1 3.07Å; R39-T75 VanDerWaalsContact O-CG2 3.31Å; R39-T75 WeakPolarHBondContact O-CG2 3.46Å; R39-T75 PolarHBondContact O-N 2.93Å; R39-T75 PolarHBondContact O-OG1 2.97Å
76A96.5Very high94.2Very high29 Ų2930.4 Ų30.424%0.2416%0.158CC..SBendtrans-94.5131.4-178.600000112W38 G74 L78 Y188W38-A76 HydrophobicContact CB-CB 3.51Å; W38-A76 HydrophobicContact CG-CB 3.93Å; G74-A76 VanDerWaalsContact C-N 3.34Å; G74-A76 PolarHBondContact O-N 3.22Å; A76-L78 HydrophobicContact CB-CD2 4.38Å; A76-Y188 WeakPolarHBondContact O-CD1 3.35Å
77L97.8Very high94.5Very high62 Ų6229.2 Ų29.233%0.32515%0.149SC..  trans-77.9119.9165-17665000108.5T79 T105 N186 Y188L77-T79 HydrophobicContact CB-CG2 4.39Å; L77-T79 HydrophobicContact CD2-CG2 3.88Å; L77-T79 HydrophobicContact CG-CG2 3.77Å; L77-T79 PolarHBondContact O-N 2.91Å; L77-T105 HydrophobicContact CD1-CG2 3.55Å; L77-T105 HydrophobicContact CD2-CG2 4.42Å; L77-N186 HydrophobicContact CD1-CB 3.65Å; L77-N186 HydrophobicContact CD2-CB 4.05Å; L77-N186 HydrophobicContact CG-CB 3.84Å; L77-Y188 HydrophobicContact CB-CE1 3.82Å; L77-Y188 HydrophobicContact CD1-CD2 3.97Å; L77-Y188 HydrophobicContact CD1-CE1 4.15Å; L77-Y188 HydrophobicContact CD1-CE2 3.59Å; L77-Y188 HydrophobicContact CD1-CG 4.42Å
78L97.6Very high94.8Very high2 Ų221.7 Ų21.71%0.0112%0.121CC..BIsolated β-bridgetrans-88107.6-179-49.5179.9000108.4A76 H83 W85 L159 L161 N186 Y187 P189A76-L78 HydrophobicContact CB-CD2 4.38Å; L78-H83 HydrophobicContact CD1-CB 4.01Å; L78-H83 HydrophobicContact CD2-CB 4.13Å; L78-H83 HydrophobicContact CG-CB 4.47Å; L78-W85 HydrophobicContact CD1-CH2 4.4Å; L78-W85 HydrophobicContact CD1-CZ3 3.95Å; L78-L159 HydrophobicContact CB-CD2 3.82Å; L78-L159 HydrophobicContact CD1-CD2 3.6Å; L78-L159 HydrophobicContact CG-CD2 4.37Å; L78-L161 HydrophobicContact CB-CD1 4.48Å; L78-L161 WeakPolarHBondContact O-CD1 3.42Å; L78-N186 WeakPolarHBondContact O-CA 3.48Å; L78-Y187 WeakPolarHBondContact CA-O 3.4Å; L78-Y187 VanDerWaalsContact CB-O 3.25Å; L78-Y187 WeakPolarHBondContact CB-O 3.44Å; L78-Y187 WeakPolarHBondContact CG-O 3.41Å; L78-Y187 PolarHBondContact N-O 2.86Å; L78-Y187 PolarHBondContact O-N 3.44Å; L78-P189 HydrophobicContact CD1-CB 4.43Å; L78-P189 HydrophobicContact CD1-CG 4.25Å
79T96Very high95Very high56 Ų5621.7 Ų21.734%0.34412%0.121SC..  trans-114.1-31.7-165.953.10000114.7L77 N186L77-T79 HydrophobicContact CB-CG2 4.39Å; L77-T79 HydrophobicContact CD2-CG2 3.88Å; L77-T79 HydrophobicContact CG-CG2 3.77Å; L77-T79 PolarHBondContact O-N 2.91Å; T79-N186 VanDerWaalsContact CA-OD1 3.26Å; T79-N186 WeakPolarHBondContact CA-OD1 3.38Å; T79-N186 WeakPolarHBondContact CB-OD1 3.14Å; T79-N186 HydrophobicContact CG2-CB 4.17Å; T79-N186 WeakPolarHBondContact CG2-OD1 3.33Å
80N92.5Very high95Very high91 Ų9121.5 Ų21.549%0.48712%0.12SC..SBendtrans-158.1149.2-177.165.8-76.8000113.1H83N80-H83 PolarHBondContact O-CE1 2.84Å; N80-H83 PolarHBondContact O-NE2 3.1Å; N80-H83 VanDerWaalsContact O-NE2 3.09Å
81G89.3Confident95Very high8 Ų821.6 Ų21.68%0.08212%0.12CC..SBendtrans89.9-145.317600000112.2L161G81-L161 PolarHBondContact O-N 3.45Å
82L90.3Very high94.8Very high0 Ų022.7 Ų22.70%013%0.128CC..EExtended strand (participates in β ladder)trans-110.2134.7175.3-56.4167.3000109L158 L159 D160 S207 Y208 I210 Y214 P254L82-L158 HydrophobicContact CB-CD1 4.46Å; L82-L159 CarbonylContact C-O 3.39Å; L82-L159 WeakPolarHBondContact CA-O 3.23Å; L82-D160 HydrophobicContact CD2-CB 3.64Å; L82-S207 CarbonylContact O-C 3.58Å; L82-S207 VanDerWaalsContact O-CA 3.24Å; L82-S207 WeakPolarHBondContact O-CA 3.47Å; L82-Y208 PolarHBondContact N-O 3.33Å; L82-Y208 PolarHBondContact O-N 3.35Å; L82-I210 HydrophobicContact CD1-CD1 3.98Å; L82-I210 HydrophobicContact CD2-CD1 3.73Å; L82-I210 HydrophobicContact CG-CD1 3.58Å; L82-I210 HydrophobicContact CG-CG1 4.29Å; L82-Y214 HydrophobicContact CD1-CD2 4.03Å; L82-Y214 HydrophobicContact CD1-CE1 3.96Å; L82-Y214 HydrophobicContact CD1-CE2 3.35Å; L82-Y214 WeakPolarHBondContact CD1-OH 3.15Å; L82-P254 HydrophobicContact CD1-CB 4.06Å; L82-P254 HydrophobicContact CD1-CG 4.31Å
83H93.2Very high94.7Very high10 Ų1023.8 Ų23.85%0.04613%0.134CC..EExtended strand (participates in β ladder)trans-122.1127.2172.5-53.7-85.2000108.5L78 N80 W85 L159 S207L78-H83 HydrophobicContact CD1-CB 4.01Å; L78-H83 HydrophobicContact CD2-CB 4.13Å; L78-H83 HydrophobicContact CG-CB 4.47Å; N80-H83 PolarHBondContact O-CE1 2.84Å; N80-H83 PolarHBondContact O-NE2 3.1Å; N80-H83 VanDerWaalsContact O-NE2 3.09Å; H83-W85 HydrophobicContact CB-CZ3 4.48Å; H83-L159 HydrophobicContact CB-CB 4.28Å; H83-L159 PolarHBondContact N-O 3.3Å; H83-L159 PolarHBondContact O-N 3.41Å; H83-S207 WeakPolarHBondContact ND1-CB 3.45Å; H83-S207 PolarHBondContact ND1-OG 3.37Å
84F92.7Very high94.5Very high3 Ų326 Ų261%0.01314%0.143CC..EExtended strand (participates in β ladder)trans-126.7127.9179.2-176.1-105.5000110.7E86 C157 L158 F169 K206 Y208 L253 L257F84-E86 HydrophobicContact CD1-CG 4.48Å; F84-E86 HydrophobicContact CE1-CG 3.46Å; F84-E86 VanDerWaalsContact CE1-CG 3.46Å; F84-E86 HydrophobicContact CZ-CG 3.49Å; F84-E86 VanDerWaalsContact CZ-CG 3.49Å; F84-C157 WeakPolarHBondContact CA-O 3.4Å; F84-C157 WeakPolarHBondContact CD2-O 3.44Å; F84-L158 HydrophobicContact CB-CD1 4.12Å; F84-L158 HydrophobicContact CD2-CB 3.96Å; F84-L158 HydrophobicContact CD2-CD1 4.21Å; F84-F169 HydrophobicContact CE2-CD2 4.12Å; F84-F169 HydrophobicContact CE2-CE2 4.16Å; F84-K206 PolarHBondContact N-O 2.89Å; F84-K206 PolarHBondContact O-N 3.3Å; F84-Y208 HydrophobicContact CB-CE2 4.49Å; F84-L253 HydrophobicContact CD1-CD2 3.52Å; F84-L253 HydrophobicContact CE1-CD2 3.65Å; F84-L257 HydrophobicContact CD1-CD1 3.87Å; F84-L257 HydrophobicContact CD2-CD1 4.28Å; F84-L257 HydrophobicContact CE1-CD1 3.26Å; F84-L257 HydrophobicContact CE2-CD1 3.76Å; F84-L257 HydrophobicContact CG-CD1 4.34Å; F84-L257 HydrophobicContact CZ-CD1 3.21Å
85W95Very high94.1Very high1 Ų127.8 Ų27.80%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-137.7154.7174.568.697.9000111.5W38 L78 H83 I102 G156 C157 L159 L166 P189 L202 R204 A205W38-W85 HydrophobicContact CH2-CB 4.47Å; W38-W85 HydrophobicContact CH2-CG 4.22Å; W38-W85 HydrophobicContact CZ2-CB 3.65Å; W38-W85 AromaticContact CZ2-CD1 3.92Å; W38-W85 HydrophobicContact CZ2-CD2 4.05Å; W38-W85 AromaticContact CZ2-CG 3.6Å; W38-W85 HydrophobicContact CZ2-CG 3.6Å; L78-W85 HydrophobicContact CD1-CH2 4.4Å; L78-W85 HydrophobicContact CD1-CZ3 3.95Å; H83-W85 HydrophobicContact CB-CZ3 4.48Å; W85-I102 HydrophobicContact CH2-CG2 3.57Å; W85-I102 HydrophobicContact CZ2-CG2 3.91Å; W85-G156 CarbonylContact O-C 3.51Å; W85-G156 WeakPolarHBondContact O-CA 3.13Å; W85-C157 HydrophobicContact CD2-CB 3.62Å; W85-C157 HydrophobicContact CE3-CB 3.98Å; W85-C157 HydrophobicContact CG-CB 4.27Å; W85-C157 HydrophobicContact CH2-CB 3.59Å; W85-C157 HydrophobicContact CZ2-CB 3.2Å; W85-C157 HydrophobicContact CZ3-CB 3.96Å; W85-C157 PolarHBondContact N-O 2.94Å; W85-C157 VanDerWaalsContact N-O 3.1Å; W85-C157 PolarHBondContact O-N 3.25Å; W85-L159 HydrophobicContact CH2-CB 4.25Å; W85-L159 HydrophobicContact CZ3-CB 3.87Å; W85-L166 HydrophobicContact CH2-CD1 4.2Å; W85-P189 HydrophobicContact CD2-CB 4.25Å; W85-P189 HydrophobicContact CH2-CB 4.23Å; W85-P189 HydrophobicContact CZ2-CB 3.75Å; W85-L202 HydrophobicContact CB-CD1 4.23Å; W85-R204 CarbonylContact C-O 3.59Å; W85-R204 WeakPolarHBondContact CA-O 3.37Å; W85-R204 WeakPolarHBondContact CB-O 3.08Å; W85-A205 HydrophobicContact CB-CB 4.47Å
86E94.6Very high93.9Very high29 Ų2927.3 Ų27.314%0.13616%0.158CC..EExtended strand (participates in β ladder)trans-128.2133.2178.3-65.4176.513500109.6F84 I154 I155 I203 R204F84-E86 HydrophobicContact CD1-CG 4.48Å; F84-E86 HydrophobicContact CE1-CG 3.46Å; F84-E86 VanDerWaalsContact CE1-CG 3.46Å; F84-E86 HydrophobicContact CZ-CG 3.49Å; F84-E86 VanDerWaalsContact CZ-CG 3.49Å; E86-I154 HydrophobicContact CB-CG2 4.05Å; E86-I154 HydrophobicContact CG-CG2 4.4Å; E86-I155 CarbonylContact C-O 3.57Å; E86-I155 WeakPolarHBondContact CA-O 3.43Å; E86-I203 HydrophobicContact CB-CD1 4.01Å; E86-I203 HydrophobicContact CB-CG1 3.63Å; E86-I203 WeakPolarHBondContact O-CG1 3.47Å; E86-I203 PolarHBondContact O-N 3.48Å; E86-R204 HydrophobicContact CB-CB 3.93Å; E86-R204 HydrophobicContact CG-CB 4.2Å; E86-R204 PolarHBondContact N-O 3.27Å; E86-R204 PolarHBondContact O-N 3.46Å; E86-R204 WeakPolarHBondContact OE2-CD 3.28Å; E86-R204 IonicContact OE2-CZ 3.71Å; E86-R204 IonicContact OE2-NE 2.72Å; E86-R204 PolarHBondContact OE2-NE 2.79Å; E86-R204 IonicContact OE2-NH2 3.43Å
87L96.6Very high93.9Very high0 Ų026 Ų260%015%0.148CC..EExtended strand (participates in β ladder)trans-115.6130.6176.7-56.5-175000109.5W40 V100 I154 I155 V191 F200 R201 L202W40-L87 HydrophobicContact CH2-CD1 4.3Å; W40-L87 HydrophobicContact CH2-CD2 4.21Å; W40-L87 HydrophobicContact CZ2-CD1 4.25Å; W40-L87 HydrophobicContact CZ2-CD2 3.63Å; L87-V100 HydrophobicContact CD1-CB 4.49Å; L87-V100 HydrophobicContact CD1-CG1 3.64Å; L87-V100 HydrophobicContact CD1-CG2 4.03Å; L87-I154 CarbonylContact O-C 3.37Å; L87-I154 WeakPolarHBondContact O-CA 3.43Å; L87-I155 PolarHBondContact N-O 2.81Å; L87-I155 PolarHBondContact O-N 3.31Å; L87-V191 HydrophobicContact CD1-CG1 3.34Å; L87-F200 HydrophobicContact CB-CD1 4.09Å; L87-R201 CarbonylContact C-O 3.58Å; L87-R201 WeakPolarHBondContact CA-O 3.38Å; L87-L202 HydrophobicContact CD2-CB 4.19Å; L87-L202 HydrophobicContact CD2-CD1 3.55Å; L87-L202 HydrophobicContact CD2-CG 4.5Å
88K95.7Very high93.9Very high1 Ų123 Ų230%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-96.1123.3170.1-169.9172.3-172.1172.30109.1C26 C28 E30 V90 I154 F200 R201 I203C26-K88 PolarHBondContact O-NZ 2.95Å; C26-K88 PolarHBondContact SG-NZ 3.16Å; C28-K88 PolarHBondContact O-NZ 3.2Å; C28-K88 PolarHBondContact SG-NZ 3.25Å; E30-K88 IonicContact OE1-NZ 2.8Å; K88-V90 HydrophobicContact CB-CG1 4.43Å; K88-V90 HydrophobicContact CG-CG1 4.27Å; K88-V90 PolarHBondContact O-N 3.3Å; K88-I154 HydrophobicContact CG-CG1 4.35Å; K88-F200 WeakPolarHBondContact O-CA 3.29Å; K88-R201 HydrophobicContact CB-CB 4.47Å; K88-R201 PolarHBondContact N-O 3.22Å; K88-R201 PolarHBondContact O-N 3.45Å; K88-I203 HydrophobicContact CB-CD1 4.47Å; K88-I203 HydrophobicContact CB-CG2 3.91Å
89A96.2Very high93.9Very high0 Ų023 Ų230%013%0.132CC..EExtended strand (participates in β ladder)trans-70.7109.3169.600000108.5L93 K150 G152 S153 I155 F200A89-L93 HydrophobicContact CB-CD1 4.07Å; A89-K150 VanDerWaalsContact CB-O 3.29Å; A89-K150 WeakPolarHBondContact CB-O 3.45Å; A89-G152 PolarHBondContact O-N 3.16Å; A89-S153 PolarHBondContact N-O 3.05Å; A89-I155 HydrophobicContact CB-CD1 4.25Å; A89-F200 HydrophobicContact CB-CD1 4.28Å; A89-F200 HydrophobicContact CB-CE1 4.02Å
90V95.1Very high94Very high1 Ų120.3 Ų20.31%0.00612%0.115CC..  trans-97.8-9.9-173-66.80000113.4I23 L24 T58 K88 G199 R201I23-V90 CarbonylContact C-O 3.57Å; I23-V90 WeakPolarHBondContact CA-O 3.46Å; I23-V90 HydrophobicContact CD1-CG2 4.14Å; I23-V90 HydrophobicContact CG1-CB 3.89Å; I23-V90 HydrophobicContact CG1-CG2 3.87Å; L24-V90 HydrophobicContact CB-CB 4.22Å; L24-V90 HydrophobicContact CB-CG1 4.46Å; L24-V90 WeakPolarHBondContact CB-O 3.31Å; L24-V90 WeakPolarHBondContact CG-O 3.25Å; L24-V90 PolarHBondContact N-O 2.76Å; T58-V90 HydrophobicContact CG2-CG2 4.45Å; K88-V90 HydrophobicContact CB-CG1 4.43Å; K88-V90 HydrophobicContact CG-CG1 4.27Å; K88-V90 PolarHBondContact O-N 3.3Å; V90-G199 VanDerWaalsContact CG2-O 3.3Å; V90-G199 WeakPolarHBondContact CG2-O 3.46Å; V90-G199 PolarHBondContact N-O 3.39Å; V90-R201 HydrophobicContact CG1-CB 3.8Å
91S93.9Very high94.3Very high3 Ų316 Ų162%0.0219%0.092CC..SBendtrans-123.6166.3178.967.70000110.9W22 K151 R197 S198 G199W22-S91 VanDerWaalsContact O-CB 3.31Å; W22-S91 WeakPolarHBondContact O-CB 3.5Å; S91-K151 WeakPolarHBondContact O-CA 3.27Å; S91-K151 VanDerWaalsContact O-CB 3.23Å; S91-K151 WeakPolarHBondContact O-CB 3.18Å; S91-K151 WeakPolarHBondContact O-CG 3.3Å; S91-R197 WeakPolarHBondContact CB-O 3.32Å; S91-S198 WeakPolarHBondContact OG-CA 3.25Å; S91-G199 PolarHBondContact OG-N 3.18Å
92P91.8Very high94.7Very high42 Ų4215.6 Ų15.627%0.2739%0.088SC..  trans-51.5142.1159.5-24.536000111.2D19 Y94 K151D19-P92 VanDerWaalsContact O-CG 3.27Å; D19-P92 WeakPolarHBondContact O-CG 3.35Å; P92-Y94 HydrophobicContact CB-CD1 4.25Å; P92-Y94 HydrophobicContact CB-CE1 4.37Å; P92-K151 HydrophobicContact CG-CD 4.02Å
93L93.1Very high95.1Very high22 Ų2215.6 Ų15.612%0.1159%0.088CC..  trans-118.3127.3176.6-55.2-175.9000108A89 V98 Y131 F149 F200A89-L93 HydrophobicContact CB-CD1 4.07Å; L93-V98 HydrophobicContact CB-CG2 4.46Å; L93-V98 HydrophobicContact CD2-CG1 4.12Å; L93-V98 HydrophobicContact CD2-CG2 4.31Å; L93-Y131 HydrophobicContact CB-CD2 3.88Å; L93-Y131 HydrophobicContact CB-CE2 4.39Å; L93-Y131 HydrophobicContact CB-CG 4.25Å; L93-F149 HydrophobicContact CD1-CD2 3.54Å; L93-F149 HydrophobicContact CD1-CE2 3.52Å; L93-F200 HydrophobicContact CD1-CZ 4.4Å
94Y90.8Very high95.3Very high110 Ų11017.3 Ų17.343%0.4319%0.094SC..  trans-160.1-166.5-176.658.4-82.3000108.2P92 T195 L196P92-Y94 HydrophobicContact CB-CD1 4.25Å; P92-Y94 HydrophobicContact CB-CE1 4.37Å; Y94-T195 HydrophobicContact CD1-CG2 3.66Å; Y94-T195 HydrophobicContact CD2-CG2 3.53Å; Y94-T195 HydrophobicContact CE1-CG2 3.5Å; Y94-T195 HydrophobicContact CE2-CG2 3.41Å; Y94-T195 VanDerWaalsContact CE2-CG2 3.41Å; Y94-T195 HydrophobicContact CG-CG2 3.65Å; Y94-T195 WeakPolarHBondContact O-CB 3.34Å; Y94-T195 WeakPolarHBondContact O-CG2 3.19Å; Y94-T195 PolarHBondContact O-OG1 3.37Å; Y94-L196 PolarHBondContact OH-O 2.7Å
95G90Very high95.3Very high38 Ų3821.1 Ų21.139%0.39212%0.118SC..SBendtrans82.7-163.4175.800000113.5R132G95-R132 PolarHBondContact O-NH2 3.23Å
96T93.6Very high95.2Very high65 Ų6524 Ų2440%0.39914%0.137SC..SBendtrans-64.5-52.2-176.7-58.50000111.5F116 R132 T194T96-F116 HydrophobicContact CG2-CB 4.46Å; T96-R132 VanDerWaalsContact O-CZ 3.27Å; T96-R132 PolarHBondContact O-NH1 3.5Å; T96-R132 PolarHBondContact O-NH2 3.15Å; T96-T194 PolarHBondContact N-OG1 2.82Å
97D95.9Very high95Very high2 Ų223.5 Ų23.51%0.01114%0.139CC..  trans-161.1157.7168.6-145.3-8.5000114.3M99 S118 S130 Y131 R132 T194D97-M99 HydrophobicContact CB-CG 4.18Å; D97-M99 WeakPolarHBondContact OD2-CG 3.28Å; D97-S118 VanDerWaalsContact CB-OG 3.29Å; D97-S118 WeakPolarHBondContact CB-OG 3.33Å; D97-S118 VanDerWaalsContact CG-OG 3.3Å; D97-S118 WeakPolarHBondContact OD2-CB 3.38Å; D97-S118 PolarHBondContact OD2-OG 3.36Å; D97-S130 WeakPolarHBondContact OD1-CB 3.18Å; D97-S130 PolarHBondContact OD1-OG 3.42Å; D97-S130 WeakPolarHBondContact OD2-CB 3.12Å; D97-S130 PolarHBondContact OD2-OG 3.21Å; D97-Y131 WeakPolarHBondContact OD1-CD1 3.42Å; D97-R132 IonicContact OD1-NH1 3.96Å; D97-T194 PolarHBondContact N-OG1 3.26Å; D97-T194 PolarHBondContact O-N 3.22Å; D97-T194 PolarHBondContact O-OG1 3.48Å; D97-T194 VanDerWaalsContact O-OG1 3.05Å
98V97.5Very high94.6Very high0 Ų030.6 Ų30.60%017%0.169CC..EExtended strand (participates in β ladder)trans-136124.4166.7-174.40000107.1L93 S130 Y131 S192 F200L93-V98 HydrophobicContact CB-CG2 4.46Å; L93-V98 HydrophobicContact CD2-CG1 4.12Å; L93-V98 HydrophobicContact CD2-CG2 4.31Å; V98-S130 CarbonylContact O-C 3.41Å; V98-Y131 HydrophobicContact CB-CD1 4.01Å; V98-Y131 HydrophobicContact CB-CG 4.32Å; V98-Y131 HydrophobicContact CG2-CD1 4.39Å; V98-Y131 WeakPolarHBondContact O-CB 3.31Å; V98-Y131 PolarHBondContact O-N 3.46Å; V98-S192 CarbonylContact C-O 3.6Å; V98-S192 WeakPolarHBondContact CA-O 3.47Å; V98-F200 HydrophobicContact CG1-CE2 3.37Å; V98-F200 HydrophobicContact CG1-CZ 3.47Å; V98-F200 VanDerWaalsContact CG1-CZ 3.47Å
99M98.1Very high94.2Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-132149.2-169.8-47.6179.782.800112.1D97 S118 L120 L129 M136 V191 S192D97-M99 HydrophobicContact CB-CG 4.18Å; D97-M99 WeakPolarHBondContact OD2-CG 3.28Å; M99-S118 VanDerWaalsContact SD-CA 3.58Å; M99-L120 HydrophobicContact CB-CB 4.18Å; M99-L120 HydrophobicContact CB-CD1 3.93Å; M99-L120 HydrophobicContact CB-CG 4.3Å; M99-L120 HydrophobicContact CE-CB 4.18Å; M99-L120 WeakPolarHBondContact CE-O 3.34Å; M99-L120 HydrophobicContact SD-CB 3.95Å; M99-L129 VanDerWaalsContact CA-O 3.28Å; M99-L129 WeakPolarHBondContact CA-O 3.48Å; M99-M136 HydrophobicContact CE-CB 3.92Å; M99-M136 HydrophobicContact CE-CG 4.04Å; M99-M136 HydrophobicContact CE-SD 3.57Å; M99-M136 VanDerWaalsContact CE-SD 3.57Å; M99-V191 CarbonylContact O-C 2.89Å; M99-V191 VanDerWaalsContact O-CA 3.27Å; M99-V191 WeakPolarHBondContact O-CA 3.47Å; M99-S192 WeakPolarHBondContact CB-OG 2.85Å; M99-S192 PolarHBondContact N-O 3.35Å; M99-S192 PolarHBondContact O-N 2.82Å
100V98.3Very high93.8Very high0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans-120.7137.1170.9-177.80000108.1L87 L129 F149 I155 C157 F168 V191 F200L87-V100 HydrophobicContact CD1-CB 4.49Å; L87-V100 HydrophobicContact CD1-CG1 3.64Å; L87-V100 HydrophobicContact CD1-CG2 4.03Å; V100-L129 PolarHBondContact N-O 2.77Å; V100-L129 PolarHBondContact O-N 3.17Å; V100-F149 HydrophobicContact CG2-CZ 3.96Å; V100-I155 HydrophobicContact CB-CG2 4.23Å; V100-I155 HydrophobicContact CG1-CG2 4.17Å; V100-I155 HydrophobicContact CG2-CB 4.43Å; V100-I155 HydrophobicContact CG2-CG1 4.41Å; V100-I155 HydrophobicContact CG2-CG2 4.19Å; V100-C157 VanDerWaalsContact CG1-SG 3.55Å; V100-F168 WeakPolarHBondContact O-CE1 3.38Å; V100-V191 HydrophobicContact CB-CG1 4.35Å; V100-V191 HydrophobicContact CG1-CG1 4.25Å; V100-V191 HydrophobicContact CG2-CG1 4.03Å; V100-F200 HydrophobicContact CG2-CE1 4.1Å; V100-F200 HydrophobicContact CG2-CZ 4.04Å
101G98.1Very high93.4Very high0 Ų042.1 Ų42.10%023%0.226CC..EExtended strand (participates in β ladder)trans-179.5-152.6-176.600000114.7W127 M190G101-W127 CarbonylContact C-O 3.47Å; G101-W127 WeakPolarHBondContact CA-O 3.38Å; G101-M190 CarbonylContact C-O 3.59Å; G101-M190 PolarHBondContact N-O 3.01Å; G101-M190 PolarHBondContact O-N 3.38Å; G101-M190 VanDerWaalsContact O-O 3.08Å
102I98.5Very high93.1Very high0 Ų044.6 Ų44.60%024%0.235CC..EExtended strand (participates in β ladder)trans-138.1159.717866.1176.8000110.5W85 S126 W127 L159 L166 L182 Y187 Y188W85-I102 HydrophobicContact CH2-CG2 3.57Å; W85-I102 HydrophobicContact CZ2-CG2 3.91Å; I102-S126 WeakPolarHBondContact O-CA 3.37Å; I102-W127 HydrophobicContact CD1-CE3 4.31Å; I102-W127 HydrophobicContact CG1-CB 4.13Å; I102-W127 HydrophobicContact CG1-CE3 4.01Å; I102-W127 PolarHBondContact N-O 3.37Å; I102-W127 PolarHBondContact O-N 3.38Å; I102-L159 HydrophobicContact CD1-CD1 4Å; I102-L166 HydrophobicContact CD1-CB 4.5Å; I102-L166 HydrophobicContact CD1-CD2 3.83Å; I102-L166 HydrophobicContact CG1-CD2 3.83Å; I102-L166 HydrophobicContact CG2-CD1 4.41Å; I102-L166 HydrophobicContact CG2-CD2 4.15Å; I102-L182 HydrophobicContact CD1-CD1 3.63Å; I102-L182 HydrophobicContact CD1-CD2 4.05Å; I102-Y187 HydrophobicContact CB-CD1 4.46Å; I102-Y187 HydrophobicContact CD1-CD1 3.6Å; I102-Y187 HydrophobicContact CD1-CD2 4.45Å; I102-Y187 HydrophobicContact CD1-CE1 4.03Å; I102-Y187 HydrophobicContact CD1-CG 3.82Å; I102-Y187 HydrophobicContact CG1-CD1 4.07Å; I102-Y188 WeakPolarHBondContact CA-O 2.97Å; I102-Y188 WeakPolarHBondContact CB-O 3.15Å
103G97.9Very high93Very high0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-143.5154.3168.200000111.5D125 Y187 Y188G103-D125 CarbonylContact C-O 3.54Å; G103-D125 WeakPolarHBondContact CA-O 3.3Å; G103-Y187 CarbonylContact O-C 3.54Å; G103-Y187 WeakPolarHBondContact O-CA 3.42Å; G103-Y188 PolarHBondContact N-O 3.12Å; G103-Y188 PolarHBondContact O-N 3.07Å
104R97.4Very high93Very high46 Ų4653.2 Ų53.217%0.17427%0.268CS..EExtended strand (participates in β ladder)trans-67.6167.1172.3-67.4-178.3-174.11512.3111C106 A107 D125 W127 D185 Y187R104-C106 PolarHBondContact O-N 3.38Å; R104-A107 WeakPolarHBondContact O-CB 3.13Å; R104-A107 PolarHBondContact O-N 2.8Å; R104-A107 VanDerWaalsContact O-N 3.15Å; R104-D125 IonicContact CZ-OD1 3.9Å; R104-D125 PolarHBondContact N-O 3.36Å; R104-D125 IonicContact NE-OD1 3.82Å; R104-D125 IonicContact NH1-OD1 4Å; R104-D125 PolarHBondContact NH1-OD1 2.94Å; R104-W127 HydrophobicContact CG-CZ3 4.21Å; R104-D185 VanDerWaalsContact CD-OD2 3.32Å; R104-D185 WeakPolarHBondContact CD-OD2 3.08Å; R104-D185 IonicContact NE-OD2 2.74Å; R104-Y187 HydrophobicContact CG-CD1 4.16Å; R104-Y187 HydrophobicContact CG-CE1 3.76Å
105T92.8Very high93Very high83 Ų8351.7 Ų51.751%0.50927%0.265SS..THydrogen-bonded Turntrans-60.3-27172.1550000113.1L77 Y188L77-T105 HydrophobicContact CD1-CG2 3.55Å; L77-T105 HydrophobicContact CD2-CG2 4.42Å; T105-Y188 HydrophobicContact CG2-CD2 4.48Å; T105-Y188 HydrophobicContact CG2-CE2 3.96Å
106C92.3Very high93.2Very high61 Ų6154.9 Ų54.941%0.41227%0.268SS..THydrogen-bonded Turntrans-86.2-517859.90000114.6R104 K108 D125R104-C106 PolarHBondContact O-N 3.38Å; C106-K108 PolarHBondContact O-N 3.42Å; C106-D125 VanDerWaalsContact SG-CG 3.56Å; C106-D125 PolarHBondContact SG-OD1 3.35Å; C106-D125 VanDerWaalsContact SG-OD1 3.37Å
107A91.3Very high93.3Very high20 Ų2057.7 Ų57.717%0.16527%0.271CS..  trans-65.6115.9-177.500000111.1R104 L109 D125 M190R104-A107 WeakPolarHBondContact O-CB 3.13Å; R104-A107 PolarHBondContact O-N 2.8Å; R104-A107 VanDerWaalsContact O-N 3.15Å; A107-L109 HydrophobicContact CB-CG 4.38Å; A107-D125 HydrophobicContact CB-CB 4.08Å; A107-M190 HydrophobicContact CB-CE 4.37Å
108K88.3Confident93.3Very high148 Ų14858.8 Ų58.864%0.64328%0.28SS*.  trans-104.370.9-178.7-68.2-178.4-177.2179.60111.4C106C106-K108 PolarHBondContact O-N 3.42Å
109L88Confident93.2Very high7 Ų758.8 Ų58.84%0.03728%0.28CS..G310 helixtrans-83.4-14.3-173.7-56.8176.5000114V71 A107 H111 Y112 V119 L120 I122 M190V71-L109 HydrophobicContact CG1-CD1 4.08Å; V71-L109 HydrophobicContact CG2-CB 3.91Å; V71-L109 HydrophobicContact CG2-CD1 4.43Å; A107-L109 HydrophobicContact CB-CG 4.38Å; L109-H111 PolarHBondContact O-N 2.82Å; L109-Y112 PolarHBondContact O-N 2.96Å; L109-V119 HydrophobicContact CD2-CB 4.43Å; L109-L120 HydrophobicContact CD1-CD2 3.54Å; L109-I122 HydrophobicContact CD2-CG2 4.44Å; L109-M190 HydrophobicContact CD1-SD 3.8Å
110D86.2Confident93.2Very high94 Ų9458.8 Ų58.850%0.50328%0.28SS..G310 helixtrans-67.2-17.2-179.2-65-32.9000113.7Y112 S113D110-Y112 PolarHBondContact O-N 3.26Å; D110-S113 WeakPolarHBondContact O-CB 3.47Å; D110-S113 PolarHBondContact O-N 3.47Å; D110-S113 PolarHBondContact O-OG 3.38Å
111H87.5Confident93.1Very high144 Ų14458.8 Ų58.867%0.66728%0.28SS*.G310 helixtrans-61.6-24.1175.2-70.3-158.9000112L109 S113L109-H111 PolarHBondContact O-N 2.82Å; H111-S113 VanDerWaalsContact C-N 3.32Å
112Y88.4Confident93.1Very high54 Ų5460.7 Ų60.721%0.21229%0.289CS..G310 helixtrans-90.111.8177.4-56.7-71.1000113.7T69 L109 D110 R114 E115 V119 I122T69-Y112 PolarHBondContact N-O 2.96Å; L109-Y112 PolarHBondContact O-N 2.96Å; D110-Y112 PolarHBondContact O-N 3.26Å; Y112-R114 PolarHBondContact O-N 3.44Å; Y112-E115 PolarHBondContact O-N 3.46Å; Y112-V119 HydrophobicContact CD2-CB 4.26Å; Y112-V119 HydrophobicContact CD2-CG1 3.66Å; Y112-V119 HydrophobicContact CG-CG1 3.68Å; Y112-I122 HydrophobicContact CD1-CD1 4.39Å; Y112-I122 HydrophobicContact CE1-CD1 3.77Å; Y112-I122 HydrophobicContact CE2-CD1 4.19Å; Y112-I122 HydrophobicContact CE2-CG2 3.79Å
113S90Very high92.9Very high47 Ų4762.5 Ų62.533%0.32930%0.299SS..THydrogen-bonded Turntrans-59.5-19.4-178.952.70000114.8G68 T69 D110 H111G68-S113 WeakPolarHBondContact CA-O 3.47Å; T69-S113 WeakPolarHBondContact O-CA 3.28Å; D110-S113 WeakPolarHBondContact O-CB 3.47Å; D110-S113 PolarHBondContact O-N 3.47Å; D110-S113 PolarHBondContact O-OG 3.38Å; H111-S113 VanDerWaalsContact C-N 3.32Å
114R91Very high92.8Very high199 Ų19965.2 Ų65.275%0.75132%0.317SS*.THydrogen-bonded Turntrans-11210.8176.6-61.9-174.4178.9-165.8-2114.1W67 Y112W67-R114 CarbonylContact O-C 3.53Å; W67-R114 WeakPolarHBondContact O-CA 3.39Å; Y112-R114 PolarHBondContact O-N 3.44Å
115E92.9Very high92.8Very high78 Ų7864.7 Ų64.736%0.36432%0.318SS..SBendtrans-124.1140.6178.6-67-173.7-13300110G68 T69 Y112 R117G68-E115 CarbonylContact C-O 3.2Å; G68-E115 WeakPolarHBondContact CA-O 3.17Å; T69-E115 WeakPolarHBondContact CB-O 3.41Å; T69-E115 PolarHBondContact N-O 3.29Å; T69-E115 PolarHBondContact OG1-O 2.82Å; Y112-E115 PolarHBondContact O-N 3.46Å; E115-R117 HydrophobicContact CB-CG 4.29Å; E115-R117 PolarHBondContact O-N 2.95Å; E115-R117 IonicContact OE2-CZ 3.63Å; E115-R117 IonicContact OE2-NE 3.14Å; E115-R117 PolarHBondContact OE2-NE 2.9Å; E115-R117 IonicContact OE2-NH2 3.95Å; E115-R117 PolarHBondContact OE2-NH2 2.96Å
116F93.8Very high93Very high104 Ų10460.7 Ų60.746%0.45629%0.294SS..  trans-88.797.2173.9-57.4-74.3000109.3G68 T96 T194G68-F116 VanDerWaalsContact N-CE1 3.34Å; T96-F116 HydrophobicContact CG2-CB 4.46Å; F116-T194 HydrophobicContact CB-CG2 4.26Å; F116-T194 HydrophobicContact CD1-CG2 4.42Å
117R94.9Very high93.3Very high124 Ų12457.9 Ų57.947%0.46827%0.274SS..  trans-141.4156.9-178.4-65.6-160.6-169.9-143.45.4113.1T69 E115 V119 I122T69-R117 PolarHBondContact OG1-N 3.24Å; T69-R117 PolarHBondContact OG1-O 2.91Å; E115-R117 HydrophobicContact CB-CG 4.29Å; E115-R117 PolarHBondContact O-N 2.95Å; E115-R117 IonicContact OE2-CZ 3.63Å; E115-R117 IonicContact OE2-NE 3.14Å; E115-R117 PolarHBondContact OE2-NE 2.9Å; E115-R117 IonicContact OE2-NH2 3.95Å; E115-R117 PolarHBondContact OE2-NH2 2.96Å; R117-V119 HydrophobicContact CB-CG1 4.2Å; R117-V119 PolarHBondContact O-N 3.15Å; R117-V119 VanDerWaalsContact O-N 3.14Å; R117-I122 HydrophobicContact CB-CD1 4.4Å
118S96.1Very high93.7Very high26 Ų2657 Ų5718%0.18227%0.266CS..  trans-74.391164.4-56.90000109.6D97 M99 M136D97-S118 VanDerWaalsContact CB-OG 3.29Å; D97-S118 WeakPolarHBondContact CB-OG 3.33Å; D97-S118 VanDerWaalsContact CG-OG 3.3Å; D97-S118 WeakPolarHBondContact OD2-CB 3.38Å; D97-S118 PolarHBondContact OD2-OG 3.36Å; M99-S118 VanDerWaalsContact SD-CA 3.58Å; S118-M136 VanDerWaalsContact CB-SD 3.56Å
119V96Very high94.1Very high0 Ų049.9 Ų49.90%024%0.236CC..  trans-85.1-27.3-170.2-63.30000114.4T69 V71 L109 Y112 R117 G121 I122 S126T69-V119 HydrophobicContact CG2-CB 4.24Å; T69-V119 HydrophobicContact CG2-CG1 3.67Å; T69-V119 HydrophobicContact CG2-CG2 3.54Å; V71-V119 HydrophobicContact CG2-CG2 3.63Å; L109-V119 HydrophobicContact CD2-CB 4.43Å; Y112-V119 HydrophobicContact CD2-CB 4.26Å; Y112-V119 HydrophobicContact CD2-CG1 3.66Å; Y112-V119 HydrophobicContact CG-CG1 3.68Å; R117-V119 HydrophobicContact CB-CG1 4.2Å; R117-V119 PolarHBondContact O-N 3.15Å; R117-V119 VanDerWaalsContact O-N 3.14Å; V119-G121 PolarHBondContact O-N 3.33Å; V119-I122 WeakPolarHBondContact O-CG2 3.31Å; V119-I122 PolarHBondContact O-N 2.9Å; V119-S126 PolarHBondContact O-OG 3.1Å
120L97.5Very high94.6Very high0 Ų049.8 Ų49.80%024%0.235CC..THydrogen-bonded Turntrans-77.6106.5176.9-64.9-176.7000109.5M99 L109 M190M99-L120 HydrophobicContact CB-CB 4.18Å; M99-L120 HydrophobicContact CB-CD1 3.93Å; M99-L120 HydrophobicContact CB-CG 4.3Å; M99-L120 HydrophobicContact CE-CB 4.18Å; M99-L120 WeakPolarHBondContact CE-O 3.34Å; M99-L120 HydrophobicContact SD-CB 3.95Å; L109-L120 HydrophobicContact CD1-CD2 3.54Å; L120-M190 HydrophobicContact CD1-CB 4.21Å; L120-M190 HydrophobicContact CD2-CB 3.87Å; L120-M190 HydrophobicContact CD2-SD 4.08Å
121G97.1Very high95.1Very high0 Ų047 Ų470%022%0.218CC..THydrogen-bonded Turntrans94.312.2-172.700000114.9V119 D123 S126 M136 H137 D138 G139V119-G121 PolarHBondContact O-N 3.33Å; G121-D123 PolarHBondContact O-N 2.88Å; G121-S126 VanDerWaalsContact CA-O 3.31Å; G121-S126 WeakPolarHBondContact CA-O 3.47Å; G121-S126 PolarHBondContact N-OG 2.94Å; G121-M136 WeakPolarHBondContact CA-O 3.31Å; G121-H137 CarbonylContact O-C 3.6Å; G121-H137 WeakPolarHBondContact O-CA 3.13Å; G121-H137 PolarHBondContact O-N 2.67Å; G121-D138 PolarHBondContact O-N 3.45Å; G121-D138 VanDerWaalsContact O-N 3.11Å; G121-G139 PolarHBondContact O-N 3.48Å
122I96.4Very high95.6Very high39 Ų3945.9 Ų45.920%0.221%0.208CC..SBendtrans-67.2-26.7171.3-162.5161.7000112.3L109 Y112 R117 V119 G139L109-I122 HydrophobicContact CD2-CG2 4.44Å; Y112-I122 HydrophobicContact CD1-CD1 4.39Å; Y112-I122 HydrophobicContact CE1-CD1 3.77Å; Y112-I122 HydrophobicContact CE2-CD1 4.19Å; Y112-I122 HydrophobicContact CE2-CG2 3.79Å; R117-I122 HydrophobicContact CB-CD1 4.4Å; V119-I122 WeakPolarHBondContact O-CG2 3.31Å; V119-I122 PolarHBondContact O-N 2.9Å; I122-G139 PolarHBondContact O-N 2.89Å
123D95.4Very high95.9Very high38 Ų3843.3 Ų43.320%0.20320%0.198CC..SBendtrans-132.2-177.7179.759.925.4000110.8G121 D125 S126 D138G121-D123 PolarHBondContact O-N 2.88Å; D123-D125 PolarHBondContact O-N 3.15Å; D123-D125 PolarHBondContact OD1-N 2.99Å; D123-S126 PolarHBondContact OD1-N 3.16Å; D123-S126 PolarHBondContact OD1-OG 3.31Å; D123-S126 VanDerWaalsContact OD1-OG 3.08Å; D123-D138 WeakPolarHBondContact O-CA 3.37Å; D123-D138 PolarHBondContact O-N 3.41Å
124C95.8Very high96.3Very high57 Ų5741.7 Ų41.739%0.38519%0.188SC..THydrogen-bonded Turntrans-79.91.717970.20000114.6W127 D138C124-W127 VanDerWaalsContact O-CH2 3.3Å; C124-W127 WeakPolarHBondContact O-CH2 3.21Å; C124-D138 HydrophobicContact CB-CB 4.44Å; C124-D138 PolarHBondContact N-OD1 3.45Å
125D97Very high96.6Very high35 Ų3532.5 Ų32.519%0.18715%0.154CC..THydrogen-bonded Turntrans-102.5-4.8-176.6-73.9-33.4000113G103 R104 C106 A107 D123G103-D125 CarbonylContact C-O 3.54Å; G103-D125 WeakPolarHBondContact CA-O 3.3Å; R104-D125 IonicContact CZ-OD1 3.9Å; R104-D125 PolarHBondContact N-O 3.36Å; R104-D125 IonicContact NE-OD1 3.82Å; R104-D125 IonicContact NH1-OD1 4Å; R104-D125 PolarHBondContact NH1-OD1 2.94Å; C106-D125 VanDerWaalsContact SG-CG 3.56Å; C106-D125 PolarHBondContact SG-OD1 3.35Å; C106-D125 VanDerWaalsContact SG-OD1 3.37Å; A107-D125 HydrophobicContact CB-CB 4.08Å; D123-D125 PolarHBondContact O-N 3.15Å; D123-D125 PolarHBondContact OD1-N 2.99Å
126S98Very high96.8Very high0 Ų029.8 Ų29.80%014%0.141CC..EExtended strand (participates in β ladder)trans-139.8158179.258.50000112.9I102 V119 G121 D123 H137I102-S126 WeakPolarHBondContact O-CA 3.37Å; V119-S126 PolarHBondContact O-OG 3.1Å; G121-S126 VanDerWaalsContact CA-O 3.31Å; G121-S126 WeakPolarHBondContact CA-O 3.47Å; G121-S126 PolarHBondContact N-OG 2.94Å; D123-S126 PolarHBondContact OD1-N 3.16Å; D123-S126 PolarHBondContact OD1-OG 3.31Å; D123-S126 VanDerWaalsContact OD1-OG 3.08Å; S126-H137 PolarHBondContact O-ND1 2.94Å
127W98.3Very high97Very high2 Ų227.3 Ų27.31%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-138.6132.9179.1-67.2-98.6000108.3G101 I102 R104 C124 H137 L166 F180 L182 P183 Y187G101-W127 CarbonylContact C-O 3.47Å; G101-W127 WeakPolarHBondContact CA-O 3.38Å; I102-W127 HydrophobicContact CD1-CE3 4.31Å; I102-W127 HydrophobicContact CG1-CB 4.13Å; I102-W127 HydrophobicContact CG1-CE3 4.01Å; I102-W127 PolarHBondContact N-O 3.37Å; I102-W127 PolarHBondContact O-N 3.38Å; R104-W127 HydrophobicContact CG-CZ3 4.21Å; C124-W127 VanDerWaalsContact O-CH2 3.3Å; C124-W127 WeakPolarHBondContact O-CH2 3.21Å; W127-H137 AromaticContact CD1-CE1 3.99Å; W127-H137 AromaticContact CD1-CG 3.42Å; W127-H137 VanDerWaalsContact CD1-CG 3.42Å; W127-H137 AromaticContact CD1-ND1 3.42Å; W127-H137 AromaticContact CD2-CE1 3.95Å; W127-H137 AromaticContact CD2-ND1 3.72Å; W127-H137 AromaticContact CE2-CE1 3.14Å; W127-H137 AromaticContact CE2-CG 3.93Å; W127-H137 AromaticContact CE2-ND1 3.3Å; W127-H137 VanDerWaalsContact CE2-ND1 3.3Å; W127-H137 AromaticContact CE2-NE2 3.68Å; W127-H137 HydrophobicContact CG-CB 4.43Å; W127-H137 AromaticContact CG-ND1 3.81Å; W127-H137 AromaticContact CH2-CE1 3.88Å; W127-H137 AromaticContact CZ2-CE1 3.13Å; W127-H137 WeakPolarHBondContact CZ2-CE1 3.3Å; W127-H137 AromaticContact CZ2-ND1 3.78Å; W127-H137 AromaticContact CZ2-NE2 3.65Å; W127-H137 AromaticContact NE1-CD2 3.45Å; W127-H137 PolarHBondContact NE1-CD2 2.87Å; W127-H137 AromaticContact NE1-CE1 3.22Å; W127-H137 PolarHBondContact NE1-CE1 2.91Å; W127-H137 AromaticContact NE1-CG 3.26Å; W127-H137 VanDerWaalsContact NE1-CG 3.26Å; W127-H137 AromaticContact NE1-ND1 3.12Å; W127-H137 PolarHBondContact NE1-ND1 2.61Å; W127-H137 VanDerWaalsContact NE1-ND1 3.12Å; W127-H137 AromaticContact NE1-NE2 3.39Å; W127-H137 PolarHBondContact NE1-NE2 2.94Å; W127-L166 HydrophobicContact CB-CD2 4.42Å; W127-F180 HydrophobicContact CB-CD2 3.81Å; W127-F180 HydrophobicContact CB-CE2 3.8Å; W127-F180 HydrophobicContact CB-CG 4.39Å; W127-F180 HydrophobicContact CB-CZ 4.4Å; W127-F180 AromaticContact CD1-CD1 3.63Å; W127-F180 AromaticContact CD1-CD2 3.77Å; W127-F180 AromaticContact CD1-CG 3.46Å; W127-F180 VanDerWaalsContact CD1-CG 3.46Å; W127-F180 HydrophobicContact CG-CD2 4.13Å; W127-F180 HydrophobicContact CG-CE2 4.41Å; W127-F180 HydrophobicContact CG-CG 4.23Å; W127-L182 HydrophobicContact CD2-CD2 3.62Å; W127-L182 HydrophobicContact CE3-CD2 4.24Å; W127-L182 HydrophobicContact CG-CD2 3.88Å; W127-L182 HydrophobicContact CZ2-CD2 4.07Å; W127-P183 HydrophobicContact CH2-CG 4.18Å; W127-P183 HydrophobicContact CZ2-CG 4.19Å; W127-Y187 HydrophobicContact CE3-CE1 4.05Å; W127-Y187 HydrophobicContact CH2-CE1 4.02Å; W127-Y187 HydrophobicContact CZ3-CD1 4.26Å; W127-Y187 AromaticContact CZ3-CE1 3.51Å; W127-Y187 HydrophobicContact CZ3-CE1 3.51Å
128G98Very high97.1Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-139149.9-174.900000114.1L135 M136G128-L135 CarbonylContact O-C 3.49Å; G128-L135 WeakPolarHBondContact O-CA 3.23Å; G128-M136 PolarHBondContact N-O 3.36Å; G128-M136 PolarHBondContact O-N 2.96Å
129L98Very high97.1Very high0 Ų026.7 Ų26.70%015%0.145CC..EExtended strand (participates in β ladder)trans-108115.8161.6175.868.7000108.2M99 V100 A134 L135 C147 F149 F168 V170M99-L129 VanDerWaalsContact CA-O 3.28Å; M99-L129 WeakPolarHBondContact CA-O 3.48Å; V100-L129 PolarHBondContact N-O 2.77Å; V100-L129 PolarHBondContact O-N 3.17Å; L129-A134 WeakPolarHBondContact CA-O 3.46Å; L129-L135 HydrophobicContact CB-CD2 4.18Å; L129-L135 HydrophobicContact CD1-CD2 3.83Å; L129-C147 HydrophobicContact CD1-CB 4.03Å; L129-C147 HydrophobicContact CD2-CB 4.46Å; L129-F149 HydrophobicContact CD2-CD1 4.21Å; L129-F149 HydrophobicContact CD2-CE1 4.03Å; L129-F149 HydrophobicContact CG-CE1 4.05Å; L129-F168 HydrophobicContact CB-CD1 3.76Å; L129-F168 HydrophobicContact CB-CD2 4.18Å; L129-F168 HydrophobicContact CB-CE1 3.69Å; L129-F168 HydrophobicContact CB-CE2 4.11Å; L129-F168 HydrophobicContact CB-CG 4Å; L129-F168 HydrophobicContact CB-CZ 3.86Å; L129-F168 HydrophobicContact CD2-CB 3.77Å; L129-F168 HydrophobicContact CD2-CD1 3.84Å; L129-F168 HydrophobicContact CD2-CG 3.83Å; L129-F168 HydrophobicContact CG-CD1 4.45Å; L129-F168 HydrophobicContact CG-CG 4.47Å; L129-V170 HydrophobicContact CD2-CG2 4.4Å
130S97.8Very high97.1Very high4 Ų433.6 Ų33.63%0.02818%0.177CC..EExtended strand (participates in β ladder)trans-69148.1170.9170.70000111.1D97 V98 R132 G133 A134D97-S130 WeakPolarHBondContact OD1-CB 3.18Å; D97-S130 PolarHBondContact OD1-OG 3.42Å; D97-S130 WeakPolarHBondContact OD2-CB 3.12Å; D97-S130 PolarHBondContact OD2-OG 3.21Å; V98-S130 CarbonylContact O-C 3.41Å; S130-R132 PolarHBondContact O-N 2.95Å; S130-R132 VanDerWaalsContact O-N 3.1Å; S130-R132 PolarHBondContact OG-N 3.34Å; S130-R132 VanDerWaalsContact OG-N 3.17Å; S130-G133 WeakPolarHBondContact O-CA 3.44Å; S130-G133 PolarHBondContact O-N 3.29Å; S130-A134 PolarHBondContact N-O 3.28Å
131Y97.4Very high97.1Very high36 Ų3637.3 Ų37.314%0.14120%0.2CC..THydrogen-bonded Turntrans-58.4-21172.185.3-76.6000113.4L93 D97 V98 G133 A148 F149L93-Y131 HydrophobicContact CB-CD2 3.88Å; L93-Y131 HydrophobicContact CB-CE2 4.39Å; L93-Y131 HydrophobicContact CB-CG 4.25Å; D97-Y131 WeakPolarHBondContact OD1-CD1 3.42Å; V98-Y131 HydrophobicContact CB-CD1 4.01Å; V98-Y131 HydrophobicContact CB-CG 4.32Å; V98-Y131 HydrophobicContact CG2-CD1 4.39Å; V98-Y131 WeakPolarHBondContact O-CB 3.31Å; V98-Y131 PolarHBondContact O-N 3.46Å; Y131-G133 PolarHBondContact O-N 3.35Å; Y131-A148 CarbonylContact O-C 3.59Å; Y131-A148 VanDerWaalsContact O-CA 3.3Å; Y131-A148 WeakPolarHBondContact O-CA 3.44Å; Y131-A148 WeakPolarHBondContact O-CB 3.43Å; Y131-F149 VanDerWaalsContact CA-CE1 3.42Å; Y131-F149 VanDerWaalsContact CB-CE2 3.45Å; Y131-F149 PolarHBondContact O-N 3.08Å
132R96.8Very high97Very high120 Ų12041.9 Ų41.945%0.45322%0.218SC..THydrogen-bonded Turntrans-75.2-1.6171.4-60-169-176.284.6-2.1113.7G95 T96 D97 S130G95-R132 PolarHBondContact O-NH2 3.23Å; T96-R132 VanDerWaalsContact O-CZ 3.27Å; T96-R132 PolarHBondContact O-NH1 3.5Å; T96-R132 PolarHBondContact O-NH2 3.15Å; D97-R132 IonicContact OD1-NH1 3.96Å; S130-R132 PolarHBondContact O-N 2.95Å; S130-R132 VanDerWaalsContact O-N 3.1Å; S130-R132 PolarHBondContact OG-N 3.34Å; S130-R132 VanDerWaalsContact OG-N 3.17Å
133G96.3Very high96.9Very high1 Ų144.8 Ų44.81%0.0124%0.24CC..SBendtrans77.438-177.700000112.4S130 Y131 L144 C147S130-G133 WeakPolarHBondContact O-CA 3.44Å; S130-G133 PolarHBondContact O-N 3.29Å; Y131-G133 PolarHBondContact O-N 3.35Å; G133-L144 CarbonylContact O-C 3.47Å; G133-L144 WeakPolarHBondContact O-CA 3.41Å; G133-L144 WeakPolarHBondContact O-CB 3.33Å; G133-L144 PolarHBondContact O-N 2.69Å; G133-C147 VanDerWaalsContact CA-C 3.47Å
134A96.9Very high96.7Very high13 Ų1343.7 Ų43.711%0.10723%0.234CC..EExtended strand (participates in β ladder)trans-114.4132.9173.900000110.2L129 S130 T141 Y142L129-A134 WeakPolarHBondContact CA-O 3.46Å; S130-A134 PolarHBondContact N-O 3.28Å; A134-T141 HydrophobicContact CB-CG2 3.74Å; A134-Y142 WeakPolarHBondContact CA-O 3.42Å
135L97.6Very high96.2Very high6 Ų643.7 Ų43.73%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-80.7136.6169.1-72.4-173.3000109.5G128 L129 T141 Y142 L144 F168 F180G128-L135 CarbonylContact O-C 3.49Å; G128-L135 WeakPolarHBondContact O-CA 3.23Å; L129-L135 HydrophobicContact CB-CD2 4.18Å; L129-L135 HydrophobicContact CD1-CD2 3.83Å; L135-T141 CarbonylContact O-C 3.55Å; L135-T141 WeakPolarHBondContact O-CA 3.44Å; L135-Y142 PolarHBondContact N-O 3Å; L135-Y142 PolarHBondContact O-N 3.04Å; L135-L144 HydrophobicContact CD1-CD1 3.87Å; L135-L144 HydrophobicContact CG-CD1 3.99Å; L135-F168 HydrophobicContact CD2-CD2 3.72Å; L135-F168 HydrophobicContact CD2-CE2 3.74Å; L135-F180 HydrophobicContact CB-CE1 3.97Å; L135-F180 HydrophobicContact CB-CE2 4.31Å; L135-F180 HydrophobicContact CB-CZ 3.55Å; L135-F180 HydrophobicContact CD1-CE1 4.21Å; L135-F180 HydrophobicContact CD1-CE2 4.44Å; L135-F180 HydrophobicContact CD1-CZ 4.14Å; L135-F180 HydrophobicContact CD2-CD2 4.47Å; L135-F180 HydrophobicContact CD2-CE2 3.7Å; L135-F180 HydrophobicContact CD2-CZ 3.86Å; L135-F180 HydrophobicContact CG-CE2 4.36Å; L135-F180 HydrophobicContact CG-CZ 4.05Å
136M97.8Very high95.8Very high21 Ų2146 Ų4610%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-131.2135177.9-64.7-175.666.800112M99 S118 G121 G128 Q140 T141 F180M99-M136 HydrophobicContact CE-CB 3.92Å; M99-M136 HydrophobicContact CE-CG 4.04Å; M99-M136 HydrophobicContact CE-SD 3.57Å; M99-M136 VanDerWaalsContact CE-SD 3.57Å; S118-M136 VanDerWaalsContact CB-SD 3.56Å; G121-M136 WeakPolarHBondContact CA-O 3.31Å; G128-M136 PolarHBondContact N-O 3.36Å; G128-M136 PolarHBondContact O-N 2.96Å; M136-Q140 VanDerWaalsContact CA-O 3.28Å; M136-Q140 WeakPolarHBondContact CA-O 3.41Å; M136-T141 HydrophobicContact CG-CG2 4.05Å; M136-T141 HydrophobicContact SD-CG2 4.47Å; M136-F180 WeakPolarHBondContact O-CZ 3.37Å
137H97.7Very high95.5Very high51 Ų5146.2 Ų46.224%0.23626%0.264CS..EExtended strand (participates in β ladder)trans-162141.1173.2178.356.5000110.4G121 S126 W127 G139 Q140 F180G121-H137 CarbonylContact O-C 3.6Å; G121-H137 WeakPolarHBondContact O-CA 3.13Å; G121-H137 PolarHBondContact O-N 2.67Å; S126-H137 PolarHBondContact O-ND1 2.94Å; W127-H137 AromaticContact CD1-CE1 3.99Å; W127-H137 AromaticContact CD1-CG 3.42Å; W127-H137 VanDerWaalsContact CD1-CG 3.42Å; W127-H137 AromaticContact CD1-ND1 3.42Å; W127-H137 AromaticContact CD2-CE1 3.95Å; W127-H137 AromaticContact CD2-ND1 3.72Å; W127-H137 AromaticContact CE2-CE1 3.14Å; W127-H137 AromaticContact CE2-CG 3.93Å; W127-H137 AromaticContact CE2-ND1 3.3Å; W127-H137 VanDerWaalsContact CE2-ND1 3.3Å; W127-H137 AromaticContact CE2-NE2 3.68Å; W127-H137 HydrophobicContact CG-CB 4.43Å; W127-H137 AromaticContact CG-ND1 3.81Å; W127-H137 AromaticContact CH2-CE1 3.88Å; W127-H137 AromaticContact CZ2-CE1 3.13Å; W127-H137 WeakPolarHBondContact CZ2-CE1 3.3Å; W127-H137 AromaticContact CZ2-ND1 3.78Å; W127-H137 AromaticContact CZ2-NE2 3.65Å; W127-H137 AromaticContact NE1-CD2 3.45Å; W127-H137 PolarHBondContact NE1-CD2 2.87Å; W127-H137 AromaticContact NE1-CE1 3.22Å; W127-H137 PolarHBondContact NE1-CE1 2.91Å; W127-H137 AromaticContact NE1-CG 3.26Å; W127-H137 VanDerWaalsContact NE1-CG 3.26Å; W127-H137 AromaticContact NE1-ND1 3.12Å; W127-H137 PolarHBondContact NE1-ND1 2.61Å; W127-H137 VanDerWaalsContact NE1-ND1 3.12Å; W127-H137 AromaticContact NE1-NE2 3.39Å; W127-H137 PolarHBondContact NE1-NE2 2.94Å; H137-G139 PolarHBondContact O-N 3.17Å; H137-Q140 PolarHBondContact N-O 3.11Å; H137-Q140 VanDerWaalsContact N-O 3.15Å; H137-Q140 WeakPolarHBondContact O-CB 3.25Å; H137-Q140 PolarHBondContact O-N 2.83Å; H137-F180 HydrophobicContact CB-CD1 4.43Å; H137-F180 HydrophobicContact CB-CE1 3.86Å; H137-F180 HydrophobicContact CB-CZ 4.32Å
138D96.9Very high95.4Very high94 Ų9448.2 Ų48.250%0.50328%0.281SS..THydrogen-bonded Turntrans51.539.3177.4-158.234.9000113.4G121 D123 C124 Q140G121-D138 PolarHBondContact O-N 3.45Å; G121-D138 VanDerWaalsContact O-N 3.11Å; D123-D138 WeakPolarHBondContact O-CA 3.37Å; D123-D138 PolarHBondContact O-N 3.41Å; C124-D138 HydrophobicContact CB-CB 4.44Å; C124-D138 PolarHBondContact N-OD1 3.45Å; D138-Q140 PolarHBondContact O-N 3.09Å; D138-Q140 VanDerWaalsContact O-N 3.11Å
139G95.8Very high95.3Very high44 Ų4448.5 Ų48.545%0.45428%0.282SS..THydrogen-bonded Turntrans72.9-4.2-178.100000114.8G121 I122 H137G121-G139 PolarHBondContact O-N 3.48Å; I122-G139 PolarHBondContact O-N 2.89Å; H137-G139 PolarHBondContact O-N 3.17Å
140Q96.7Very high95.1Very high144 Ų14454.5 Ų54.567%0.67331%0.308SS*.EExtended strand (participates in β ladder)trans-87.7141.3178-58.3-57.2-39.200110.9M136 H137 D138M136-Q140 VanDerWaalsContact CA-O 3.28Å; M136-Q140 WeakPolarHBondContact CA-O 3.41Å; H137-Q140 PolarHBondContact N-O 3.11Å; H137-Q140 VanDerWaalsContact N-O 3.15Å; H137-Q140 WeakPolarHBondContact O-CB 3.25Å; H137-Q140 PolarHBondContact O-N 2.83Å; D138-Q140 PolarHBondContact O-N 3.09Å; D138-Q140 VanDerWaalsContact O-N 3.11Å
141T96.7Very high94.9Very high78 Ų7854.9 Ų54.948%0.47931%0.309SS..EExtended strand (participates in β ladder)trans-119.1128.9178.6-56.60000110.1A134 L135 M136A134-T141 HydrophobicContact CB-CG2 3.74Å; L135-T141 CarbonylContact O-C 3.55Å; L135-T141 WeakPolarHBondContact O-CA 3.44Å; M136-T141 HydrophobicContact CG-CG2 4.05Å; M136-T141 HydrophobicContact SD-CG2 4.47Å
142Y95.5Very high94.6Very high96 Ų9653.3 Ų53.338%0.37630%0.304SS..EExtended strand (participates in β ladder)trans-120.3103.8177.8-176.3-113.5000110.7A134 L135 L144A134-Y142 WeakPolarHBondContact CA-O 3.42Å; L135-Y142 PolarHBondContact N-O 3Å; L135-Y142 PolarHBondContact O-N 3.04Å; Y142-L144 HydrophobicContact CD1-CD1 3.83Å; Y142-L144 HydrophobicContact CD1-CD2 4.14Å; Y142-L144 HydrophobicContact CD1-CG 3.65Å; Y142-L144 HydrophobicContact CE1-CD1 3.79Å; Y142-L144 HydrophobicContact CE1-CD2 3.47Å; Y142-L144 VanDerWaalsContact CE1-CD2 3.47Å; Y142-L144 HydrophobicContact CE1-CG 3.52Å; Y142-L144 PolarHBondContact O-N 3.38Å
143P94.9Very high94.5Very high101 Ų10147.8 Ų47.866%0.65628%0.284SS*.EExtended strand (participates in β ladder)trans-68.4124.3-178.8-20.433.1000112.7
144L90.9Very high94.3Very high14 Ų1448 Ų487%0.07329%0.285CS..  trans-134.467.3176-74.5178.1000109.5G133 L135 Y142 S146 C147 N177 A178G133-L144 CarbonylContact O-C 3.47Å; G133-L144 WeakPolarHBondContact O-CA 3.41Å; G133-L144 WeakPolarHBondContact O-CB 3.33Å; G133-L144 PolarHBondContact O-N 2.69Å; L135-L144 HydrophobicContact CD1-CD1 3.87Å; L135-L144 HydrophobicContact CG-CD1 3.99Å; Y142-L144 HydrophobicContact CD1-CD1 3.83Å; Y142-L144 HydrophobicContact CD1-CD2 4.14Å; Y142-L144 HydrophobicContact CD1-CG 3.65Å; Y142-L144 HydrophobicContact CE1-CD1 3.79Å; Y142-L144 HydrophobicContact CE1-CD2 3.47Å; Y142-L144 VanDerWaalsContact CE1-CD2 3.47Å; Y142-L144 HydrophobicContact CE1-CG 3.52Å; Y142-L144 PolarHBondContact O-N 3.38Å; L144-S146 PolarHBondContact O-N 3.36Å; L144-C147 HydrophobicContact CB-CB 4.48Å; L144-C147 WeakPolarHBondContact O-CB 3.24Å; L144-C147 PolarHBondContact O-N 3.04Å; L144-N177 HydrophobicContact CD1-CB 4.14Å; L144-N177 VanDerWaalsContact CD1-O 3.3Å; L144-N177 WeakPolarHBondContact CD1-O 3.34Å; L144-N177 HydrophobicContact CD2-CB 3.92Å; L144-A178 HydrophobicContact CD1-CB 4.07Å
145G85.5Confident94.3Very high57 Ų5747.4 Ų47.459%0.58828%0.279SS*.G310 helixtrans-51.3-25.1-171.400000115.6C147 A148G145-C147 PolarHBondContact O-N 3.1Å; G145-C147 VanDerWaalsContact O-N 3.16Å; G145-A148 VanDerWaalsContact O-CB 3.29Å; G145-A148 WeakPolarHBondContact O-CB 3.16Å; G145-A148 PolarHBondContact O-N 3.34Å; G145-A148 VanDerWaalsContact O-N 3.1Å
146S88.4Confident94.1Very high84 Ų8447.2 Ų47.259%0.58728%0.279SS*.G310 helixtrans-59.4-19.917158.60000114.9L144 N175L144-S146 PolarHBondContact O-N 3.36Å; S146-N175 PolarHBondContact OG-ND2 3.31Å
147C91.5Very high93.9Very high5 Ų546.2 Ų46.23%0.03427%0.274CS..G310 helixtrans-102.711.5179.9-62.70000112.2L129 G133 L144 G145 V170 N175 A178L129-C147 HydrophobicContact CD1-CB 4.03Å; L129-C147 HydrophobicContact CD2-CB 4.46Å; G133-C147 VanDerWaalsContact CA-C 3.47Å; L144-C147 HydrophobicContact CB-CB 4.48Å; L144-C147 WeakPolarHBondContact O-CB 3.24Å; L144-C147 PolarHBondContact O-N 3.04Å; G145-C147 PolarHBondContact O-N 3.1Å; G145-C147 VanDerWaalsContact O-N 3.16Å; C147-V170 HydrophobicContact CB-CG2 4.49Å; C147-N175 WeakPolarHBondContact SG-CB 3.25Å; C147-A178 VanDerWaalsContact SG-CB 3.56Å
148A96.1Very high93.7Very high44 Ų4444 Ų4436%0.36426%0.264SS..  trans-64.6143.6170.400000110.1Y131 G145Y131-A148 CarbonylContact O-C 3.59Å; Y131-A148 VanDerWaalsContact O-CA 3.3Å; Y131-A148 WeakPolarHBondContact O-CA 3.44Å; Y131-A148 WeakPolarHBondContact O-CB 3.43Å; G145-A148 VanDerWaalsContact O-CB 3.29Å; G145-A148 WeakPolarHBondContact O-CB 3.16Å; G145-A148 PolarHBondContact O-N 3.34Å; G145-A148 VanDerWaalsContact O-N 3.1Å
149F95.8Very high93.5Very high6 Ų639.6 Ų39.63%0.02624%0.24CC..  trans-137.5153.7-178.861.1-98.8000110.9L93 V100 L129 Y131 I155 V170 F200L93-F149 HydrophobicContact CD1-CD2 3.54Å; L93-F149 HydrophobicContact CD1-CE2 3.52Å; V100-F149 HydrophobicContact CG2-CZ 3.96Å; L129-F149 HydrophobicContact CD2-CD1 4.21Å; L129-F149 HydrophobicContact CD2-CE1 4.03Å; L129-F149 HydrophobicContact CG-CE1 4.05Å; Y131-F149 VanDerWaalsContact CA-CE1 3.42Å; Y131-F149 VanDerWaalsContact CB-CE2 3.45Å; Y131-F149 PolarHBondContact O-N 3.08Å; F149-I155 HydrophobicContact CB-CD1 4.24Å; F149-I155 HydrophobicContact CB-CG1 4.07Å; F149-I155 HydrophobicContact CD1-CG1 3.79Å; F149-I155 HydrophobicContact CD2-CD1 3.67Å; F149-I155 HydrophobicContact CD2-CG1 3.79Å; F149-I155 HydrophobicContact CE1-CG1 4.11Å; F149-I155 HydrophobicContact CE2-CD1 4.12Å; F149-I155 HydrophobicContact CE2-CG1 4.13Å; F149-I155 HydrophobicContact CG-CD1 3.92Å; F149-I155 HydrophobicContact CG-CG1 3.62Å; F149-I155 HydrophobicContact CZ-CG1 4.28Å; F149-V170 HydrophobicContact CB-CG1 3.89Å; F149-V170 HydrophobicContact CB-CG2 4.37Å; F149-V170 HydrophobicContact CD1-CG2 4.42Å; F149-F200 HydrophobicContact CE2-CE1 4.01Å; F149-F200 AromaticContact CE2-CZ 3.89Å; F149-F200 HydrophobicContact CE2-CZ 3.89Å; F149-F200 HydrophobicContact CZ-CZ 4.5Å
150K94.4Very high93.2Very high125 Ų12537.8 Ų37.854%0.54322%0.22SC..  trans-142.7-177.8-174.862-178178.3179.40110.8A89 G152 S153A89-K150 VanDerWaalsContact CB-O 3.29Å; A89-K150 WeakPolarHBondContact CB-O 3.45Å; K150-G152 PolarHBondContact O-N 3.14Å; K150-S153 PolarHBondContact N-OG 3.01Å; K150-S153 WeakPolarHBondContact O-CB 3.39Å; K150-S153 PolarHBondContact O-N 3.39Å; K150-S153 PolarHBondContact O-OG 3.45Å
151K93.1Very high93Very high13 Ų1331.8 Ų31.86%0.05719%0.193CC..THydrogen-bonded Turntrans-46.6127.4171.9-172.5-177.8-173-179.50111.2F17 Q18 D19 S21 L24 S91 P92 S153F17-K151 HydrophobicContact CE2-CD 4.21Å; F17-K151 HydrophobicContact CE2-CG 4.44Å; F17-K151 HydrophobicContact CZ-CD 3.91Å; F17-K151 HydrophobicContact CZ-CG 4.31Å; Q18-K151 PolarHBondContact O-NZ 2.91Å; D19-K151 PolarHBondContact O-NZ 3.38Å; S21-K151 PolarHBondContact O-NZ 3.02Å; S21-K151 PolarHBondContact OG-NZ 3.45Å; L24-K151 HydrophobicContact CD1-CG 3.85Å; L24-K151 HydrophobicContact CD2-CD 4.47Å; L24-K151 HydrophobicContact CD2-CG 4.41Å; L24-K151 HydrophobicContact CG-CD 4.42Å; L24-K151 HydrophobicContact CG-CG 3.97Å; S91-K151 WeakPolarHBondContact O-CA 3.27Å; S91-K151 VanDerWaalsContact O-CB 3.23Å; S91-K151 WeakPolarHBondContact O-CB 3.18Å; S91-K151 WeakPolarHBondContact O-CG 3.3Å; P92-K151 HydrophobicContact CG-CD 4.02Å; K151-S153 VanDerWaalsContact C-N 3.32Å
152G92.1Very high92.6Very high2 Ų230.5 Ų30.52%0.02118%0.179CC..THydrogen-bonded Turntrans90.6-16.3-178.300000114.6L24 A89 K150L24-G152 VanDerWaalsContact CD1-CA 3.42Å; A89-G152 PolarHBondContact O-N 3.16Å; K150-G152 PolarHBondContact O-N 3.14Å
153S93.6Very high92Very high5 Ų528.8 Ų28.84%0.03517%0.174CC..  trans-68.3150.6176.2-63.90000112.1A89 K150 K151 D171A89-S153 PolarHBondContact N-O 3.05Å; K150-S153 PolarHBondContact N-OG 3.01Å; K150-S153 WeakPolarHBondContact O-CB 3.39Å; K150-S153 PolarHBondContact O-N 3.39Å; K150-S153 PolarHBondContact O-OG 3.45Å; K151-S153 VanDerWaalsContact C-N 3.32Å; S153-D171 WeakPolarHBondContact CA-OD1 3.38Å
154I93.7Very high92Very high6 Ų624.7 Ų24.73%0.03115%0.148CC..EExtended strand (participates in β ladder)trans-110.7119.2172.3-60.8178.2000108.8V4 N29 E86 L87 K88 V170 D171 I203V4-I154 HydrophobicContact CG1-CD1 3.82Å; V4-I154 HydrophobicContact CG1-CG1 4.36Å; V4-I154 HydrophobicContact CG2-CB 4.43Å; V4-I154 HydrophobicContact CG2-CD1 4.06Å; N29-I154 HydrophobicContact CB-CD1 3.55Å; E86-I154 HydrophobicContact CB-CG2 4.05Å; E86-I154 HydrophobicContact CG-CG2 4.4Å; L87-I154 CarbonylContact O-C 3.37Å; L87-I154 WeakPolarHBondContact O-CA 3.43Å; K88-I154 HydrophobicContact CG-CG1 4.35Å; I154-V170 WeakPolarHBondContact O-CA 3.44Å; I154-D171 PolarHBondContact N-OD1 3.49Å; I154-D171 PolarHBondContact O-N 2.78Å; I154-I203 HydrophobicContact CD1-CD1 3.95Å; I154-I203 HydrophobicContact CG1-CD1 4.29Å; I154-I203 HydrophobicContact CG2-CD1 3.93Å
155I95.2Very high92Very high0 Ų026.6 Ų26.60%016%0.156CC..EExtended strand (participates in β ladder)trans-100.5112178.5-52.476.5000107.5E86 L87 A89 V100 F149 F169 F200E86-I155 CarbonylContact C-O 3.57Å; E86-I155 WeakPolarHBondContact CA-O 3.43Å; L87-I155 PolarHBondContact N-O 2.81Å; L87-I155 PolarHBondContact O-N 3.31Å; A89-I155 HydrophobicContact CB-CD1 4.25Å; V100-I155 HydrophobicContact CB-CG2 4.23Å; V100-I155 HydrophobicContact CG1-CG2 4.17Å; V100-I155 HydrophobicContact CG2-CB 4.43Å; V100-I155 HydrophobicContact CG2-CG1 4.41Å; V100-I155 HydrophobicContact CG2-CG2 4.19Å; F149-I155 HydrophobicContact CB-CD1 4.24Å; F149-I155 HydrophobicContact CB-CG1 4.07Å; F149-I155 HydrophobicContact CD1-CG1 3.79Å; F149-I155 HydrophobicContact CD2-CD1 3.67Å; F149-I155 HydrophobicContact CD2-CG1 3.79Å; F149-I155 HydrophobicContact CE1-CG1 4.11Å; F149-I155 HydrophobicContact CE2-CD1 4.12Å; F149-I155 HydrophobicContact CE2-CG1 4.13Å; F149-I155 HydrophobicContact CG-CD1 3.92Å; F149-I155 HydrophobicContact CG-CG1 3.62Å; F149-I155 HydrophobicContact CZ-CG1 4.28Å; I155-F169 CarbonylContact C-O 3.58Å; I155-F169 VanDerWaalsContact CA-O 3.3Å; I155-F169 WeakPolarHBondContact CA-O 3.26Å; I155-F200 HydrophobicContact CD1-CE1 4Å
156G93.2Very high92.4Very high2 Ų223.9 Ų23.92%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-92.6144171.500000110.7W85 F168 F169W85-G156 CarbonylContact O-C 3.51Å; W85-G156 WeakPolarHBondContact O-CA 3.13Å; G156-F168 CarbonylContact O-C 3.59Å; G156-F168 WeakPolarHBondContact O-CA 3.43Å; G156-F169 PolarHBondContact N-O 2.78Å; G156-F169 PolarHBondContact O-N 2.76Å
157C94.4Very high92.5Very high0 Ų021.4 Ų21.40%011%0.106CC..EExtended strand (participates in β ladder)trans-131124.1174.5-64.50000108.8F84 W85 V100 L166 Y167F84-C157 WeakPolarHBondContact CA-O 3.4Å; F84-C157 WeakPolarHBondContact CD2-O 3.44Å; W85-C157 HydrophobicContact CD2-CB 3.62Å; W85-C157 HydrophobicContact CE3-CB 3.98Å; W85-C157 HydrophobicContact CG-CB 4.27Å; W85-C157 HydrophobicContact CH2-CB 3.59Å; W85-C157 HydrophobicContact CZ2-CB 3.2Å; W85-C157 HydrophobicContact CZ3-CB 3.96Å; W85-C157 PolarHBondContact N-O 2.94Å; W85-C157 VanDerWaalsContact N-O 3.1Å; W85-C157 PolarHBondContact O-N 3.25Å; V100-C157 VanDerWaalsContact CG1-SG 3.55Å; C157-L166 HydrophobicContact CB-CD1 4.46Å; C157-Y167 WeakPolarHBondContact CA-O 3.5Å
158L92.7Very high92.6Very high5 Ų521.2 Ų21.23%0.02610%0.104CC..EExtended strand (participates in β ladder)trans-113.5109.8174.3178.465.9000109.2L82 F84 L166 Y167 F169 F258L82-L158 HydrophobicContact CB-CD1 4.46Å; F84-L158 HydrophobicContact CB-CD1 4.12Å; F84-L158 HydrophobicContact CD2-CB 3.96Å; F84-L158 HydrophobicContact CD2-CD1 4.21Å; L158-L166 WeakPolarHBondContact O-CA 3.34Å; L158-Y167 HydrophobicContact CB-CD2 4.4Å; L158-Y167 HydrophobicContact CD2-CD2 4.14Å; L158-Y167 HydrophobicContact CG-CD2 4.34Å; L158-Y167 PolarHBondContact N-O 3.22Å; L158-Y167 PolarHBondContact O-N 2.76Å; L158-F169 HydrophobicContact CB-CE2 3.6Å; L158-F169 HydrophobicContact CB-CZ 4.16Å; L158-F169 HydrophobicContact CD2-CZ 4.32Å; L158-F258 HydrophobicContact CD2-CD2 4.17Å; L158-F258 HydrophobicContact CD2-CE2 4.29Å
159L93.7Very high92.3Very high0 Ų019.3 Ų19.30%09%0.088CC..EExtended strand (participates in β ladder)trans-96.8114.3173.2178.163.9000109.4L78 L82 H83 W85 I102 L161 L166 L182 Y187L78-L159 HydrophobicContact CB-CD2 3.82Å; L78-L159 HydrophobicContact CD1-CD2 3.6Å; L78-L159 HydrophobicContact CG-CD2 4.37Å; L82-L159 CarbonylContact C-O 3.39Å; L82-L159 WeakPolarHBondContact CA-O 3.23Å; H83-L159 HydrophobicContact CB-CB 4.28Å; H83-L159 PolarHBondContact N-O 3.3Å; H83-L159 PolarHBondContact O-N 3.41Å; W85-L159 HydrophobicContact CH2-CB 4.25Å; W85-L159 HydrophobicContact CZ3-CB 3.87Å; I102-L159 HydrophobicContact CD1-CD1 4Å; L159-L161 HydrophobicContact CD1-CD2 3.85Å; L159-L161 HydrophobicContact CD1-CG 4.44Å; L159-L161 HydrophobicContact CD2-CD1 4.28Å; L159-L161 HydrophobicContact CD2-CD2 3.98Å; L159-L161 HydrophobicContact CD2-CG 4.14Å; L159-L161 HydrophobicContact CG-CD2 3.85Å; L159-L161 HydrophobicContact CG-CG 3.95Å; L159-L166 HydrophobicContact CB-CD1 4.3Å; L159-L166 HydrophobicContact CD1-CB 4.43Å; L159-L182 HydrophobicContact CD1-CD1 3.34Å; L159-Y187 HydrophobicContact CD2-CD2 4.44Å
160D89.8Confident92.1Very high6 Ų619.7 Ų19.73%0.0329%0.091CC..EExtended strand (participates in β ladder)trans-105.199.1175.4-175.1-22.9000109.9L82 W162 H163 C164 K165L82-D160 HydrophobicContact CD2-CB 3.64Å; D160-W162 VanDerWaalsContact C-N 3.27Å; D160-W162 PolarHBondContact O-N 2.71Å; D160-W162 WeakPolarHBondContact OD1-CA 3.24Å; D160-W162 WeakPolarHBondContact OD1-CB 3.29Å; D160-W162 PolarHBondContact OD1-N 3.02Å; D160-H163 IonicContact OD1-CG 3.58Å; D160-H163 PolarHBondContact OD1-N 3.23Å; D160-H163 IonicContact OD1-ND1 2.69Å; D160-H163 PolarHBondContact OD1-ND1 3.3Å; D160-H163 IonicContact OD2-CE1 3.9Å; D160-H163 IonicContact OD2-CG 3.38Å; D160-H163 IonicContact OD2-ND1 3.8Å; D160-H163 PolarHBondContact OD2-ND1 3.38Å; D160-C164 CarbonylContact O-C 3.58Å; D160-C164 WeakPolarHBondContact O-CA 3.44Å; D160-C164 PolarHBondContact O-N 3.05Å; D160-K165 PolarHBondContact N-O 2.86Å; D160-K165 PolarHBondContact O-N 3.34Å
161L91.7Very high91.9Very high19 Ų1915.5 Ų15.510%0.0997%0.074CC..THydrogen-bonded Turntrans-81.9-6.9-179.6-63.7175.2000113.1L78 G81 L159 Y187L78-L161 HydrophobicContact CB-CD1 4.48Å; L78-L161 WeakPolarHBondContact O-CD1 3.42Å; G81-L161 PolarHBondContact O-N 3.45Å; L159-L161 HydrophobicContact CD1-CD2 3.85Å; L159-L161 HydrophobicContact CD1-CG 4.44Å; L159-L161 HydrophobicContact CD2-CD1 4.28Å; L159-L161 HydrophobicContact CD2-CD2 3.98Å; L159-L161 HydrophobicContact CD2-CG 4.14Å; L159-L161 HydrophobicContact CG-CD2 3.85Å; L159-L161 HydrophobicContact CG-CG 3.95Å; L161-Y187 HydrophobicContact CD2-CD2 3.72Å; L161-Y187 HydrophobicContact CD2-CE2 3.91Å
162W87.5Confident91.4Very high51 Ų5115.6 Ų15.619%0.1938%0.079CC..THydrogen-bonded Turntrans-80-49.6173.3178.5-88.8000110.8D160 I210 L215 R365 Y366 A369D160-W162 VanDerWaalsContact C-N 3.27Å; D160-W162 PolarHBondContact O-N 2.71Å; D160-W162 WeakPolarHBondContact OD1-CA 3.24Å; D160-W162 WeakPolarHBondContact OD1-CB 3.29Å; D160-W162 PolarHBondContact OD1-N 3.02Å; W162-I210 HydrophobicContact CB-CD1 3.85Å; W162-I210 HydrophobicContact CB-CG1 3.78Å; W162-I210 HydrophobicContact CB-CG2 4.38Å; W162-I210 HydrophobicContact CD2-CG2 3.77Å; W162-I210 HydrophobicContact CE3-CB 4.34Å; W162-I210 HydrophobicContact CE3-CG2 3.9Å; W162-I210 HydrophobicContact CG-CD1 4.34Å; W162-I210 HydrophobicContact CG-CG1 4.32Å; W162-I210 HydrophobicContact CG-CG2 3.99Å; W162-I210 HydrophobicContact CZ3-CG2 4.48Å; W162-L215 HydrophobicContact CZ2-CD1 4.01Å; W162-R365 HydrophobicContact CH2-CB 4.22Å; W162-R365 HydrophobicContact CZ3-CB 4.36Å; W162-Y366 AromaticContact CZ2-CD2 3.95Å; W162-Y366 HydrophobicContact CZ2-CD2 3.95Å; W162-A369 HydrophobicContact CH2-CB 4.41Å; W162-A369 HydrophobicContact CZ2-CB 3.98Å
163H84.8Confident91Very high59 Ų5921.5 Ų21.527%0.27311%0.106SC..THydrogen-bonded Turntrans-89.3-4175.5-55.1106.7000113.4D160D160-H163 IonicContact OD1-CG 3.58Å; D160-H163 PolarHBondContact OD1-N 3.23Å; D160-H163 IonicContact OD1-ND1 2.69Å; D160-H163 PolarHBondContact OD1-ND1 3.3Å; D160-H163 IonicContact OD2-CE1 3.9Å; D160-H163 IonicContact OD2-CG 3.38Å; D160-H163 IonicContact OD2-ND1 3.8Å; D160-H163 PolarHBondContact OD2-ND1 3.38Å
164C93.1Very high90.4Very high16 Ų1622.5 Ų22.511%0.10811%0.111CC..THydrogen-bonded Turntrans56.955.2-178.6-47.30000112.2D160 L182 R184D160-C164 CarbonylContact O-C 3.58Å; D160-C164 WeakPolarHBondContact O-CA 3.44Å; D160-C164 PolarHBondContact O-N 3.05Å; C164-L182 HydrophobicContact CB-CB 4.37Å; C164-L182 WeakPolarHBondContact CB-O 3.21Å; C164-L182 PolarHBondContact O-N 2.87Å; C164-R184 VanDerWaalsContact SG-CG 3.55Å
165K91.4Very high89.6Confident53 Ų5323.7 Ų23.723%0.2312%0.118CC..EExtended strand (participates in β ladder)trans-131.2145.8-179.3-70.7-171.3172.4-168.20112.1D160 Y167 F180 N181D160-K165 PolarHBondContact N-O 2.86Å; D160-K165 PolarHBondContact O-N 3.34Å; K165-Y167 HydrophobicContact CB-CD2 4.37Å; K165-Y167 HydrophobicContact CB-CE2 3.63Å; K165-Y167 HydrophobicContact CD-CE2 4.34Å; K165-Y167 WeakPolarHBondContact CD-OH 3.32Å; K165-F180 VanDerWaalsContact CA-O 3.28Å; K165-F180 WeakPolarHBondContact CA-O 3.16Å; K165-N181 WeakPolarHBondContact CE-OD1 3.49Å
166L94.3Very high88.6Confident0 Ų026.9 Ų26.90%014%0.138CC..EExtended strand (participates in β ladder)trans-118.8125.5169.117365.3000109.2W85 I102 W127 C157 L158 L159 F168 C179 F180 L182W85-L166 HydrophobicContact CH2-CD1 4.2Å; I102-L166 HydrophobicContact CD1-CB 4.5Å; I102-L166 HydrophobicContact CD1-CD2 3.83Å; I102-L166 HydrophobicContact CG1-CD2 3.83Å; I102-L166 HydrophobicContact CG2-CD1 4.41Å; I102-L166 HydrophobicContact CG2-CD2 4.15Å; W127-L166 HydrophobicContact CB-CD2 4.42Å; C157-L166 HydrophobicContact CB-CD1 4.46Å; L158-L166 WeakPolarHBondContact O-CA 3.34Å; L159-L166 HydrophobicContact CB-CD1 4.3Å; L159-L166 HydrophobicContact CD1-CB 4.43Å; L166-F168 HydrophobicContact CD2-CE1 4.39Å; L166-F168 HydrophobicContact CD2-CE2 3.78Å; L166-F168 HydrophobicContact CD2-CZ 3.54Å; L166-F168 HydrophobicContact CG-CE2 3.97Å; L166-F168 HydrophobicContact CG-CZ 4.06Å; L166-C179 CarbonylContact O-C 3.58Å; L166-C179 WeakPolarHBondContact O-CA 3.43Å; L166-C179 PolarHBondContact O-SG 2.86Å; L166-F180 HydrophobicContact CB-CB 4.44Å; L166-F180 HydrophobicContact CD2-CD2 4.2Å; L166-F180 PolarHBondContact N-O 2.97Å; L166-F180 PolarHBondContact O-N 2.89Å; L166-L182 HydrophobicContact CB-CD1 3.97Å; L166-L182 HydrophobicContact CB-CD2 4.49Å; L166-L182 HydrophobicContact CB-CG 4.39Å
167Y91.5Very high88.1Confident32 Ų3230.3 Ų30.313%0.12516%0.156CC..EExtended strand (participates in β ladder)trans-114.2142.6176.5-54.8-93.5000111.1C157 L158 K165 L174 C179C157-Y167 WeakPolarHBondContact CA-O 3.5Å; L158-Y167 HydrophobicContact CB-CD2 4.4Å; L158-Y167 HydrophobicContact CD2-CD2 4.14Å; L158-Y167 HydrophobicContact CG-CD2 4.34Å; L158-Y167 PolarHBondContact N-O 3.22Å; L158-Y167 PolarHBondContact O-N 2.76Å; K165-Y167 HydrophobicContact CB-CD2 4.37Å; K165-Y167 HydrophobicContact CB-CE2 3.63Å; K165-Y167 HydrophobicContact CD-CE2 4.34Å; K165-Y167 WeakPolarHBondContact CD-OH 3.32Å; Y167-L174 HydrophobicContact CD1-CD1 4.22Å; Y167-C179 HydrophobicContact CD1-CB 3.79Å; Y167-C179 VanDerWaalsContact CD1-SG 3.57Å; Y167-C179 HydrophobicContact CE1-CB 4.02Å; Y167-C179 WeakPolarHBondContact CE1-SG 3.33Å
168F92.4Very high87.7Confident1 Ų130.3 Ų30.30%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-109.6144.4172.7-63.3-86.3000112.2V100 L129 L135 G156 L166 L174 A178 F180V100-F168 WeakPolarHBondContact O-CE1 3.38Å; L129-F168 HydrophobicContact CB-CD1 3.76Å; L129-F168 HydrophobicContact CB-CD2 4.18Å; L129-F168 HydrophobicContact CB-CE1 3.69Å; L129-F168 HydrophobicContact CB-CE2 4.11Å; L129-F168 HydrophobicContact CB-CG 4Å; L129-F168 HydrophobicContact CB-CZ 3.86Å; L129-F168 HydrophobicContact CD2-CB 3.77Å; L129-F168 HydrophobicContact CD2-CD1 3.84Å; L129-F168 HydrophobicContact CD2-CG 3.83Å; L129-F168 HydrophobicContact CG-CD1 4.45Å; L129-F168 HydrophobicContact CG-CG 4.47Å; L135-F168 HydrophobicContact CD2-CD2 3.72Å; L135-F168 HydrophobicContact CD2-CE2 3.74Å; G156-F168 CarbonylContact O-C 3.59Å; G156-F168 WeakPolarHBondContact O-CA 3.43Å; L166-F168 HydrophobicContact CD2-CE1 4.39Å; L166-F168 HydrophobicContact CD2-CE2 3.78Å; L166-F168 HydrophobicContact CD2-CZ 3.54Å; L166-F168 HydrophobicContact CG-CE2 3.97Å; L166-F168 HydrophobicContact CG-CZ 4.06Å; F168-L174 WeakPolarHBondContact O-CD1 3.39Å; F168-A178 HydrophobicContact CB-CB 4.34Å; F168-A178 PolarHBondContact N-O 3.48Å; F168-F180 AromaticContact CE2-CD2 3.81Å; F168-F180 HydrophobicContact CE2-CD2 3.81Å; F168-F180 AromaticContact CE2-CE2 3.72Å; F168-F180 HydrophobicContact CE2-CE2 3.72Å; F168-F180 HydrophobicContact CZ-CE2 4.34Å
169F89.8Confident87.6Confident5 Ų531.6 Ų31.62%0.02217%0.165CC..EExtended strand (participates in β ladder)trans-125.5138.6175.8-52.9-104.2000108.2F84 I155 G156 L158 Q173 L174 Q261F84-F169 HydrophobicContact CE2-CD2 4.12Å; F84-F169 HydrophobicContact CE2-CE2 4.16Å; I155-F169 CarbonylContact C-O 3.58Å; I155-F169 VanDerWaalsContact CA-O 3.3Å; I155-F169 WeakPolarHBondContact CA-O 3.26Å; G156-F169 PolarHBondContact N-O 2.78Å; G156-F169 PolarHBondContact O-N 2.76Å; L158-F169 HydrophobicContact CB-CE2 3.6Å; L158-F169 HydrophobicContact CB-CZ 4.16Å; L158-F169 HydrophobicContact CD2-CZ 4.32Å; F169-Q173 CarbonylContact C-O 3.49Å; F169-Q173 VanDerWaalsContact CA-O 3.24Å; F169-Q173 WeakPolarHBondContact CA-O 3.34Å; F169-L174 HydrophobicContact CD1-CB 3.67Å; F169-L174 HydrophobicContact CD1-CD1 4.25Å; F169-L174 HydrophobicContact CD1-CG 4.48Å; F169-L174 HydrophobicContact CE1-CB 3.65Å; F169-L174 HydrophobicContact CE1-CD1 3.97Å; F169-L174 HydrophobicContact CE1-CD2 4.13Å; F169-L174 HydrophobicContact CE1-CG 4.13Å; F169-L174 HydrophobicContact CZ-CD1 4.09Å; F169-L174 HydrophobicContact CZ-CD2 4.47Å; F169-Q261 VanDerWaalsContact CD1-OE1 3.26Å
170V92.3Very high87.6Confident14 Ų1432.8 Ų32.89%0.08517%0.17CC..EExtended strand (participates in β ladder)trans-124.9126.9170.5179.60000108.7L129 C147 F149 I154 G172 Q173L129-V170 HydrophobicContact CD2-CG2 4.4Å; C147-V170 HydrophobicContact CB-CG2 4.49Å; F149-V170 HydrophobicContact CB-CG1 3.89Å; F149-V170 HydrophobicContact CB-CG2 4.37Å; F149-V170 HydrophobicContact CD1-CG2 4.42Å; I154-V170 WeakPolarHBondContact O-CA 3.44Å; V170-G172 PolarHBondContact O-N 3.48Å; V170-G172 VanDerWaalsContact O-N 3.13Å; V170-Q173 PolarHBondContact N-O 3.36Å; V170-Q173 WeakPolarHBondContact O-CB 3.31Å; V170-Q173 PolarHBondContact O-N 3.17Å
171D89.9Confident87.7Confident36 Ų3635.5 Ų35.519%0.19319%0.185CC..THydrogen-bonded Turntrans5038.7-177.5-70.6-13.4000113.2V4 K6 S153 I154 Q173V4-D171 HydrophobicContact CG2-CB 4.11Å; K6-D171 IonicContact NZ-OD2 3.08Å; K6-D171 PolarHBondContact NZ-OD2 3Å; S153-D171 WeakPolarHBondContact CA-OD1 3.38Å; I154-D171 PolarHBondContact N-OD1 3.49Å; I154-D171 PolarHBondContact O-N 2.78Å; D171-Q173 VanDerWaalsContact C-N 3.3Å; D171-Q173 PolarHBondContact O-N 2.82Å
172G82.7Confident87.9Confident16 Ų1635.3 Ų35.317%0.16518%0.184CC..THydrogen-bonded Turntrans69.226.2-17900000113.6V170 Q261V170-G172 PolarHBondContact O-N 3.48Å; V170-G172 VanDerWaalsContact O-N 3.13Å; G172-Q261 PolarHBondContact O-NE2 2.83Å
173Q84.1Confident88.3Confident126 Ų12635.3 Ų35.359%0.58919%0.19SC*.EExtended strand (participates in β ladder)trans-116.8128.8169.7-58.2-173.41200110.5F169 V170 D171F169-Q173 CarbonylContact C-O 3.49Å; F169-Q173 VanDerWaalsContact CA-O 3.24Å; F169-Q173 WeakPolarHBondContact CA-O 3.34Å; V170-Q173 PolarHBondContact N-O 3.36Å; V170-Q173 WeakPolarHBondContact O-CB 3.31Å; V170-Q173 PolarHBondContact O-N 3.17Å; D171-Q173 VanDerWaalsContact C-N 3.3Å; D171-Q173 PolarHBondContact O-N 2.82Å
174L80Confident88.7Confident25 Ų2540.4 Ų40.413%0.13121%0.207CC..EExtended strand (participates in β ladder)trans-92.4127.4170174.563.9000109.3Y167 F168 F169Y167-L174 HydrophobicContact CD1-CD1 4.22Å; F168-L174 WeakPolarHBondContact O-CD1 3.39Å; F169-L174 HydrophobicContact CD1-CB 3.67Å; F169-L174 HydrophobicContact CD1-CD1 4.25Å; F169-L174 HydrophobicContact CD1-CG 4.48Å; F169-L174 HydrophobicContact CE1-CB 3.65Å; F169-L174 HydrophobicContact CE1-CD1 3.97Å; F169-L174 HydrophobicContact CE1-CD2 4.13Å; F169-L174 HydrophobicContact CE1-CG 4.13Å; F169-L174 HydrophobicContact CZ-CD1 4.09Å; F169-L174 HydrophobicContact CZ-CD2 4.47Å
175N76.7Confident88.9Confident32 Ų3242.4 Ų42.417%0.17122%0.217CC..EExtended strand (participates in β ladder)trans-91.9122.1159.5-175.7-29.6000108S146 C147 N177 A178S146-N175 PolarHBondContact OG-ND2 3.31Å; C147-N175 WeakPolarHBondContact SG-CB 3.25Å; N175-N177 PolarHBondContact O-N 2.79Å; N175-N177 VanDerWaalsContact O-N 3.12Å; N175-N177 VanDerWaalsContact OD1-CB 3.31Å; N175-N177 WeakPolarHBondContact OD1-CB 3.28Å; N175-N177 PolarHBondContact OD1-N 2.82Å; N175-A178 HydrophobicContact CB-CB 3.85Å; N175-A178 WeakPolarHBondContact O-CA 3.5Å; N175-A178 WeakPolarHBondContact O-CB 3.41Å; N175-A178 PolarHBondContact O-N 2.97Å
176P74.8Confident89.1Confident66 Ų6642.5 Ų42.543%0.42922%0.22SC..EExtended strand (participates in β ladder)trans-54.6-29.8176.7-27.435.7000114.2A178 L265P176-A178 VanDerWaalsContact C-N 3.32Å; P176-L265 HydrophobicContact CG-CD1 3.95Å; P176-L265 HydrophobicContact CG-CD2 3.24Å; P176-L265 HydrophobicContact CG-CG 4.24Å
177N82.4Confident89.3Confident75 Ų7542.5 Ų42.540%0.40122%0.22SC..EExtended strand (participates in β ladder)trans-81.5-13.9178.2-57.8-24000112.2L144 N175 C179L144-N177 HydrophobicContact CD1-CB 4.14Å; L144-N177 VanDerWaalsContact CD1-O 3.3Å; L144-N177 WeakPolarHBondContact CD1-O 3.34Å; L144-N177 HydrophobicContact CD2-CB 3.92Å; N175-N177 PolarHBondContact O-N 2.79Å; N175-N177 VanDerWaalsContact O-N 3.12Å; N175-N177 VanDerWaalsContact OD1-CB 3.31Å; N175-N177 WeakPolarHBondContact OD1-CB 3.28Å; N175-N177 PolarHBondContact OD1-N 2.82Å; N177-C179 PolarHBondContact O-N 3.01Å
178A86.5Confident89.6Confident0 Ų043.1 Ų43.10%022%0.222CC..EExtended strand (participates in β ladder)trans-82.453.6174.800000111.2L144 C147 F168 N175 P176L144-A178 HydrophobicContact CD1-CB 4.07Å; C147-A178 VanDerWaalsContact SG-CB 3.56Å; F168-A178 HydrophobicContact CB-CB 4.34Å; F168-A178 PolarHBondContact N-O 3.48Å; N175-A178 HydrophobicContact CB-CB 3.85Å; N175-A178 WeakPolarHBondContact O-CA 3.5Å; N175-A178 WeakPolarHBondContact O-CB 3.41Å; N175-A178 PolarHBondContact O-N 2.97Å; P176-A178 VanDerWaalsContact C-N 3.32Å
179C90.1Very high89.9Confident31 Ų3143 Ų4321%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-134.4141.8-176.7-177.10000111L166 Y167 N177L166-C179 CarbonylContact O-C 3.58Å; L166-C179 WeakPolarHBondContact O-CA 3.43Å; L166-C179 PolarHBondContact O-SG 2.86Å; Y167-C179 HydrophobicContact CD1-CB 3.79Å; Y167-C179 VanDerWaalsContact CD1-SG 3.57Å; Y167-C179 HydrophobicContact CE1-CB 4.02Å; Y167-C179 WeakPolarHBondContact CE1-SG 3.33Å; N177-C179 PolarHBondContact O-N 3.01Å
180F93.7Very high90.3Very high25 Ų2543.2 Ų43.211%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-108.7143166.7-67.7-67.9000111.2W127 L135 M136 H137 K165 L166 F168 L182W127-F180 HydrophobicContact CB-CD2 3.81Å; W127-F180 HydrophobicContact CB-CE2 3.8Å; W127-F180 HydrophobicContact CB-CG 4.39Å; W127-F180 HydrophobicContact CB-CZ 4.4Å; W127-F180 AromaticContact CD1-CD1 3.63Å; W127-F180 AromaticContact CD1-CD2 3.77Å; W127-F180 AromaticContact CD1-CG 3.46Å; W127-F180 VanDerWaalsContact CD1-CG 3.46Å; W127-F180 HydrophobicContact CG-CD2 4.13Å; W127-F180 HydrophobicContact CG-CE2 4.41Å; W127-F180 HydrophobicContact CG-CG 4.23Å; L135-F180 HydrophobicContact CB-CE1 3.97Å; L135-F180 HydrophobicContact CB-CE2 4.31Å; L135-F180 HydrophobicContact CB-CZ 3.55Å; L135-F180 HydrophobicContact CD1-CE1 4.21Å; L135-F180 HydrophobicContact CD1-CE2 4.44Å; L135-F180 HydrophobicContact CD1-CZ 4.14Å; L135-F180 HydrophobicContact CD2-CD2 4.47Å; L135-F180 HydrophobicContact CD2-CE2 3.7Å; L135-F180 HydrophobicContact CD2-CZ 3.86Å; L135-F180 HydrophobicContact CG-CE2 4.36Å; L135-F180 HydrophobicContact CG-CZ 4.05Å; M136-F180 WeakPolarHBondContact O-CZ 3.37Å; H137-F180 HydrophobicContact CB-CD1 4.43Å; H137-F180 HydrophobicContact CB-CE1 3.86Å; H137-F180 HydrophobicContact CB-CZ 4.32Å; K165-F180 VanDerWaalsContact CA-O 3.28Å; K165-F180 WeakPolarHBondContact CA-O 3.16Å; L166-F180 HydrophobicContact CB-CB 4.44Å; L166-F180 HydrophobicContact CD2-CD2 4.2Å; L166-F180 PolarHBondContact N-O 2.97Å; L166-F180 PolarHBondContact O-N 2.89Å; F168-F180 AromaticContact CE2-CD2 3.81Å; F168-F180 HydrophobicContact CE2-CD2 3.81Å; F168-F180 AromaticContact CE2-CE2 3.72Å; F168-F180 HydrophobicContact CE2-CE2 3.72Å; F168-F180 HydrophobicContact CZ-CE2 4.34Å; F180-L182 HydrophobicContact CB-CD2 4.05Å
181N93.1Very high90.6Very high63 Ų6342.5 Ų42.534%0.33722%0.219SC..EExtended strand (participates in β ladder)trans-83.5135.2158.1-65.4-44.3000108K165K165-N181 WeakPolarHBondContact CE-OD1 3.49Å
182L94.8Very high90.9Very high15 Ų1540.9 Ų40.98%0.07921%0.21CC..  trans-115.9149.2-176-58.7179.7000110.3I102 W127 L159 C164 L166 F180 Y187I102-L182 HydrophobicContact CD1-CD1 3.63Å; I102-L182 HydrophobicContact CD1-CD2 4.05Å; W127-L182 HydrophobicContact CD2-CD2 3.62Å; W127-L182 HydrophobicContact CE3-CD2 4.24Å; W127-L182 HydrophobicContact CG-CD2 3.88Å; W127-L182 HydrophobicContact CZ2-CD2 4.07Å; L159-L182 HydrophobicContact CD1-CD1 3.34Å; C164-L182 HydrophobicContact CB-CB 4.37Å; C164-L182 WeakPolarHBondContact CB-O 3.21Å; C164-L182 PolarHBondContact O-N 2.87Å; L166-L182 HydrophobicContact CB-CD1 3.97Å; L166-L182 HydrophobicContact CB-CD2 4.49Å; L166-L182 HydrophobicContact CB-CG 4.39Å; F180-L182 HydrophobicContact CB-CD2 4.05Å; L182-Y187 HydrophobicContact CD1-CE2 4.25Å
183P95.2Very high91.5Very high52 Ų5240.1 Ų40.134%0.33820%0.202SC..  trans-66.3162.516119-18.5000111.2W127 D185 Y187W127-P183 HydrophobicContact CH2-CG 4.18Å; W127-P183 HydrophobicContact CZ2-CG 4.19Å; P183-D185 PolarHBondContact O-N 2.99Å; P183-Y187 WeakPolarHBondContact CD-OH 3.4Å; P183-Y187 PolarHBondContact O-OH 2.84Å
184R94.6Very high92Very high166 Ų16634.4 Ų34.463%0.62618%0.176SC*.SBendtrans-73.9108.6171.3-76.7-172.4-168.2-72.8-4.3109.3C164C164-R184 VanDerWaalsContact SG-CG 3.55Å
185D96Very high92.6Very high57 Ų5733.4 Ų33.431%0.30517%0.171SC..  trans-158.3-179.6174.6-149.1-24.1000110.1R104 P183 Y187R104-D185 VanDerWaalsContact CD-OD2 3.32Å; R104-D185 WeakPolarHBondContact CD-OD2 3.08Å; R104-D185 IonicContact NE-OD2 2.74Å; P183-D185 PolarHBondContact O-N 2.99Å; D185-Y187 HydrophobicContact CB-CE2 3.97Å; D185-Y187 WeakPolarHBondContact O-CD2 3.4Å; D185-Y187 VanDerWaalsContact O-CE2 3.25Å; D185-Y187 WeakPolarHBondContact O-CE2 3.35Å
186N96.8Very high93.3Very high56 Ų5634.5 Ų34.530%0.29918%0.176SC..  trans-100.5144.3170.2-50.3-52.7000109.8L77 L78 T79L77-N186 HydrophobicContact CD1-CB 3.65Å; L77-N186 HydrophobicContact CD2-CB 4.05Å; L77-N186 HydrophobicContact CG-CB 3.84Å; L78-N186 WeakPolarHBondContact O-CA 3.48Å; T79-N186 VanDerWaalsContact CA-OD1 3.26Å; T79-N186 WeakPolarHBondContact CA-OD1 3.38Å; T79-N186 WeakPolarHBondContact CB-OD1 3.14Å; T79-N186 HydrophobicContact CG2-CB 4.17Å; T79-N186 WeakPolarHBondContact CG2-OD1 3.33Å
187Y98.4Very high94.1Very high0 Ų037.6 Ų37.60%018%0.18CC..EExtended strand (participates in β ladder)trans-131151.2-171.7-62.7-86.1000111.6L78 I102 G103 R104 W127 L159 L161 L182 P183 D185L78-Y187 WeakPolarHBondContact CA-O 3.4Å; L78-Y187 VanDerWaalsContact CB-O 3.25Å; L78-Y187 WeakPolarHBondContact CB-O 3.44Å; L78-Y187 WeakPolarHBondContact CG-O 3.41Å; L78-Y187 PolarHBondContact N-O 2.86Å; L78-Y187 PolarHBondContact O-N 3.44Å; I102-Y187 HydrophobicContact CB-CD1 4.46Å; I102-Y187 HydrophobicContact CD1-CD1 3.6Å; I102-Y187 HydrophobicContact CD1-CD2 4.45Å; I102-Y187 HydrophobicContact CD1-CE1 4.03Å; I102-Y187 HydrophobicContact CD1-CG 3.82Å; I102-Y187 HydrophobicContact CG1-CD1 4.07Å; G103-Y187 CarbonylContact O-C 3.54Å; G103-Y187 WeakPolarHBondContact O-CA 3.42Å; R104-Y187 HydrophobicContact CG-CD1 4.16Å; R104-Y187 HydrophobicContact CG-CE1 3.76Å; W127-Y187 HydrophobicContact CE3-CE1 4.05Å; W127-Y187 HydrophobicContact CH2-CE1 4.02Å; W127-Y187 HydrophobicContact CZ3-CD1 4.26Å; W127-Y187 AromaticContact CZ3-CE1 3.51Å; W127-Y187 HydrophobicContact CZ3-CE1 3.51Å; L159-Y187 HydrophobicContact CD2-CD2 4.44Å; L161-Y187 HydrophobicContact CD2-CD2 3.72Å; L161-Y187 HydrophobicContact CD2-CE2 3.91Å; L182-Y187 HydrophobicContact CD1-CE2 4.25Å; P183-Y187 WeakPolarHBondContact CD-OH 3.4Å; P183-Y187 PolarHBondContact O-OH 2.84Å; D185-Y187 HydrophobicContact CB-CE2 3.97Å; D185-Y187 WeakPolarHBondContact O-CD2 3.4Å; D185-Y187 VanDerWaalsContact O-CE2 3.25Å; D185-Y187 WeakPolarHBondContact O-CE2 3.35Å
188Y98.3Very high94.7Very high44 Ų4434 Ų3417%0.17316%0.16CC..EExtended strand (participates in β ladder)trans-102.6140.1162.9-72.9-76000110R73 G74 A76 L77 I102 G103 T105R73-Y188 HydrophobicContact CG-CD1 4.02Å; R73-Y188 HydrophobicContact CG-CD2 4.36Å; R73-Y188 HydrophobicContact CG-CG 3.73Å; R73-Y188 VanDerWaalsContact NH1-CE2 3.3Å; R73-Y188 PolarHBondContact NH1-OH 3.05Å; G74-Y188 VanDerWaalsContact O-CD1 3.25Å; G74-Y188 WeakPolarHBondContact O-CD1 3.13Å; A76-Y188 WeakPolarHBondContact O-CD1 3.35Å; L77-Y188 HydrophobicContact CB-CE1 3.82Å; L77-Y188 HydrophobicContact CD1-CD2 3.97Å; L77-Y188 HydrophobicContact CD1-CE1 4.15Å; L77-Y188 HydrophobicContact CD1-CE2 3.59Å; L77-Y188 HydrophobicContact CD1-CG 4.42Å; I102-Y188 WeakPolarHBondContact CA-O 2.97Å; I102-Y188 WeakPolarHBondContact CB-O 3.15Å; G103-Y188 PolarHBondContact N-O 3.12Å; G103-Y188 PolarHBondContact O-N 3.07Å; T105-Y188 HydrophobicContact CG2-CD2 4.48Å; T105-Y188 HydrophobicContact CG2-CE2 3.96Å
189P98.3Very high95.1Very high0 Ų034.1 Ų34.10%016%0.161CC..EExtended strand (participates in β ladder)trans-68.4136.5165.930.6-30.3000108.5W38 G74 L78 W85W38-P189 HydrophobicContact CD2-CG 4.09Å; W38-P189 HydrophobicContact CE3-CG 4.17Å; W38-P189 HydrophobicContact CH2-CB 3.76Å; W38-P189 HydrophobicContact CH2-CG 3.53Å; W38-P189 HydrophobicContact CZ2-CB 3.71Å; W38-P189 HydrophobicContact CZ2-CG 3.4Å; W38-P189 HydrophobicContact CZ3-CG 3.91Å; G74-P189 PolarHBondContact N-O 3.03Å; L78-P189 HydrophobicContact CD1-CB 4.43Å; L78-P189 HydrophobicContact CD1-CG 4.25Å; W85-P189 HydrophobicContact CD2-CB 4.25Å; W85-P189 HydrophobicContact CH2-CB 4.23Å; W85-P189 HydrophobicContact CZ2-CB 3.75Å
190M97.9Very high95.5Very high8 Ų832.7 Ų32.74%0.03915%0.151CC..EExtended strand (participates in β ladder)trans-136.2151-175.1-64.4-174.8-175.700111.2V71 A72 R73 G101 A107 L109 L120V71-M190 HydrophobicContact CG1-CB 4.49Å; V71-M190 HydrophobicContact CG1-SD 4.43Å; A72-M190 WeakPolarHBondContact O-CA 3.06Å; R73-M190 HydrophobicContact CG-CE 4.26Å; R73-M190 HydrophobicContact CG-CG 4.39Å; G101-M190 CarbonylContact C-O 3.59Å; G101-M190 PolarHBondContact N-O 3.01Å; G101-M190 PolarHBondContact O-N 3.38Å; G101-M190 VanDerWaalsContact O-O 3.08Å; A107-M190 HydrophobicContact CB-CE 4.37Å; L109-M190 HydrophobicContact CD1-SD 3.8Å; L120-M190 HydrophobicContact CD1-CB 4.21Å; L120-M190 HydrophobicContact CD2-CB 3.87Å; L120-M190 HydrophobicContact CD2-SD 4.08Å
191V97.8Very high95.6Very high0 Ų031.6 Ų31.60%015%0.147CC..EExtended strand (participates in β ladder)trans-134.5143.9167-77.60000109W40 V59 F61 V71 A72 L87 M99 V100 F200W40-V191 HydrophobicContact CE3-CG2 4.33Å; W40-V191 HydrophobicContact CH2-CB 4.41Å; W40-V191 HydrophobicContact CH2-CG1 3.99Å; W40-V191 HydrophobicContact CH2-CG2 3.56Å; W40-V191 HydrophobicContact CZ2-CG1 4.44Å; W40-V191 HydrophobicContact CZ2-CG2 3.93Å; W40-V191 HydrophobicContact CZ3-CG2 3.78Å; V59-V191 HydrophobicContact CG1-CG2 4.18Å; F61-V191 HydrophobicContact CE2-CB 4.45Å; F61-V191 HydrophobicContact CE2-CG2 4.17Å; F61-V191 HydrophobicContact CZ-CB 4.15Å; F61-V191 HydrophobicContact CZ-CG2 3.69Å; V71-V191 CarbonylContact C-O 3.52Å; V71-V191 WeakPolarHBondContact CA-O 3.09Å; A72-V191 HydrophobicContact CB-CG2 3.99Å; A72-V191 PolarHBondContact N-O 3.03Å; A72-V191 PolarHBondContact O-N 3.47Å; L87-V191 HydrophobicContact CD1-CG1 3.34Å; M99-V191 CarbonylContact O-C 2.89Å; M99-V191 VanDerWaalsContact O-CA 3.27Å; M99-V191 WeakPolarHBondContact O-CA 3.47Å; V100-V191 HydrophobicContact CB-CG1 4.35Å; V100-V191 HydrophobicContact CG1-CG1 4.25Å; V100-V191 HydrophobicContact CG2-CG1 4.03Å; V191-F200 HydrophobicContact CB-CD2 4.4Å; V191-F200 HydrophobicContact CG1-CD2 4.27Å; V191-F200 HydrophobicContact CG1-CE2 4.49Å
192S96.2Very high95.8Very high1 Ų128.7 Ų28.71%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-131.5153.3176.468.50000111.8A70 V98 M99A70-S192 CarbonylContact O-C 3.53Å; A70-S192 WeakPolarHBondContact O-CA 3.5Å; A70-S192 WeakPolarHBondContact O-CB 3.3Å; V98-S192 CarbonylContact C-O 3.6Å; V98-S192 WeakPolarHBondContact CA-O 3.47Å; M99-S192 WeakPolarHBondContact CB-OG 2.85Å; M99-S192 PolarHBondContact N-O 3.35Å; M99-S192 PolarHBondContact O-N 2.82Å
193S96.5Very high95.7Very high0 Ų028.5 Ų28.50%013%0.13CC..EExtended strand (participates in β ladder)trans-152.8139.7175.8-175.10000112.5H62 A70 T195 S198H62-S193 PolarHBondContact NE2-O 2.86Å; A70-S193 PolarHBondContact N-O 3.2Å; A70-S193 PolarHBondContact O-N 2.6Å; S193-T195 PolarHBondContact OG-N 2.98Å; S193-S198 WeakPolarHBondContact CB-OG 3.3Å; S193-S198 PolarHBondContact OG-OG 2.73Å
194T94.5Very high95.6Very high7 Ų727.9 Ų27.94%0.04312%0.121CC..  trans-94-1.4168.658.80000113.1S66 T69 T96 D97 F116S66-T194 PolarHBondContact OG-O 3.35Å; T69-T194 HydrophobicContact CG2-CG2 4.15Å; T69-T194 WeakPolarHBondContact OG1-CG2 3.45Å; T96-T194 PolarHBondContact N-OG1 2.82Å; D97-T194 PolarHBondContact N-OG1 3.26Å; D97-T194 PolarHBondContact O-N 3.22Å; D97-T194 PolarHBondContact O-OG1 3.48Å; D97-T194 VanDerWaalsContact O-OG1 3.05Å; F116-T194 HydrophobicContact CB-CG2 4.26Å; F116-T194 HydrophobicContact CD1-CG2 4.42Å
195T91.7Very high95.6Very high3 Ų320 Ų202%0.0189%0.092CC..SBendtrans-112.3131.2-154.3-580000112Y94 S193 R197 S198Y94-T195 HydrophobicContact CD1-CG2 3.66Å; Y94-T195 HydrophobicContact CD2-CG2 3.53Å; Y94-T195 HydrophobicContact CE1-CG2 3.5Å; Y94-T195 HydrophobicContact CE2-CG2 3.41Å; Y94-T195 VanDerWaalsContact CE2-CG2 3.41Å; Y94-T195 HydrophobicContact CG-CG2 3.65Å; Y94-T195 WeakPolarHBondContact O-CB 3.34Å; Y94-T195 WeakPolarHBondContact O-CG2 3.19Å; Y94-T195 PolarHBondContact O-OG1 3.37Å; S193-T195 PolarHBondContact OG-N 2.98Å; T195-R197 PolarHBondContact O-N 3.29Å; T195-S198 WeakPolarHBondContact O-CB 3.18Å; T195-S198 PolarHBondContact O-N 3.19Å; T195-S198 PolarHBondContact O-OG 2.9Å
196L92.2Very high95.3Very high55 Ų5518.8 Ų18.829%0.2888%0.084SC..THydrogen-bonded Turntrans-56132.6178.7-172.774.4000111.3H62 T64 Y94 S198H62-L196 HydrophobicContact CB-CD1 4.29Å; H62-L196 WeakPolarHBondContact O-CD1 3.16Å; T64-L196 VanDerWaalsContact C-CD1 3.49Å; T64-L196 WeakPolarHBondContact O-CD1 3.45Å; Y94-L196 PolarHBondContact OH-O 2.7Å; L196-S198 PolarHBondContact O-N 3.45Å; L196-S198 VanDerWaalsContact O-N 3.16Å
197R92Very high95Very high132 Ų13218 Ų1850%0.4988%0.082SC..THydrogen-bonded Turntrans53.534.5175.4-67.9169.9176.3-131.62113.8F61 H62 P63 S91 T195F61-R197 WeakPolarHBondContact O-CA 3.18Å; F61-R197 PolarHBondContact O-N 3.28Å; F61-R197 VanDerWaalsContact O-N 3.15Å; H62-R197 PolarHBondContact O-N 2.79Å; P63-R197 WeakPolarHBondContact O-CG 3.26Å; P63-R197 PolarHBondContact O-NE 3.4Å; S91-R197 WeakPolarHBondContact CB-O 3.32Å; T195-R197 PolarHBondContact O-N 3.29Å
198S94.4Very high94.4Very high0 Ų019.9 Ų19.90%09%0.089CC..EExtended strand (participates in β ladder)trans-90.2145.9174.158.40000110.9T60 F61 S91 S193 T195 L196T60-S198 CarbonylContact C-O 3.57Å; T60-S198 WeakPolarHBondContact CA-O 3.01Å; F61-S198 PolarHBondContact N-O 2.87Å; F61-S198 PolarHBondContact O-N 2.91Å; S91-S198 WeakPolarHBondContact OG-CA 3.25Å; S193-S198 WeakPolarHBondContact CB-OG 3.3Å; S193-S198 PolarHBondContact OG-OG 2.73Å; T195-S198 WeakPolarHBondContact O-CB 3.18Å; T195-S198 PolarHBondContact O-N 3.19Å; T195-S198 PolarHBondContact O-OG 2.9Å; L196-S198 PolarHBondContact O-N 3.45Å; L196-S198 VanDerWaalsContact O-N 3.16Å
199G94.9Very high93.7Very high2 Ų222.2 Ų22.22%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-156.3150.2-175.800000116.1V59 V90 S91V59-G199 CarbonylContact O-C 3.42Å; V59-G199 WeakPolarHBondContact O-CA 3.34Å; V90-G199 VanDerWaalsContact CG2-O 3.3Å; V90-G199 WeakPolarHBondContact CG2-O 3.46Å; V90-G199 PolarHBondContact N-O 3.39Å; S91-G199 PolarHBondContact OG-N 3.18Å
200F97.4Very high92.9Very high0 Ų023.9 Ų23.90%012%0.118CC..EExtended strand (participates in β ladder)trans-124.5141.5173.9-67.1-82.9000110.6T58 V59 F61 L87 K88 A89 L93 V98 V100 F149 I155 V191T58-F200 CarbonylContact C-O 3.58Å; T58-F200 WeakPolarHBondContact CA-O 3.21Å; V59-F200 HydrophobicContact CG1-CB 4.06Å; V59-F200 PolarHBondContact N-O 3.12Å; V59-F200 PolarHBondContact O-N 2.88Å; F61-F200 HydrophobicContact CE2-CD2 4.11Å; L87-F200 HydrophobicContact CB-CD1 4.09Å; K88-F200 WeakPolarHBondContact O-CA 3.29Å; A89-F200 HydrophobicContact CB-CD1 4.28Å; A89-F200 HydrophobicContact CB-CE1 4.02Å; L93-F200 HydrophobicContact CD1-CZ 4.4Å; V98-F200 HydrophobicContact CG1-CE2 3.37Å; V98-F200 HydrophobicContact CG1-CZ 3.47Å; V98-F200 VanDerWaalsContact CG1-CZ 3.47Å; V100-F200 HydrophobicContact CG2-CE1 4.1Å; V100-F200 HydrophobicContact CG2-CZ 4.04Å; F149-F200 HydrophobicContact CE2-CE1 4.01Å; F149-F200 AromaticContact CE2-CZ 3.89Å; F149-F200 HydrophobicContact CE2-CZ 3.89Å; F149-F200 HydrophobicContact CZ-CZ 4.5Å; I155-F200 HydrophobicContact CD1-CE1 4Å; V191-F200 HydrophobicContact CB-CD2 4.4Å; V191-F200 HydrophobicContact CG1-CD2 4.27Å; V191-F200 HydrophobicContact CG1-CE2 4.49Å
201R96.3Very high92.1Very high3 Ų326.5 Ų26.51%0.01114%0.135CC..EExtended strand (participates in β ladder)trans-106125.6168.2-177-178-62.9134.46.2109.5L24 C26 R27 E30 E54 T58 L87 K88 V90 I203L24-R201 PolarHBondContact O-NH2 2.78Å; L24-R201 VanDerWaalsContact O-NH2 3.08Å; C26-R201 PolarHBondContact O-NH1 3.09Å; C26-R201 VanDerWaalsContact O-NH1 3.11Å; R27-R201 VanDerWaalsContact NH1-CD 3.26Å; R27-R201 VanDerWaalsContact NH1-CZ 3.34Å; E30-R201 VanDerWaalsContact OE1-CD 3.32Å; E30-R201 WeakPolarHBondContact OE1-CD 3.38Å; E30-R201 IonicContact OE1-CZ 3.8Å; E30-R201 IonicContact OE1-NE 3.38Å; E30-R201 IonicContact OE1-NH1 3.71Å; E30-R201 PolarHBondContact OE1-NH1 2.92Å; E30-R201 WeakPolarHBondContact OE2-CD 3.5Å; E30-R201 IonicContact OE2-NH1 3.89Å; E54-R201 IonicContact OE1-CZ 3.93Å; E54-R201 IonicContact OE1-NE 2.86Å; E54-R201 PolarHBondContact OE1-NE 2.86Å; E54-R201 IonicContact OE1-NH2 3.22Å; E54-R201 PolarHBondContact OE1-NH2 2.84Å; E54-R201 VanDerWaalsContact OE1-NH2 3.08Å; E54-R201 IonicContact OE2-NE 3.2Å; E54-R201 PolarHBondContact OE2-NE 3.45Å; T58-R201 WeakPolarHBondContact OG1-CG 3.36Å; L87-R201 CarbonylContact C-O 3.58Å; L87-R201 WeakPolarHBondContact CA-O 3.38Å; K88-R201 HydrophobicContact CB-CB 4.47Å; K88-R201 PolarHBondContact N-O 3.22Å; K88-R201 PolarHBondContact O-N 3.45Å; V90-R201 HydrophobicContact CG1-CB 3.8Å; R201-I203 HydrophobicContact CB-CG2 4.33Å; R201-I203 HydrophobicContact CG-CG2 3.94Å; R201-I203 PolarHBondContact O-N 2.89Å
202L97Very high91.3Very high2 Ų230.4 Ų30.41%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-74.1108.2169.4-177.964.7000109L36 W38 K57 W85 L87 R204 A205L36-L202 HydrophobicContact CD1-CD2 4.13Å; L36-L202 HydrophobicContact CD1-CG 4.18Å; L36-L202 HydrophobicContact CD2-CG 4.35Å; W38-L202 HydrophobicContact CD2-CD2 4.19Å; W38-L202 HydrophobicContact CE3-CD2 3.65Å; W38-L202 HydrophobicContact CH2-CD1 3.61Å; W38-L202 HydrophobicContact CH2-CD2 3.95Å; W38-L202 HydrophobicContact CH2-CG 4.43Å; W38-L202 HydrophobicContact CZ2-CD1 3.97Å; W38-L202 HydrophobicContact CZ2-CD2 4.46Å; W38-L202 HydrophobicContact CZ3-CD1 4.05Å; W38-L202 HydrophobicContact CZ3-CD2 3.52Å; W38-L202 HydrophobicContact CZ3-CG 4.41Å; W38-L202 VanDerWaalsContact O-CD2 3.23Å; W38-L202 WeakPolarHBondContact O-CD2 3.27Å; K57-L202 WeakPolarHBondContact O-CB 3.47Å; K57-L202 PolarHBondContact O-N 2.76Å; W85-L202 HydrophobicContact CB-CD1 4.23Å; L87-L202 HydrophobicContact CD2-CB 4.19Å; L87-L202 HydrophobicContact CD2-CD1 3.55Å; L87-L202 HydrophobicContact CD2-CG 4.5Å; L202-R204 VanDerWaalsContact CD1-O 3.27Å; L202-R204 WeakPolarHBondContact CD1-O 3.48Å; L202-A205 HydrophobicContact CD1-CB 4.26Å; L202-A205 HydrophobicContact CD2-CB 4.22Å; L202-A205 HydrophobicContact CG-CB 4.47Å
203I93.7Very high90.3Very high10 Ų1034 Ų345%0.05117%0.172CC..EExtended strand (participates in β ladder)trans-102.1-18.8-176.166.2169.7000112.3E30 E86 K88 I154 R201E30-I203 HydrophobicContact CG-CB 4.05Å; E30-I203 HydrophobicContact CG-CG2 3.61Å; E86-I203 HydrophobicContact CB-CD1 4.01Å; E86-I203 HydrophobicContact CB-CG1 3.63Å; E86-I203 WeakPolarHBondContact O-CG1 3.47Å; E86-I203 PolarHBondContact O-N 3.48Å; K88-I203 HydrophobicContact CB-CD1 4.47Å; K88-I203 HydrophobicContact CB-CG2 3.91Å; I154-I203 HydrophobicContact CD1-CD1 3.95Å; I154-I203 HydrophobicContact CG1-CD1 4.29Å; I154-I203 HydrophobicContact CG2-CD1 3.93Å; R201-I203 HydrophobicContact CB-CG2 4.33Å; R201-I203 HydrophobicContact CG-CG2 3.94Å; R201-I203 PolarHBondContact O-N 2.89Å
204R92.5Very high89.2Confident40 Ų4034.6 Ų34.615%0.15117%0.174CC..EExtended strand (participates in β ladder)trans-151141.2175.8-170.9-177.3-65.4-79.7-4.7110.8W85 E86 L202 K206W85-R204 CarbonylContact C-O 3.59Å; W85-R204 WeakPolarHBondContact CA-O 3.37Å; W85-R204 WeakPolarHBondContact CB-O 3.08Å; E86-R204 HydrophobicContact CB-CB 3.93Å; E86-R204 HydrophobicContact CG-CB 4.2Å; E86-R204 PolarHBondContact N-O 3.27Å; E86-R204 PolarHBondContact O-N 3.46Å; E86-R204 WeakPolarHBondContact OE2-CD 3.28Å; E86-R204 IonicContact OE2-CZ 3.71Å; E86-R204 IonicContact OE2-NE 2.72Å; E86-R204 PolarHBondContact OE2-NE 2.79Å; E86-R204 IonicContact OE2-NH2 3.43Å; L202-R204 VanDerWaalsContact CD1-O 3.27Å; L202-R204 WeakPolarHBondContact CD1-O 3.48Å; R204-K206 HydrophobicContact CG-CG 4.43Å
205A93.9Very high88.3Confident1 Ų135.1 Ų35.11%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-153.5108.1171.900000108.9L36 E37 W38 W85 L202L36-A205 HydrophobicContact CB-CB 4.3Å; L36-A205 HydrophobicContact CD2-CB 4.12Å; E37-A205 PolarHBondContact N-O 2.9Å; E37-A205 VanDerWaalsContact N-O 3.08Å; W38-A205 HydrophobicContact CD2-CB 4.11Å; W38-A205 HydrophobicContact CG-CB 4.16Å; W38-A205 HydrophobicContact CZ2-CB 4.25Å; W85-A205 HydrophobicContact CB-CB 4.47Å; L202-A205 HydrophobicContact CD1-CB 4.26Å; L202-A205 HydrophobicContact CD2-CB 4.22Å; L202-A205 HydrophobicContact CG-CB 4.47Å
206K90.1Very high87.4Confident31 Ų3136.9 Ų36.914%0.13519%0.186CC..EExtended strand (participates in β ladder)trans-140.4149.3-176.6-68.1-65.4-168.7-177.70112.1E34 P35 E37 F84 R204 Y208E34-K206 WeakPolarHBondContact OE2-CE 3.5Å; E34-K206 IonicContact OE2-NZ 3.63Å; E34-K206 PolarHBondContact OE2-NZ 2.87Å; P35-K206 WeakPolarHBondContact O-CE 3.37Å; P35-K206 PolarHBondContact O-NZ 2.82Å; E37-K206 HydrophobicContact CG-CD 4.46Å; E37-K206 WeakPolarHBondContact OE1-CA 3.19Å; F84-K206 PolarHBondContact N-O 2.89Å; F84-K206 PolarHBondContact O-N 3.3Å; R204-K206 HydrophobicContact CG-CG 4.43Å; K206-Y208 HydrophobicContact CB-CE2 3.61Å; K206-Y208 WeakPolarHBondContact CB-OH 3.37Å
207S90.9Very high86.4Confident38 Ų3834.5 Ų34.527%0.26617%0.174SC..EExtended strand (participates in β ladder)trans-122.3145.6175.9-51.40000110.1E37 L82 H83E37-S207 PolarHBondContact OE1-N 3.4Å; E37-S207 WeakPolarHBondContact OE2-CB 3.39Å; E37-S207 PolarHBondContact OE2-N 3.35Å; E37-S207 PolarHBondContact OE2-OG 2.71Å; L82-S207 CarbonylContact O-C 3.58Å; L82-S207 VanDerWaalsContact O-CA 3.24Å; L82-S207 WeakPolarHBondContact O-CA 3.47Å; H83-S207 WeakPolarHBondContact ND1-CB 3.45Å; H83-S207 PolarHBondContact ND1-OG 3.37Å
208Y85.6Confident85.3Confident40 Ų4029.3 Ų29.316%0.15716%0.155CC..EExtended strand (participates in β ladder)trans-133.2129.2-177.4-55.3-91000109.6L82 F84 K206 T252 L253 P254L82-Y208 PolarHBondContact N-O 3.33Å; L82-Y208 PolarHBondContact O-N 3.35Å; F84-Y208 HydrophobicContact CB-CE2 4.49Å; K206-Y208 HydrophobicContact CB-CE2 3.61Å; K206-Y208 WeakPolarHBondContact CB-OH 3.37Å; Y208-T252 HydrophobicContact CD1-CG2 3.78Å; Y208-T252 HydrophobicContact CE1-CG2 3.9Å; Y208-L253 VanDerWaalsContact OH-CB 3.23Å; Y208-L253 WeakPolarHBondContact OH-CB 3.32Å; Y208-P254 HydrophobicContact CD1-CG 3.87Å; Y208-P254 HydrophobicContact CD2-CG 3.17Å; Y208-P254 HydrophobicContact CE1-CG 4.1Å; Y208-P254 HydrophobicContact CE2-CG 3.43Å; Y208-P254 VanDerWaalsContact CE2-CG 3.43Å; Y208-P254 HydrophobicContact CG-CG 3.4Å; Y208-P254 VanDerWaalsContact CG-CG 3.4Å
209P85Confident84.1Confident93 Ų9330.6 Ų30.660%0.60416%0.16SC*.  trans-67.1143.4173.929.1-33.9000110T211P209-T211 HydrophobicContact CG-CG2 4.44Å; P209-T211 PolarHBondContact O-N 3.03Å
210I81.4Confident82.8Confident35 Ų3532.8 Ų32.818%0.17917%0.17CC..  trans-77.9116.4169.9-65.8-84.4000107.7L82 W162 Y214 L215L82-I210 HydrophobicContact CD1-CD1 3.98Å; L82-I210 HydrophobicContact CD2-CD1 3.73Å; L82-I210 HydrophobicContact CG-CD1 3.58Å; L82-I210 HydrophobicContact CG-CG1 4.29Å; W162-I210 HydrophobicContact CB-CD1 3.85Å; W162-I210 HydrophobicContact CB-CG1 3.78Å; W162-I210 HydrophobicContact CB-CG2 4.38Å; W162-I210 HydrophobicContact CD2-CG2 3.77Å; W162-I210 HydrophobicContact CE3-CB 4.34Å; W162-I210 HydrophobicContact CE3-CG2 3.9Å; W162-I210 HydrophobicContact CG-CD1 4.34Å; W162-I210 HydrophobicContact CG-CG1 4.32Å; W162-I210 HydrophobicContact CG-CG2 3.99Å; W162-I210 HydrophobicContact CZ3-CG2 4.48Å; I210-Y214 HydrophobicContact CD1-CD1 3.77Å; I210-Y214 HydrophobicContact CD1-CE1 3.57Å; I210-L215 HydrophobicContact CG2-CD1 4.11Å; I210-L215 HydrophobicContact CG2-CD2 3.9Å; I210-L215 HydrophobicContact CG2-CG 3.95Å
211T80.3Confident81.1Confident63 Ų6332.9 Ų32.939%0.38717%0.17SC..  trans-112157.5177.265.60000110.1P209 Q213 Y214 L215P209-T211 HydrophobicContact CG-CG2 4.44Å; P209-T211 PolarHBondContact O-N 3.03Å; T211-Q213 PolarHBondContact O-N 2.82Å; T211-Y214 WeakPolarHBondContact O-CB 3.36Å; T211-Y214 PolarHBondContact O-N 3.12Å; T211-Y214 VanDerWaalsContact O-N 3.1Å; T211-Y214 WeakPolarHBondContact OG1-CB 3.27Å; T211-Y214 PolarHBondContact OG1-N 3.38Å; T211-Y214 VanDerWaalsContact OG1-N 3.08Å; T211-L215 WeakPolarHBondContact O-CG 3.49Å; T211-L215 PolarHBondContact O-N 3.3Å
212L81.4Confident79.6Confident83 Ų8334.9 Ų34.944%0.43518%0.179SC..Hα-helixtrans-57.3-41.3172.4179.962.4000110.9Y214 L215 I216 A372L212-Y214 VanDerWaalsContact C-N 3.29Å; L212-Y214 PolarHBondContact O-N 3.38Å; L212-L215 PolarHBondContact O-N 2.86Å; L212-L215 VanDerWaalsContact O-N 3.15Å; L212-I216 HydrophobicContact CD1-CD1 4.24Å; L212-I216 HydrophobicContact CD1-CG1 4.19Å; L212-I216 HydrophobicContact CD2-CD1 4.44Å; L212-I216 HydrophobicContact CG-CD1 3.89Å; L212-I216 HydrophobicContact CG-CG1 4.26Å; L212-I216 WeakPolarHBondContact O-CG1 3.44Å; L212-I216 PolarHBondContact O-N 3.1Å; L212-A372 HydrophobicContact CD1-CB 3.56Å; L212-A372 HydrophobicContact CD2-CB 4.04Å; L212-A372 HydrophobicContact CG-CB 4.46Å
213Q75.1Confident77.9Confident76 Ų7638 Ų3836%0.35519%0.194SC..Hα-helixtrans-56-43.4175.5-177.5-179.5-1200112.1T211 C217 L245T211-Q213 PolarHBondContact O-N 2.82Å; Q213-C217 PolarHBondContact O-N 2.89Å; Q213-C217 VanDerWaalsContact O-N 3.1Å; Q213-C217 PolarHBondContact O-SG 3.16Å; Q213-L245 HydrophobicContact CG-CD1 4.21Å
214Y72.5Confident76.1Confident12 Ų1240.3 Ų40.35%0.04721%0.205CC..Hα-helixtrans-60.7-50174.9169.7-89.2000111.5L82 I210 T211 L212 I216 C217 Q218 H255L82-Y214 HydrophobicContact CD1-CD2 4.03Å; L82-Y214 HydrophobicContact CD1-CE1 3.96Å; L82-Y214 HydrophobicContact CD1-CE2 3.35Å; L82-Y214 WeakPolarHBondContact CD1-OH 3.15Å; I210-Y214 HydrophobicContact CD1-CD1 3.77Å; I210-Y214 HydrophobicContact CD1-CE1 3.57Å; T211-Y214 WeakPolarHBondContact O-CB 3.36Å; T211-Y214 PolarHBondContact O-N 3.12Å; T211-Y214 VanDerWaalsContact O-N 3.1Å; T211-Y214 WeakPolarHBondContact OG1-CB 3.27Å; T211-Y214 PolarHBondContact OG1-N 3.38Å; T211-Y214 VanDerWaalsContact OG1-N 3.08Å; L212-Y214 VanDerWaalsContact C-N 3.29Å; L212-Y214 PolarHBondContact O-N 3.38Å; Y214-I216 VanDerWaalsContact C-N 3.31Å; Y214-I216 PolarHBondContact O-N 2.77Å; Y214-C217 PolarHBondContact O-N 3.47Å; Y214-C217 VanDerWaalsContact O-N 3.16Å; Y214-Q218 HydrophobicContact CD1-CG 4.13Å; Y214-Q218 HydrophobicContact CD2-CG 4.46Å; Y214-Q218 HydrophobicContact CE1-CG 3.57Å; Y214-Q218 HydrophobicContact CE2-CG 3.94Å; Y214-Q218 VanDerWaalsContact CZ-CG 3.45Å; Y214-Q218 WeakPolarHBondContact O-CG 3.36Å; Y214-Q218 PolarHBondContact O-N 3.13Å; Y214-Q218 PolarHBondContact OH-NE2 3.37Å; Y214-H255 AromaticContact CD2-CE1 3.34Å; Y214-H255 WeakPolarHBondContact CD2-CE1 3.4Å; Y214-H255 AromaticContact CD2-NE2 3.33Å; Y214-H255 VanDerWaalsContact CD2-NE2 3.33Å; Y214-H255 WeakPolarHBondContact CD2-NE2 3.36Å; Y214-H255 AromaticContact CE2-CE1 3.89Å
215L75.9Confident74.3Confident19 Ų1942.4 Ų42.410%0.09922%0.216CC..Hα-helixtrans-60.1-41.7-178.9-66.4175.1000111.9W162 I210 T211 L212 Q218 Y219 A369W162-L215 HydrophobicContact CZ2-CD1 4.01Å; I210-L215 HydrophobicContact CG2-CD1 4.11Å; I210-L215 HydrophobicContact CG2-CD2 3.9Å; I210-L215 HydrophobicContact CG2-CG 3.95Å; T211-L215 WeakPolarHBondContact O-CG 3.49Å; T211-L215 PolarHBondContact O-N 3.3Å; L212-L215 PolarHBondContact O-N 2.86Å; L212-L215 VanDerWaalsContact O-N 3.15Å; L215-Q218 PolarHBondContact O-N 2.64Å; L215-Y219 WeakPolarHBondContact O-CB 3.36Å; L215-Y219 PolarHBondContact O-N 3.35Å; L215-A369 HydrophobicContact CD1-CB 3.88Å
216I73.3Confident72.4Confident39 Ų3947.1 Ų47.120%0.224%0.236CC..Hα-helixtrans-59.4-51.1175.3-68.8179.2000110.2L212 Y214 Q218 Y219 F220 L376L212-I216 HydrophobicContact CD1-CD1 4.24Å; L212-I216 HydrophobicContact CD1-CG1 4.19Å; L212-I216 HydrophobicContact CD2-CD1 4.44Å; L212-I216 HydrophobicContact CG-CD1 3.89Å; L212-I216 HydrophobicContact CG-CG1 4.26Å; L212-I216 WeakPolarHBondContact O-CG1 3.44Å; L212-I216 PolarHBondContact O-N 3.1Å; Y214-I216 VanDerWaalsContact C-N 3.31Å; Y214-I216 PolarHBondContact O-N 2.77Å; I216-Q218 VanDerWaalsContact C-N 3.29Å; I216-Q218 PolarHBondContact O-N 3.28Å; I216-Y219 PolarHBondContact O-N 2.93Å; I216-Y219 VanDerWaalsContact O-N 3.15Å; I216-F220 HydrophobicContact CG2-CD2 3.54Å; I216-F220 HydrophobicContact CG2-CE2 3.48Å; I216-F220 VanDerWaalsContact CG2-CE2 3.48Å; I216-F220 VanDerWaalsContact O-CD2 3.28Å; I216-F220 WeakPolarHBondContact O-CD2 3.37Å; I216-F220 PolarHBondContact O-N 2.98Å; I216-L376 HydrophobicContact CB-CD1 4.46Å; I216-L376 HydrophobicContact CD1-CD1 3.73Å; I216-L376 HydrophobicContact CD1-CD2 4.3Å; I216-L376 HydrophobicContact CG1-CD1 3.49Å; I216-L376 VanDerWaalsContact CG1-CD1 3.49Å; I216-L376 HydrophobicContact CG2-CD1 4.41Å
217C70.2Confident70.4Confident6 Ų652.2 Ų52.24%0.04126%0.261CS..Hα-helixtrans-61.6-39.3-178.9-65.70000112Q213 Y214 L221 L249 F259Q213-C217 PolarHBondContact O-N 2.89Å; Q213-C217 VanDerWaalsContact O-N 3.1Å; Q213-C217 PolarHBondContact O-SG 3.16Å; Y214-C217 PolarHBondContact O-N 3.47Å; Y214-C217 VanDerWaalsContact O-N 3.16Å; C217-L221 WeakPolarHBondContact O-CB 3.31Å; C217-L221 WeakPolarHBondContact O-CD1 3.38Å; C217-L221 VanDerWaalsContact O-CG 3.26Å; C217-L221 WeakPolarHBondContact O-CG 3.37Å; C217-L221 PolarHBondContact O-N 3Å; C217-L221 VanDerWaalsContact O-N 3.17Å; C217-L249 HydrophobicContact CB-CD2 3.95Å; C217-L249 VanDerWaalsContact SG-CD2 3.52Å; C217-F259 HydrophobicContact CB-CZ 4.36Å
218Q70.3Confident68.1Low23 Ų2355.6 Ų55.611%0.10728%0.282CS..Hα-helixtrans-63.7-43.1173.5-74.4-65.8-4.400112.7Y214 L215 I216 L221 H222Y214-Q218 HydrophobicContact CD1-CG 4.13Å; Y214-Q218 HydrophobicContact CD2-CG 4.46Å; Y214-Q218 HydrophobicContact CE1-CG 3.57Å; Y214-Q218 HydrophobicContact CE2-CG 3.94Å; Y214-Q218 VanDerWaalsContact CZ-CG 3.45Å; Y214-Q218 WeakPolarHBondContact O-CG 3.36Å; Y214-Q218 PolarHBondContact O-N 3.13Å; Y214-Q218 PolarHBondContact OH-NE2 3.37Å; L215-Q218 PolarHBondContact O-N 2.64Å; I216-Q218 VanDerWaalsContact C-N 3.29Å; I216-Q218 PolarHBondContact O-N 3.28Å; Q218-L221 WeakPolarHBondContact O-CB 3.4Å; Q218-L221 PolarHBondContact O-N 3.19Å; Q218-H222 PolarHBondContact O-N 2.72Å
219Y68Low66Low27 Ų2756.1 Ų56.111%0.10629%0.291CS..Hα-helixtrans-62.6-48.9177.5177.8-103.7000112.2L215 I216 L221 H222 Q223 D377 F380L215-Y219 WeakPolarHBondContact O-CB 3.36Å; L215-Y219 PolarHBondContact O-N 3.35Å; I216-Y219 PolarHBondContact O-N 2.93Å; I216-Y219 VanDerWaalsContact O-N 3.15Å; Y219-L221 PolarHBondContact O-N 3.19Å; Y219-H222 PolarHBondContact O-N 3.11Å; Y219-H222 VanDerWaalsContact O-N 3.16Å; Y219-Q223 HydrophobicContact CD1-CG 4.2Å; Y219-Q223 HydrophobicContact CD2-CG 4.31Å; Y219-Q223 HydrophobicContact CE1-CG 3.8Å; Y219-Q223 HydrophobicContact CE2-CG 3.89Å; Y219-Q223 VanDerWaalsContact CE2-NE2 3.27Å; Y219-Q223 HydrophobicContact CG-CG 4.46Å; Y219-Q223 WeakPolarHBondContact O-CG 3.14Å; Y219-Q223 PolarHBondContact O-N 3.45Å; Y219-Q223 PolarHBondContact OH-NE2 3.5Å; Y219-D377 PolarHBondContact OH-OD1 2.73Å; Y219-F380 HydrophobicContact CD1-CE2 4.48Å; Y219-F380 HydrophobicContact CE1-CE2 4.06Å
220F67.8Low63.9Low48 Ų4857.5 Ų57.521%0.21130%0.3CS..Hα-helixtrans-53.6-42.1175.9-92.2-81.5000111.8I216 Q224 F380I216-F220 HydrophobicContact CG2-CD2 3.54Å; I216-F220 HydrophobicContact CG2-CE2 3.48Å; I216-F220 VanDerWaalsContact CG2-CE2 3.48Å; I216-F220 VanDerWaalsContact O-CD2 3.28Å; I216-F220 WeakPolarHBondContact O-CD2 3.37Å; I216-F220 PolarHBondContact O-N 2.98Å; F220-Q224 PolarHBondContact O-N 3Å; F220-F380 HydrophobicContact CD1-CE1 4.11Å; F220-F380 AromaticContact CD1-CZ 3.72Å; F220-F380 HydrophobicContact CD1-CZ 3.72Å; F220-F380 HydrophobicContact CD2-CZ 4.33Å; F220-F380 AromaticContact CE1-CE1 3.3Å; F220-F380 HydrophobicContact CE1-CE1 3.3Å; F220-F380 HydrophobicContact CE1-CE2 4.39Å; F220-F380 AromaticContact CE1-CZ 3.11Å; F220-F380 HydrophobicContact CE1-CZ 3.11Å; F220-F380 HydrophobicContact CE2-CE2 4.47Å; F220-F380 AromaticContact CE2-CZ 3.77Å; F220-F380 HydrophobicContact CE2-CZ 3.77Å; F220-F380 HydrophobicContact CG-CZ 4.31Å; F220-F380 AromaticContact CZ-CE1 3.6Å; F220-F380 HydrophobicContact CZ-CE1 3.6Å; F220-F380 HydrophobicContact CZ-CE2 4.12Å; F220-F380 AromaticContact CZ-CZ 3.12Å; F220-F380 HydrophobicContact CZ-CZ 3.12Å
221L62.8Low61.9Low2 Ų264 Ų641%0.0133%0.329CS..Hα-helixtrans-64.1-48.4177.7-81.9169.1000112.8C217 Q218 Y219 Q223 Q224 Q225 F234 F259 I262C217-L221 WeakPolarHBondContact O-CB 3.31Å; C217-L221 WeakPolarHBondContact O-CD1 3.38Å; C217-L221 VanDerWaalsContact O-CG 3.26Å; C217-L221 WeakPolarHBondContact O-CG 3.37Å; C217-L221 PolarHBondContact O-N 3Å; C217-L221 VanDerWaalsContact O-N 3.17Å; Q218-L221 WeakPolarHBondContact O-CB 3.4Å; Q218-L221 PolarHBondContact O-N 3.19Å; Y219-L221 PolarHBondContact O-N 3.19Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 3.27Å; L221-Q224 PolarHBondContact O-N 2.8Å; L221-Q225 PolarHBondContact O-N 3.11Å; L221-F234 HydrophobicContact CD2-CD2 3.62Å; L221-F234 HydrophobicContact CD2-CE1 4.31Å; L221-F234 HydrophobicContact CD2-CE2 3.33Å; L221-F234 HydrophobicContact CD2-CG 4.24Å; L221-F234 HydrophobicContact CD2-CZ 3.73Å; L221-F234 HydrophobicContact CG-CE2 4.23Å; L221-F259 HydrophobicContact CD1-CD1 3.53Å; L221-F259 HydrophobicContact CD1-CE1 3.1Å; L221-F259 HydrophobicContact CD1-CG 4.45Å; L221-F259 HydrophobicContact CD1-CZ 3.71Å; L221-F259 HydrophobicContact CD2-CD1 3.54Å; L221-F259 HydrophobicContact CD2-CE1 3.49Å; L221-F259 VanDerWaalsContact CD2-CE1 3.49Å; L221-F259 HydrophobicContact CG-CD1 3.97Å; L221-F259 HydrophobicContact CG-CE1 3.48Å; L221-F259 VanDerWaalsContact CG-CE1 3.48Å; L221-F259 HydrophobicContact CG-CZ 4.38Å; L221-I262 HydrophobicContact CB-CD1 3.71Å; L221-I262 HydrophobicContact CD1-CD1 3.71Å; L221-I262 HydrophobicContact CD2-CD1 3.87Å; L221-I262 HydrophobicContact CD2-CG2 4Å; L221-I262 HydrophobicContact CG-CD1 3.98Å
222H63.3Low59.7Low45 Ų4564.6 Ų64.621%0.20833%0.333CS..Hα-helixtrans-61.8-42179.3-178.369.7000111.9Q218 Y219 Q224 Q225 K226Q218-H222 PolarHBondContact O-N 2.72Å; Y219-H222 PolarHBondContact O-N 3.11Å; Y219-H222 VanDerWaalsContact O-N 3.16Å; H222-Q224 VanDerWaalsContact C-N 3.3Å; H222-Q224 PolarHBondContact O-N 3.02Å; H222-Q225 WeakPolarHBondContact O-CB 3.41Å; H222-Q225 PolarHBondContact O-N 3.4Å; H222-Q225 VanDerWaalsContact O-N 3.16Å; H222-K226 WeakPolarHBondContact NE2-CE 3.34Å; H222-K226 PolarHBondContact NE2-NZ 2.98Å; H222-K226 VanDerWaalsContact NE2-NZ 3.1Å; H222-K226 PolarHBondContact O-N 3.15Å
223Q62.7Low57.7Low68 Ų6864.8 Ų64.832%0.31834%0.34SS..Hα-helixtrans-63.1-35178.6-72.1-64.1-4.800113Y219 L221 Q225 K226Y219-Q223 HydrophobicContact CD1-CG 4.2Å; Y219-Q223 HydrophobicContact CD2-CG 4.31Å; Y219-Q223 HydrophobicContact CE1-CG 3.8Å; Y219-Q223 HydrophobicContact CE2-CG 3.89Å; Y219-Q223 VanDerWaalsContact CE2-NE2 3.27Å; Y219-Q223 HydrophobicContact CG-CG 4.46Å; Y219-Q223 WeakPolarHBondContact O-CG 3.14Å; Y219-Q223 PolarHBondContact O-N 3.45Å; Y219-Q223 PolarHBondContact OH-NE2 3.5Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 3.27Å; Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 2.86Å; Q223-K226 PolarHBondContact O-N 3.47Å
224Q55.1Low56.1Low58 Ų5862 Ų6227%0.27133%0.327SS..Hα-helixtrans-70.6-27.2176.4-70.8-152.9-16.400113.3F220 L221 H222 Q227F220-Q224 PolarHBondContact O-N 3Å; L221-Q224 PolarHBondContact O-N 2.8Å; H222-Q224 VanDerWaalsContact C-N 3.3Å; H222-Q224 PolarHBondContact O-N 3.02Å; Q224-Q227 PolarHBondContact O-N 2.97Å
225Q54.2Low54.8Low83 Ų8364.9 Ų64.939%0.38834%0.343SS..Hα-helixtrans-68.8-35.1172.8-68.1179.8-22.800112.4L221 H222 Q223 Q227 I262L221-Q225 PolarHBondContact O-N 3.11Å; H222-Q225 WeakPolarHBondContact O-CB 3.41Å; H222-Q225 PolarHBondContact O-N 3.4Å; H222-Q225 VanDerWaalsContact O-N 3.16Å; Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 2.86Å; Q225-Q227 PolarHBondContact O-N 3.49Å; Q225-I262 HydrophobicContact CG-CG2 4.26Å
226K55.3Low53.2Low101 Ų10165.1 Ų65.144%0.43934%0.344SS..Hα-helixtrans-69-15.6177-75.6-178.8168.6167.30113.2H222 Q223 P228 D285H222-K226 WeakPolarHBondContact NE2-CE 3.34Å; H222-K226 PolarHBondContact NE2-NZ 2.98Å; H222-K226 VanDerWaalsContact NE2-NZ 3.1Å; H222-K226 PolarHBondContact O-N 3.15Å; Q223-K226 PolarHBondContact O-N 3.47Å; K226-P228 WeakPolarHBondContact O-CD 3.23Å; K226-D285 IonicContact NZ-OD2 2.89Å
227Q47.9Very low51.9Low138 Ų13867.4 Ų67.465%0.64536%0.36SS*.  trans-103.492.7173.8-66-166.5-0.200110.4Q224 Q225 S229Q224-Q227 PolarHBondContact O-N 2.97Å; Q225-Q227 PolarHBondContact O-N 3.49Å; Q227-S229 PolarHBondContact O-N 2.93Å
228P42.4Very low50.8Low109 Ų10971.4 Ų71.471%0.70839%0.385SS*.  trans-74.568.4173.533.5-35.1000109.2K226K226-P228 WeakPolarHBondContact O-CD 3.23Å
229S41.3Very low49.9Very low51 Ų5171.9 Ų71.936%0.35739%0.388SS..  trans-89.2122.6163.359.80000107.1Q227 H231 T232Q227-S229 PolarHBondContact O-N 2.93Å; S229-H231 PolarHBondContact O-N 2.8Å; S229-T232 PolarHBondContact O-N 2.86Å; S229-T232 PolarHBondContact OG-OG1 2.54Å
230P41.8Very low49.5Very low121 Ų12180.2 Ų80.279%0.78642%0.424SS*.THydrogen-bonded Turntrans-65.24.3-172.523.3-32.7000115
231H38.2Very low49.2Very low172 Ų17279.6 Ų79.680%0.79642%0.422SS*.THydrogen-bonded Turntrans-126.7-1.5-174.9-60.7-45.9000115.1S229 C233S229-H231 PolarHBondContact O-N 2.8Å; H231-C233 VanDerWaalsContact C-N 3.27Å; H231-C233 PolarHBondContact O-N 2.84Å; H231-C233 VanDerWaalsContact O-N 3.07Å
232T35.4Very low49.3Very low75 Ų7584 Ų8446%0.4645%0.45SS..  trans-91.968.9178.1-41.90000110S229 F234S229-T232 PolarHBondContact O-N 2.86Å; S229-T232 PolarHBondContact OG-OG1 2.54Å; T232-F234 PolarHBondContact O-N 2.82Å
233C37.6Very low49.5Very low87 Ų8785 Ų8559%0.58847%0.467SS*.  trans-58.5128.1163.6179.60000108.1H231 N235H231-C233 VanDerWaalsContact C-N 3.27Å; H231-C233 PolarHBondContact O-N 2.84Å; H231-C233 VanDerWaalsContact O-N 3.07Å; C233-N235 PolarHBondContact O-N 2.8Å
234F43.1Very low49.5Very low19 Ų1983.8 Ų83.88%0.08347%0.472CS..  trans-62.891.4170.3-171.3-94.2000108.3L221 T232 L236 L239 F259 Q263L221-F234 HydrophobicContact CD2-CD2 3.62Å; L221-F234 HydrophobicContact CD2-CE1 4.31Å; L221-F234 HydrophobicContact CD2-CE2 3.33Å; L221-F234 HydrophobicContact CD2-CG 4.24Å; L221-F234 HydrophobicContact CD2-CZ 3.73Å; L221-F234 HydrophobicContact CG-CE2 4.23Å; T232-F234 PolarHBondContact O-N 2.82Å; F234-L236 HydrophobicContact CE1-CD2 3.66Å; F234-L236 HydrophobicContact CE1-CG 3.7Å; F234-L236 HydrophobicContact CZ-CD2 3.74Å; F234-L236 HydrophobicContact CZ-CG 4.28Å; F234-L239 HydrophobicContact CD2-CD1 4.33Å; F234-L239 HydrophobicContact CE2-CD1 3.67Å; F234-L239 HydrophobicContact CZ-CD1 4.31Å; F234-F259 HydrophobicContact CD1-CD1 4.15Å; F234-F259 AromaticContact CE1-CD1 3.28Å; F234-F259 HydrophobicContact CE1-CD1 3.28Å; F234-F259 AromaticContact CE1-CE1 3.66Å; F234-F259 HydrophobicContact CE1-CE1 3.66Å; F234-F259 HydrophobicContact CE1-CG 4.15Å; F234-F259 HydrophobicContact CE2-CD1 4.31Å; F234-F259 HydrophobicContact CE2-CE1 4.09Å; F234-F259 AromaticContact CZ-CD1 3.4Å; F234-F259 HydrophobicContact CZ-CD1 3.4Å; F234-F259 VanDerWaalsContact CZ-CD1 3.4Å; F234-F259 AromaticContact CZ-CE1 3.24Å; F234-F259 HydrophobicContact CZ-CE1 3.24Å; F234-F259 HydrophobicContact CZ-CZ 4.33Å; F234-Q263 HydrophobicContact CB-CG 4.23Å; F234-Q263 PolarHBondContact O-NE2 3.1Å
235N44Very low49.9Very low72 Ų7282.9 Ų82.939%0.38547%0.469SS..  trans-104.9117.6167.8-167.2-21.9000106.4C233 T237 T238 L239C233-N235 PolarHBondContact O-N 2.8Å; N235-T237 PolarHBondContact ND2-OG1 2.87Å; N235-T237 PolarHBondContact O-N 2.81Å; N235-T237 WeakPolarHBondContact OD1-CB 3.38Å; N235-T237 PolarHBondContact OD1-N 2.82Å; N235-T237 PolarHBondContact OD1-OG1 2.85Å; N235-T238 HydrophobicContact CB-CG2 3.96Å; N235-T238 PolarHBondContact O-N 3.32Å; N235-T238 PolarHBondContact O-OG1 3.1Å; N235-L239 PolarHBondContact O-N 2.87Å
236L43.7Very low50.3Low24 Ų2482.5 Ų82.513%0.12646%0.464CS..THydrogen-bonded Turntrans-55.3-11.7170.9-74.7165.9000112.6F234 F241 R246 L249 K250F234-L236 HydrophobicContact CE1-CD2 3.66Å; F234-L236 HydrophobicContact CE1-CG 3.7Å; F234-L236 HydrophobicContact CZ-CD2 3.74Å; F234-L236 HydrophobicContact CZ-CG 4.28Å; L236-F241 HydrophobicContact CD2-CD2 4.34Å; L236-R246 WeakPolarHBondContact O-CD 3.23Å; L236-L249 HydrophobicContact CD2-CB 4.44Å; L236-L249 HydrophobicContact CD2-CD1 3.96Å; L236-K250 HydrophobicContact CD1-CD 4.48Å; L236-K250 HydrophobicContact CD1-CG 3.79Å
237T45.5Very low50.6Low87 Ų8783.6 Ų83.653%0.53447%0.47SS..THydrogen-bonded Turntrans-86-25.5169.864.80000114.8N235N235-T237 PolarHBondContact ND2-OG1 2.87Å; N235-T237 PolarHBondContact O-N 2.81Å; N235-T237 WeakPolarHBondContact OD1-CB 3.38Å; N235-T237 PolarHBondContact OD1-N 2.82Å; N235-T237 PolarHBondContact OD1-OG1 2.85Å
238T47Very low51.3Low90 Ų9080.7 Ų80.755%0.55246%0.459SS*.THydrogen-bonded Turntrans-77.3-39177.849.30000111.6N235 K240N235-T238 HydrophobicContact CB-CG2 3.96Å; N235-T238 PolarHBondContact O-N 3.32Å; N235-T238 PolarHBondContact O-OG1 3.1Å; T238-K240 PolarHBondContact O-N 2.82Å
239L51.5Low52Low33 Ų3375.5 Ų75.517%0.17343%0.425CS..SBendtrans-71.4109.9161.6-64.7170.9000106.6F234 N235 F241F234-L239 HydrophobicContact CD2-CD1 4.33Å; F234-L239 HydrophobicContact CE2-CD1 3.67Å; F234-L239 HydrophobicContact CZ-CD1 4.31Å; N235-L239 PolarHBondContact O-N 2.87Å; L239-F241 HydrophobicContact CB-CD2 3.55Å; L239-F241 HydrophobicContact CB-CE2 3.45Å; L239-F241 VanDerWaalsContact CB-CE2 3.45Å; L239-F241 HydrophobicContact CB-CG 4.27Å; L239-F241 HydrophobicContact CB-CZ 4.08Å; L239-F241 HydrophobicContact CD1-CD2 4.33Å; L239-F241 HydrophobicContact CD1-CE2 3.41Å; L239-F241 VanDerWaalsContact CD1-CE2 3.41Å; L239-F241 HydrophobicContact CD1-CZ 3.82Å; L239-F241 HydrophobicContact CG-CE2 4.01Å; L239-F241 HydrophobicContact CG-CZ 4.43Å; L239-F241 PolarHBondContact O-N 2.83Å
240K58.9Low52.9Low201 Ų20179.3 Ų79.387%0.87444%0.435SS*.  trans-6850.2177.2-66.7-176.9179.2176.50111.8T238T238-K240 PolarHBondContact O-N 2.82Å
241F62.6Low53.5Low35 Ų3578.9 Ų78.915%0.15443%0.426CS..  trans-63.6140.9173.8-71.2-53.3000109.7L236 L239 L245 R246 L249L236-F241 HydrophobicContact CD2-CD2 4.34Å; L239-F241 HydrophobicContact CB-CD2 3.55Å; L239-F241 HydrophobicContact CB-CE2 3.45Å; L239-F241 VanDerWaalsContact CB-CE2 3.45Å; L239-F241 HydrophobicContact CB-CG 4.27Å; L239-F241 HydrophobicContact CB-CZ 4.08Å; L239-F241 HydrophobicContact CD1-CD2 4.33Å; L239-F241 HydrophobicContact CD1-CE2 3.41Å; L239-F241 VanDerWaalsContact CD1-CE2 3.41Å; L239-F241 HydrophobicContact CD1-CZ 3.82Å; L239-F241 HydrophobicContact CG-CE2 4.01Å; L239-F241 HydrophobicContact CG-CZ 4.43Å; L239-F241 PolarHBondContact O-N 2.83Å; F241-L245 HydrophobicContact CB-CD2 3.8Å; F241-L245 HydrophobicContact CD1-CD2 3.38Å; F241-L245 HydrophobicContact CD2-CD2 4.09Å; F241-L245 HydrophobicContact CE1-CD2 3.88Å; F241-L245 HydrophobicContact CE2-CD2 4.5Å; F241-L245 HydrophobicContact CG-CD2 3.5Å; F241-L245 VanDerWaalsContact CG-CD2 3.5Å; F241-L245 HydrophobicContact CZ-CD2 4.41Å; F241-R246 HydrophobicContact CB-CG 3.62Å; F241-R246 VanDerWaalsContact O-CZ 3.29Å; F241-R246 PolarHBondContact O-NE 2.8Å; F241-L249 HydrophobicContact CD2-CD1 4.36Å; F241-L249 HydrophobicContact CE2-CD1 4.3Å
242P63.4Low54.4Low94 Ų9472.6 Ų72.661%0.6140%0.4SS*.  trans-52147.2169.8-25.634.3000111.4G244 L245 R246P242-G244 VanDerWaalsContact C-N 3.29Å; P242-G244 PolarHBondContact O-N 2.9Å; P242-L245 PolarHBondContact O-N 3.22Å; P242-R246 PolarHBondContact O-N 2.94Å; P242-R246 VanDerWaalsContact O-N 3.15Å
243A67.7Low55.4Low68 Ų6870.5 Ų70.556%0.56239%0.386SS*.Hα-helixtrans-53.4-44.1-175.100000113.1L245 R246 E247A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 2.92Å; A243-R246 PolarHBondContact O-N 3.2Å; A243-E247 PolarHBondContact O-N 3.26Å
244G63.9Low56.1Low41 Ų4166.5 Ų66.542%0.42336%0.359SS..Hα-helixtrans-62.4-35.6178.400000113.7P242 E247 I248P242-G244 VanDerWaalsContact C-N 3.29Å; P242-G244 PolarHBondContact O-N 2.9Å; G244-E247 PolarHBondContact O-N 2.84Å; G244-I248 WeakPolarHBondContact O-CD1 3.41Å; G244-I248 VanDerWaalsContact O-CG1 3.27Å; G244-I248 WeakPolarHBondContact O-CG1 3.35Å; G244-I248 PolarHBondContact O-N 2.8Å
245L62.8Low56.3Low39 Ų3966 Ų6620%0.20436%0.357CS..Hα-helixtrans-71-40.1176.9-166.7122000111.1Q213 F241 P242 A243 E247 I248 L249Q213-L245 HydrophobicContact CG-CD1 4.21Å; F241-L245 HydrophobicContact CB-CD2 3.8Å; F241-L245 HydrophobicContact CD1-CD2 3.38Å; F241-L245 HydrophobicContact CD2-CD2 4.09Å; F241-L245 HydrophobicContact CE1-CD2 3.88Å; F241-L245 HydrophobicContact CE2-CD2 4.5Å; F241-L245 HydrophobicContact CG-CD2 3.5Å; F241-L245 VanDerWaalsContact CG-CD2 3.5Å; F241-L245 HydrophobicContact CZ-CD2 4.41Å; P242-L245 PolarHBondContact O-N 3.22Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 2.92Å; L245-E247 VanDerWaalsContact C-N 3.27Å; L245-E247 PolarHBondContact O-N 3.02Å; L245-I248 PolarHBondContact O-N 3.23Å; L245-L249 HydrophobicContact CD2-CD1 3.63Å; L245-L249 HydrophobicContact CD2-CG 4.23Å; L245-L249 HydrophobicContact CG-CD1 4.39Å; L245-L249 HydrophobicContact CG-CG 4.48Å; L245-L249 VanDerWaalsContact O-CG 3.25Å; L245-L249 WeakPolarHBondContact O-CG 3.48Å; L245-L249 PolarHBondContact O-N 3.4Å
246R62.1Low56.7Low76 Ų7663.4 Ų63.429%0.28734%0.344SS..Hα-helixtrans-61.1-38.7175.3-66.3-172.6-69.4-149.5-3.9112.2L236 F241 P242 A243 K250L236-R246 WeakPolarHBondContact O-CD 3.23Å; F241-R246 HydrophobicContact CB-CG 3.62Å; F241-R246 VanDerWaalsContact O-CZ 3.29Å; F241-R246 PolarHBondContact O-NE 2.8Å; P242-R246 PolarHBondContact O-N 2.94Å; P242-R246 VanDerWaalsContact O-N 3.15Å; A243-R246 PolarHBondContact O-N 3.2Å; R246-K250 WeakPolarHBondContact O-CB 3.33Å; R246-K250 VanDerWaalsContact O-CG 3.28Å; R246-K250 WeakPolarHBondContact O-CG 3.38Å; R246-K250 PolarHBondContact O-N 3.15Å
247E62.1Low57.1Low123 Ų12362.7 Ų62.758%0.57534%0.34SS*.Hα-helixtrans-65.4-47.8176.2-174174.4-179.300111.6A243 G244 L245 L249 K250 N251A243-E247 PolarHBondContact O-N 3.26Å; G244-E247 PolarHBondContact O-N 2.84Å; L245-E247 VanDerWaalsContact C-N 3.27Å; L245-E247 PolarHBondContact O-N 3.02Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.84Å; E247-K250 PolarHBondContact O-N 3.25Å; E247-N251 WeakPolarHBondContact CG-ND2 3.29Å; E247-N251 VanDerWaalsContact O-CB 3.31Å; E247-N251 WeakPolarHBondContact O-CB 3.3Å; E247-N251 VanDerWaalsContact O-CG 3.27Å; E247-N251 PolarHBondContact O-N 3.18Å; E247-N251 PolarHBondContact O-ND2 3.43Å
248I62.3Low57.2Low77 Ų7760.2 Ų60.240%0.39532%0.322SS..Hα-helixtrans-56.4-48.1174.4-68164.6000110.5G244 L245 K250 N251 T252G244-I248 WeakPolarHBondContact O-CD1 3.41Å; G244-I248 VanDerWaalsContact O-CG1 3.27Å; G244-I248 WeakPolarHBondContact O-CG1 3.35Å; G244-I248 PolarHBondContact O-N 2.8Å; L245-I248 PolarHBondContact O-N 3.23Å; I248-K250 VanDerWaalsContact C-N 3.3Å; I248-K250 PolarHBondContact O-N 3.08Å; I248-N251 PolarHBondContact O-N 2.87Å; I248-T252 WeakPolarHBondContact O-CB 3.41Å; I248-T252 PolarHBondContact O-N 3.14Å; I248-T252 PolarHBondContact O-OG1 3.03Å
249L58Low57.2Low1 Ų156.5 Ų56.51%0.00530%0.299CS..Hα-helixtrans-65-32.1-179.4-66.1179.7000113.4C217 L236 F241 L245 E247 H255 F259C217-L249 HydrophobicContact CB-CD2 3.95Å; C217-L249 VanDerWaalsContact SG-CD2 3.52Å; L236-L249 HydrophobicContact CD2-CB 4.44Å; L236-L249 HydrophobicContact CD2-CD1 3.96Å; F241-L249 HydrophobicContact CD2-CD1 4.36Å; F241-L249 HydrophobicContact CE2-CD1 4.3Å; L245-L249 HydrophobicContact CD2-CD1 3.63Å; L245-L249 HydrophobicContact CD2-CG 4.23Å; L245-L249 HydrophobicContact CG-CD1 4.39Å; L245-L249 HydrophobicContact CG-CG 4.48Å; L245-L249 VanDerWaalsContact O-CG 3.25Å; L245-L249 WeakPolarHBondContact O-CG 3.48Å; L245-L249 PolarHBondContact O-N 3.4Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.84Å; L249-H255 VanDerWaalsContact O-CB 3.31Å; L249-H255 WeakPolarHBondContact O-CB 3.4Å; L249-F259 HydrophobicContact CB-CD2 4.41Å; L249-F259 HydrophobicContact CB-CE2 3.7Å; L249-F259 HydrophobicContact CB-CZ 4.25Å; L249-F259 HydrophobicContact CD1-CE2 4.29Å; L249-F259 HydrophobicContact CD1-CZ 3.98Å; L249-F259 HydrophobicContact CD2-CE2 3.68Å; L249-F259 HydrophobicContact CD2-CZ 3.8Å; L249-F259 HydrophobicContact CG-CE2 4.06Å; L249-F259 HydrophobicContact CG-CZ 4.2Å
250K58.5Low57Low130 Ų13057.1 Ų57.157%0.56530%0.302SS*.Hα-helixtrans-74.3-36.8174.5-75.4176.9179-174.30112.5L236 R246 E247 I248 S256L236-K250 HydrophobicContact CD1-CD 4.48Å; L236-K250 HydrophobicContact CD1-CG 3.79Å; R246-K250 WeakPolarHBondContact O-CB 3.33Å; R246-K250 VanDerWaalsContact O-CG 3.28Å; R246-K250 WeakPolarHBondContact O-CG 3.38Å; R246-K250 PolarHBondContact O-N 3.15Å; E247-K250 PolarHBondContact O-N 3.25Å; I248-K250 VanDerWaalsContact C-N 3.3Å; I248-K250 PolarHBondContact O-N 3.08Å; K250-S256 WeakPolarHBondContact O-CB 2.91Å
251N55.7Low56.5Low113 Ų11347.9 Ų47.960%0.60426%0.262SS*.Hα-helixtrans-94.7-21.3-169.3-66-13.6000113.7E247 I248 L253E247-N251 WeakPolarHBondContact CG-ND2 3.29Å; E247-N251 VanDerWaalsContact O-CB 3.31Å; E247-N251 WeakPolarHBondContact O-CB 3.3Å; E247-N251 VanDerWaalsContact O-CG 3.27Å; E247-N251 PolarHBondContact O-N 3.18Å; E247-N251 PolarHBondContact O-ND2 3.43Å; I248-N251 PolarHBondContact O-N 2.87Å; N251-L253 PolarHBondContact O-N 2.85Å
252T57.3Low55.6Low40 Ų4047 Ų4725%0.24526%0.259CS..SBendtrans-81.2116.4175.8-29.80000108.4Y208 I248 H255 S256Y208-T252 HydrophobicContact CD1-CG2 3.78Å; Y208-T252 HydrophobicContact CE1-CG2 3.9Å; I248-T252 WeakPolarHBondContact O-CB 3.41Å; I248-T252 PolarHBondContact O-N 3.14Å; I248-T252 PolarHBondContact O-OG1 3.03Å; T252-H255 WeakPolarHBondContact O-CA 3.08Å; T252-H255 WeakPolarHBondContact O-CB 2.88Å; T252-H255 PolarHBondContact O-N 2.96Å; T252-S256 PolarHBondContact O-N 2.86Å
253L55.6Low54.3Low30 Ų3045.6 Ų45.616%0.15724%0.244CC..Hα-helixtrans-61.7-33.4-168.4-15099.6000116.7F84 Y208 N251 H255 S256 L257F84-L253 HydrophobicContact CD1-CD2 3.52Å; F84-L253 HydrophobicContact CE1-CD2 3.65Å; Y208-L253 VanDerWaalsContact OH-CB 3.23Å; Y208-L253 WeakPolarHBondContact OH-CB 3.32Å; N251-L253 PolarHBondContact O-N 2.85Å; L253-H255 PolarHBondContact O-N 2.87Å; L253-S256 PolarHBondContact O-N 3.46Å; L253-S256 PolarHBondContact O-OG 2.58Å; L253-L257 HydrophobicContact CD2-CD1 3.87Å; L253-L257 HydrophobicContact CG-CD1 4.16Å; L253-L257 PolarHBondContact O-N 3.37Å; L253-L257 VanDerWaalsContact O-N 3.12Å
254P52.2Low52.8Low4 Ų445.3 Ų45.33%0.02623%0.231CC..Hα-helixtrans-62.7-39.5174.3-18.831.7000109.8L82 Y208 F258L82-P254 HydrophobicContact CD1-CB 4.06Å; L82-P254 HydrophobicContact CD1-CG 4.31Å; Y208-P254 HydrophobicContact CD1-CG 3.87Å; Y208-P254 HydrophobicContact CD2-CG 3.17Å; Y208-P254 HydrophobicContact CE1-CG 4.1Å; Y208-P254 HydrophobicContact CE2-CG 3.43Å; Y208-P254 VanDerWaalsContact CE2-CG 3.43Å; Y208-P254 HydrophobicContact CG-CG 3.4Å; Y208-P254 VanDerWaalsContact CG-CG 3.4Å; P254-F258 WeakPolarHBondContact O-CB 3.41Å; P254-F258 PolarHBondContact O-N 3Å
255H46.9Very low51.5Low9 Ų945.9 Ų45.94%0.04222%0.224CC..Hα-helixtrans-63.5-54.9176.2-80.9-55.1000110.5Y214 L249 T252 L253 L257 F258 F259Y214-H255 AromaticContact CD2-CE1 3.34Å; Y214-H255 WeakPolarHBondContact CD2-CE1 3.4Å; Y214-H255 AromaticContact CD2-NE2 3.33Å; Y214-H255 VanDerWaalsContact CD2-NE2 3.33Å; Y214-H255 WeakPolarHBondContact CD2-NE2 3.36Å; Y214-H255 AromaticContact CE2-CE1 3.89Å; L249-H255 VanDerWaalsContact O-CB 3.31Å; L249-H255 WeakPolarHBondContact O-CB 3.4Å; T252-H255 WeakPolarHBondContact O-CA 3.08Å; T252-H255 WeakPolarHBondContact O-CB 2.88Å; T252-H255 PolarHBondContact O-N 2.96Å; L253-H255 PolarHBondContact O-N 2.87Å; H255-L257 VanDerWaalsContact C-N 3.32Å; H255-L257 PolarHBondContact O-N 3.08Å; H255-F258 PolarHBondContact O-N 3.42Å; H255-F259 HydrophobicContact CB-CD2 3.57Å; H255-F259 HydrophobicContact CB-CE2 3.37Å; H255-F259 AromaticContact CG-CE2 3.58Å; H255-F259 AromaticContact ND1-CE2 3.31Å; H255-F259 VanDerWaalsContact ND1-CE2 3.31Å; H255-F259 WeakPolarHBondContact ND1-CE2 3.31Å; H255-F259 AromaticContact ND1-CZ 3.77Å; H255-F259 WeakPolarHBondContact O-CA 3.28Å; H255-F259 WeakPolarHBondContact O-CB 3.13Å; H255-F259 WeakPolarHBondContact O-CD2 3.23Å; H255-F259 WeakPolarHBondContact O-CG 3.35Å; H255-F259 PolarHBondContact O-N 3.17Å
256S52.6Low50Low17 Ų1748 Ų4812%0.11924%0.242CC..Hα-helixtrans-63.3-33.7-17568.50000114K250 T252 L253 N260K250-S256 WeakPolarHBondContact O-CB 2.91Å; T252-S256 PolarHBondContact O-N 2.86Å; L253-S256 PolarHBondContact O-N 3.46Å; L253-S256 PolarHBondContact O-OG 2.58Å; S256-N260 VanDerWaalsContact O-CB 3.23Å; S256-N260 WeakPolarHBondContact O-CB 3.35Å; S256-N260 PolarHBondContact O-N 3.42Å; S256-N260 PolarHBondContact O-ND2 2.87Å
257L52.1Low48.4Very low8 Ų852.1 Ų52.14%0.04226%0.262CS..Hα-helixtrans-69.7-51173.9-75162.7000111.7L2 F84 L253 H255 F259 N260 Q261L2-L257 HydrophobicContact CD1-CD2 3.55Å; L2-L257 HydrophobicContact CD1-CG 4.02Å; F84-L257 HydrophobicContact CD1-CD1 3.87Å; F84-L257 HydrophobicContact CD2-CD1 4.28Å; F84-L257 HydrophobicContact CE1-CD1 3.26Å; F84-L257 HydrophobicContact CE2-CD1 3.76Å; F84-L257 HydrophobicContact CG-CD1 4.34Å; F84-L257 HydrophobicContact CZ-CD1 3.21Å; L253-L257 HydrophobicContact CD2-CD1 3.87Å; L253-L257 HydrophobicContact CG-CD1 4.16Å; L253-L257 PolarHBondContact O-N 3.37Å; L253-L257 VanDerWaalsContact O-N 3.12Å; H255-L257 VanDerWaalsContact C-N 3.32Å; H255-L257 PolarHBondContact O-N 3.08Å; L257-F259 VanDerWaalsContact C-N 3.34Å; L257-F259 PolarHBondContact O-N 2.81Å; L257-N260 PolarHBondContact O-N 2.97Å; L257-Q261 PolarHBondContact O-N 3.29Å
258F48.7Very low46.7Very low36 Ų3651.7 Ų51.716%0.15826%0.264CS..Hα-helixtrans-62.6-41.6177.5-137.5-101.7000110.8L158 P254 H255 Q261 I262L158-F258 HydrophobicContact CD2-CD2 4.17Å; L158-F258 HydrophobicContact CD2-CE2 4.29Å; P254-F258 WeakPolarHBondContact O-CB 3.41Å; P254-F258 PolarHBondContact O-N 3Å; H255-F258 PolarHBondContact O-N 3.42Å; F258-Q261 PolarHBondContact O-N 2.67Å; F258-I262 HydrophobicContact CD1-CD1 3.39Å; F258-I262 HydrophobicContact CD1-CG1 3.99Å; F258-I262 HydrophobicContact CE1-CD1 3.7Å; F258-I262 HydrophobicContact CE1-CG1 4.31Å; F258-I262 HydrophobicContact CG-CD1 4.46Å; F258-I262 VanDerWaalsContact O-CB 3.3Å; F258-I262 WeakPolarHBondContact O-CB 3.2Å; F258-I262 WeakPolarHBondContact O-CG1 3.48Å; F258-I262 PolarHBondContact O-N 2.94Å
259F46.8Very low45.2Very low12 Ų1256.3 Ų56.35%0.05328%0.278CS..Hα-helixtrans-66.2-45.7178.3-76.3-59.4000113.1C217 L221 F234 L249 H255 L257 Q261C217-F259 HydrophobicContact CB-CZ 4.36Å; L221-F259 HydrophobicContact CD1-CD1 3.53Å; L221-F259 HydrophobicContact CD1-CE1 3.1Å; L221-F259 HydrophobicContact CD1-CG 4.45Å; L221-F259 HydrophobicContact CD1-CZ 3.71Å; L221-F259 HydrophobicContact CD2-CD1 3.54Å; L221-F259 HydrophobicContact CD2-CE1 3.49Å; L221-F259 VanDerWaalsContact CD2-CE1 3.49Å; L221-F259 HydrophobicContact CG-CD1 3.97Å; L221-F259 HydrophobicContact CG-CE1 3.48Å; L221-F259 VanDerWaalsContact CG-CE1 3.48Å; L221-F259 HydrophobicContact CG-CZ 4.38Å; F234-F259 HydrophobicContact CD1-CD1 4.15Å; F234-F259 AromaticContact CE1-CD1 3.28Å; F234-F259 HydrophobicContact CE1-CD1 3.28Å; F234-F259 AromaticContact CE1-CE1 3.66Å; F234-F259 HydrophobicContact CE1-CE1 3.66Å; F234-F259 HydrophobicContact CE1-CG 4.15Å; F234-F259 HydrophobicContact CE2-CD1 4.31Å; F234-F259 HydrophobicContact CE2-CE1 4.09Å; F234-F259 AromaticContact CZ-CD1 3.4Å; F234-F259 HydrophobicContact CZ-CD1 3.4Å; F234-F259 VanDerWaalsContact CZ-CD1 3.4Å; F234-F259 AromaticContact CZ-CE1 3.24Å; F234-F259 HydrophobicContact CZ-CE1 3.24Å; F234-F259 HydrophobicContact CZ-CZ 4.33Å; L249-F259 HydrophobicContact CB-CD2 4.41Å; L249-F259 HydrophobicContact CB-CE2 3.7Å; L249-F259 HydrophobicContact CB-CZ 4.25Å; L249-F259 HydrophobicContact CD1-CE2 4.29Å; L249-F259 HydrophobicContact CD1-CZ 3.98Å; L249-F259 HydrophobicContact CD2-CE2 3.68Å; L249-F259 HydrophobicContact CD2-CZ 3.8Å; L249-F259 HydrophobicContact CG-CE2 4.06Å; L249-F259 HydrophobicContact CG-CZ 4.2Å; H255-F259 HydrophobicContact CB-CD2 3.57Å; H255-F259 HydrophobicContact CB-CE2 3.37Å; H255-F259 AromaticContact CG-CE2 3.58Å; H255-F259 AromaticContact ND1-CE2 3.31Å; H255-F259 VanDerWaalsContact ND1-CE2 3.31Å; H255-F259 WeakPolarHBondContact ND1-CE2 3.31Å; H255-F259 AromaticContact ND1-CZ 3.77Å; H255-F259 WeakPolarHBondContact O-CA 3.28Å; H255-F259 WeakPolarHBondContact O-CB 3.13Å; H255-F259 WeakPolarHBondContact O-CD2 3.23Å; H255-F259 WeakPolarHBondContact O-CG 3.35Å; H255-F259 PolarHBondContact O-N 3.17Å; L257-F259 VanDerWaalsContact C-N 3.34Å; L257-F259 PolarHBondContact O-N 2.81Å; F259-Q261 PolarHBondContact O-N 2.59Å
260N47.1Very low43.9Very low45 Ų4563.3 Ų63.324%0.24132%0.315CS..Hα-helixtrans-66.2-24.2179.6-84.5-65.2000112.4M1 S256 L257M1-N260 PolarHBondContact N-OD1 2.97Å; S256-N260 VanDerWaalsContact O-CB 3.23Å; S256-N260 WeakPolarHBondContact O-CB 3.35Å; S256-N260 PolarHBondContact O-N 3.42Å; S256-N260 PolarHBondContact O-ND2 2.87Å; L257-N260 PolarHBondContact O-N 2.97Å
261Q48.6Very low42.5Very low8 Ų864 Ų644%0.03733%0.325CS..Hα-helixtrans-107.5-21.8-175.2-68.5173.6200114.3F169 G172 L257 F258 F259 Q263 Q264 L265F169-Q261 VanDerWaalsContact CD1-OE1 3.26Å; G172-Q261 PolarHBondContact O-NE2 2.83Å; L257-Q261 PolarHBondContact O-N 3.29Å; F258-Q261 PolarHBondContact O-N 2.67Å; F259-Q261 PolarHBondContact O-N 2.59Å; Q261-Q263 PolarHBondContact O-N 3.49Å; Q261-Q264 CarbonylContact O-C 3.52Å; Q261-Q264 WeakPolarHBondContact O-CA 3.18Å; Q261-Q264 WeakPolarHBondContact O-CB 3.35Å; Q261-Q264 PolarHBondContact O-N 3.18Å; Q261-L265 PolarHBondContact O-N 2.78Å
262I42.3Very low41.4Very low16 Ų1663.3 Ų63.38%0.08233%0.325CS..Hα-helixtrans-55.3-34.6160.9-77.5-177.3000110L221 Q225 F258 Q264 L265 S266L221-I262 HydrophobicContact CB-CD1 3.71Å; L221-I262 HydrophobicContact CD1-CD1 3.71Å; L221-I262 HydrophobicContact CD2-CD1 3.87Å; L221-I262 HydrophobicContact CD2-CG2 4Å; L221-I262 HydrophobicContact CG-CD1 3.98Å; Q225-I262 HydrophobicContact CG-CG2 4.26Å; F258-I262 HydrophobicContact CD1-CD1 3.39Å; F258-I262 HydrophobicContact CD1-CG1 3.99Å; F258-I262 HydrophobicContact CE1-CD1 3.7Å; F258-I262 HydrophobicContact CE1-CG1 4.31Å; F258-I262 HydrophobicContact CG-CD1 4.46Å; F258-I262 VanDerWaalsContact O-CB 3.3Å; F258-I262 WeakPolarHBondContact O-CB 3.2Å; F258-I262 WeakPolarHBondContact O-CG1 3.48Å; F258-I262 PolarHBondContact O-N 2.94Å; I262-Q264 VanDerWaalsContact C-N 3.31Å; I262-Q264 PolarHBondContact O-N 3.38Å; I262-L265 PolarHBondContact O-N 3.44Å; I262-S266 PolarHBondContact O-N 3.2Å
263Q36.3Very low40Very low65 Ų6570.8 Ų70.830%0.30436%0.356SS..Hα-helixtrans-63-31.4168.5-70.8178.3-21.300113.4F234 Q261 S266 F267F234-Q263 HydrophobicContact CB-CG 4.23Å; F234-Q263 PolarHBondContact O-NE2 3.1Å; Q261-Q263 PolarHBondContact O-N 3.49Å; Q263-S266 VanDerWaalsContact C-OG 3.32Å; Q263-S266 PolarHBondContact O-OG 3.21Å; Q263-F267 WeakPolarHBondContact O-CD2 3.41Å; Q263-F267 WeakPolarHBondContact O-CE2 3.44Å
264Q37.4Very low38.6Very low62 Ų6279.1 Ų79.129%0.2939%0.391SS..Hα-helixtrans-77.6-36.9177.8-66.9179.8-1100112.4Q261 I262 S266 F267 N268Q261-Q264 CarbonylContact O-C 3.52Å; Q261-Q264 WeakPolarHBondContact O-CA 3.18Å; Q261-Q264 WeakPolarHBondContact O-CB 3.35Å; Q261-Q264 PolarHBondContact O-N 3.18Å; I262-Q264 VanDerWaalsContact C-N 3.31Å; I262-Q264 PolarHBondContact O-N 3.38Å; Q264-S266 PolarHBondContact O-N 3.21Å; Q264-F267 PolarHBondContact O-N 3.04Å; Q264-N268 PolarHBondContact O-N 3.42Å
265L35.2Very low37.5Very low53 Ų5381.9 Ų81.928%0.27741%0.414SS..Hα-helixtrans-64.8-29.5175-63-179.6000112.5P176 Q261 I262 F267 N268 Y269P176-L265 HydrophobicContact CG-CD1 3.95Å; P176-L265 HydrophobicContact CG-CD2 3.24Å; P176-L265 HydrophobicContact CG-CG 4.24Å; Q261-L265 PolarHBondContact O-N 2.78Å; I262-L265 PolarHBondContact O-N 3.44Å; L265-F267 PolarHBondContact O-N 3.24Å; L265-N268 PolarHBondContact O-N 2.9Å; L265-Y269 PolarHBondContact O-N 2.82Å
266S31.3Very low36.5Very low82 Ų8286.7 Ų86.757%0.57345%0.449SS*.Hα-helixtrans-66.5-19.7169.749.40000114.2I262 Q263 Q264I262-S266 PolarHBondContact O-N 3.2Å; Q263-S266 VanDerWaalsContact C-OG 3.32Å; Q263-S266 PolarHBondContact O-OG 3.21Å; Q264-S266 PolarHBondContact O-N 3.21Å
267F28.6Very low35.4Very low164 Ų16490.9 Ų90.972%0.71948%0.478SS*.Hα-helixtrans-88.2-28.2176.5-73.3-72.3000113.4Q263 Q264 L265Q263-F267 WeakPolarHBondContact O-CD2 3.41Å; Q263-F267 WeakPolarHBondContact O-CE2 3.44Å; Q264-F267 PolarHBondContact O-N 3.04Å; L265-F267 PolarHBondContact O-N 3.24Å
268N27.9Very low34.6Very low114 Ų11498.1 Ų98.161%0.6152%0.516SS*.Hα-helixtrans-97.84.5-175.2-86.4-4000115.2Q264 L265 N270 D271Q264-N268 PolarHBondContact O-N 3.42Å; L265-N268 PolarHBondContact O-N 2.9Å; N268-N270 PolarHBondContact O-N 3.27Å; N268-D271 PolarHBondContact O-N 3.32Å
269Y30Very low33.6Very low174 Ų174102.6 Ų102.668%0.68254%0.541SS*.G310 helixtrans-60.5-14.1179.4-169.4-99.3000113.8L265 D271L265-Y269 PolarHBondContact O-N 2.82Å; Y269-D271 VanDerWaalsContact C-N 3.3Å; Y269-D271 PolarHBondContact O-N 3.1Å
270N29.8Very low32.6Very low147 Ų147106.8 Ų106.879%0.78657%0.57SS**G310 helixtrans-75.7-6.4178.8-70.5-16.3000115.2N268N268-N270 PolarHBondContact O-N 3.27Å
271D30.7Very low31.7Very low146 Ų146110.9 Ų110.978%0.78160%0.596SS**G310 helixtrans-121.411.8-172.2-86.1-35.8000116.9N268 Y269 H273N268-D271 PolarHBondContact O-N 3.32Å; Y269-D271 VanDerWaalsContact C-N 3.3Å; Y269-D271 PolarHBondContact O-N 3.1Å; D271-H273 PolarHBondContact O-N 3.3Å
272V32.2Very low30.6Very low98 Ų98118 Ų11859%0.59464%0.635SS**  trans-91.210.6-167.1-173.70000115.9K274V272-K274 PolarHBondContact O-N 2.86Å
273H26.7Very low29.9Very low197 Ų197120.6 Ų120.691%0.91265%0.654SS**THydrogen-bonded Turntrans-76.325-178.9-79.6-59.7000116.8D271D271-H273 PolarHBondContact O-N 3.3Å
274K27Very low29.5Very low204 Ų204121.4 Ų121.489%0.88767%0.665SS**THydrogen-bonded Turntrans-136.34.7-175.9-102.3-177.7-177.91800119.7V272V272-K274 PolarHBondContact O-N 2.86Å
275A28.7Very low29.3Very low62 Ų62121.5 Ų121.551%0.51267%0.667SS.*  trans-99.2101.2177.400000111.6
276S27.4Very low29.4Very low111 Ų111121.5 Ų121.578%0.77667%0.671SS**  trans-76123.5172.7-69.40000111.1
277S27.9Very low29.8Very low104 Ų104121.2 Ų121.273%0.72766%0.659SS**  trans-0.3110.3156.7580000119.2
278L35Very low29.8Very low161 Ų161118.1 Ų118.184%0.84365%0.649SS**  trans-144.448.4146.2-77.2-176.9000110.9
279L27.6Very low29.6Very low129 Ų129120.2 Ų120.268%0.67565%0.649SS**SBendtrans-69.8130.3155.8-68.2176.1000107V281L279-V281 PolarHBondContact O-N 3.19Å
280P26.3Very low29.5Very low101 Ų101117.4 Ų117.466%0.65664%0.644SS**SBendtrans-57.3117.3167.4-15.728.1000107.8
281V28.5Very low29.3Very low130 Ų130114.9 Ų114.979%0.78864%0.638SS**SBendtrans33.1109.4160.2-173.80000115.6L279 S283L279-V281 PolarHBondContact O-N 3.19Å; V281-S283 VanDerWaalsContact C-N 3.29Å; V281-S283 PolarHBondContact O-N 3.19Å
282D25.5Very low28.9Very low159 Ų159116.1 Ų116.185%0.8564%0.637SS**  trans21.463156.5-69-35.6000115.2P284D282-P284 WeakPolarHBondContact O-CD 3.41Å
283S28.6Very low28.5Very low69 Ų69116.1 Ų116.148%0.48364%0.641SS.*  trans-80.5108.3155.979.60000104.9V281 D285V281-S283 VanDerWaalsContact C-N 3.29Å; V281-S283 PolarHBondContact O-N 3.19Å; S283-D285 PolarHBondContact O-N 3.38Å
284P26.4Very low28.2Very low82 Ų82113 Ų11353%0.53264%0.638SS.*  trans-57.9136.3177.523.3-30.7000108.2D282D282-P284 WeakPolarHBondContact O-CD 3.41Å
285D33.7Very low28.1Very low64 Ų64108.6 Ų108.634%0.34263%0.634SS.*  trans-36.8116.8177-178.1-2.7000109.2K226 S283 F287 L288K226-D285 IonicContact NZ-OD2 2.89Å; S283-D285 PolarHBondContact O-N 3.38Å; D285-F287 PolarHBondContact O-N 3.37Å; D285-F287 PolarHBondContact OD1-N 3.03Å; D285-L288 HydrophobicContact CB-CB 4.3Å; D285-L288 HydrophobicContact CB-CD1 4.11Å; D285-L288 HydrophobicContact CB-CG 4.23Å; D285-L288 PolarHBondContact O-N 2.94Å
286P37.4Very low27.7Very low54 Ų54113.5 Ų113.535%0.35165%0.651SS.*THydrogen-bonded Turntrans-63.1-3.9-172.122-31.8000113.6
287F39.7Very low27.6Very low75 Ų75113.5 Ų113.533%0.32965%0.651SS.*THydrogen-bonded Turntrans-102.8-2.9174.7-57.8-74000114.6D285D285-F287 PolarHBondContact O-N 3.37Å; D285-F287 PolarHBondContact OD1-N 3.03Å
288L27.9Very low27.4Very low99 Ų99115.7 Ų115.752%0.51866%0.655SS.*  trans-10232.3178.2-75.1178.7000114.1D285 I290D285-L288 HydrophobicContact CB-CB 4.3Å; D285-L288 HydrophobicContact CB-CD1 4.11Å; D285-L288 HydrophobicContact CB-CG 4.23Å; D285-L288 PolarHBondContact O-N 2.94Å; L288-I290 PolarHBondContact O-N 2.83Å; L288-I290 VanDerWaalsContact O-N 3.16Å
289W24.1Very low26.8Very low159 Ų159116 Ų11660%0.60266%0.658SS**THydrogen-bonded Turntrans-75.812167.7-8527.1000114Y366 M370W289-Y366 HydrophobicContact CE3-CE1 4.38Å; W289-Y366 AromaticContact CZ3-CE1 3.97Å; W289-Y366 HydrophobicContact CZ3-CE1 3.97Å; W289-M370 HydrophobicContact CE3-CE 4.33Å
290I28.1Very low26.5Very low114 Ų114117.3 Ų117.359%0.58566%0.664SS**THydrogen-bonded Turntrans-89.1-4-174.5-57.6180000113L288L288-I290 PolarHBondContact O-N 2.83Å; L288-I290 VanDerWaalsContact O-N 3.16Å
291S25.5Very low26.4Very low94 Ų94119.6 Ų119.666%0.65767%0.671SS**  trans-14965.8177.859.30000114.1
292F21.8Very low26.1Very low172 Ų172117.9 Ų117.975%0.75467%0.665SS**  trans-117.886.8153.7-77.4-78.6000108.6
293S23.9Very low26Very low98 Ų98115.4 Ų115.469%0.68566%0.66SS**  trans-78.6135.5148-65.50000106.9S295S293-S295 PolarHBondContact O-N 2.79Å; S293-S295 VanDerWaalsContact O-N 3.17Å
294P21.7Very low25.8Very low131 Ų131118.3 Ų118.385%0.85168%0.675SS**  trans-62.1122.6-173.7-8.921.8000109
295S24.1Very low25.5Very low113 Ų113123.4 Ų123.479%0.7969%0.694SS**  trans-111109.5168.8-52.90000106.9S293 S297S293-S295 PolarHBondContact O-N 2.79Å; S293-S295 VanDerWaalsContact O-N 3.17Å; S295-S297 PolarHBondContact O-N 3.25Å
296D21.5Very low25.1Very low164 Ų164124 Ų12488%0.87772%0.715SS**  trans-61.2116.1166.5-72.3-43.6000109.5
297S24.9Very low24.4Very low112 Ų112129.5 Ų129.578%0.78374%0.741SS**  trans-179.2125.8142.151.50000111S295S295-S297 PolarHBondContact O-N 3.25Å
298N22.3Very low24Very low150 Ų150131 Ų13180%0.80277%0.767SS**  trans-47.4141.2157.9-65.9-49000110.8
299D23.9Very low23.9Very low168 Ų168133.6 Ų133.690%0.89878%0.782SS**  -165.7131.6124.8-90.3-27.3000111.9
300L20.3Very low23.9Very low155 Ų155134 Ų13481%0.81279%0.788SS**  trans-77.4140169.9-73140.8000109.6
301N24.1Very low23.9Very low149 Ų149137.6 Ų137.680%0.79780%0.799SS**  172.1117.4121.6-89.3-21.7000114.5
302S22.9Very low23.8Very low94 Ų94139.2 Ų139.266%0.65780%0.801SS**  32.6138.6128.9690000124.5
303S22.5Very low23.9Very low107 Ų107138.3 Ų138.375%0.74880%0.802SS**  trans79.4141.6140.976.90000117.1
304T24.5Very low23.9Very low131 Ų131142.4 Ų142.480%0.80481%0.81SS**  cis-158.4153.631-48.10000110.9
305M20.9Very low24.1Very low189 Ų189142 Ų14293%0.93181%0.808SS**  trans-60.4156.2171.1-72.3-14316300114.9
306G24.3Very low24.1Very low75 Ų75147.7 Ų147.777%0.77381%0.814SS**  trans-144128.9161.800000110.5
307D23.6Very low24.3Very low171 Ų171143.7 Ų143.791%0.91480%0.799SS**  trans-59.5142.2-175.5-73.8-55.6000114.1
308A30.3Very low24.4Very low105 Ų105144.5 Ų144.587%0.86880%0.801SS**  trans-109.8120.6172.600000110.2
309D27.6Very low24.5Very low155 Ų155145 Ų14583%0.82980%0.799SS**  trans-62.6141.3-177.6-86.1-45.3000114.1
310K23.7Very low24.6Very low167 Ų167145.3 Ų145.373%0.72680%0.795SS**  trans-70.1119.9177.3178.6-178.4175-172.30111D312K310-D312 WeakPolarHBondContact CE-OD1 3.4Å; K310-D312 IonicContact NZ-OD1 3.71Å
311F28.3Very low24.9Very low189 Ų189146.4 Ų146.483%0.82979%0.794SS**  trans-102.7112.4165.2-89.9-88.9000109.7
312D22.1Very low24.9Very low128 Ų128146.3 Ų146.368%0.68479%0.793SS**  trans-77119.3169.8-70.7-44.7000109K310K310-D312 WeakPolarHBondContact CE-OD1 3.4Å; K310-D312 IonicContact NZ-OD1 3.71Å
313I25.3Very low25Very low154 Ų154149.9 Ų149.979%0.7980%0.797SS**  trans-110.9112.1168.1-64.6174.3000106.9
314E23.8Very low25Very low183 Ų183149 Ų14986%0.85579%0.791SS**PPolyproline II helixtrans-66.7128.7173.9-76.9-176.5153.500110.8
315P25Very low25.2Very low124 Ų124148.2 Ų148.281%0.80579%0.791SS**PPolyproline II helixtrans-76.9135.8178.728.5-30.8000111.6
316Y25.3Very low25.3Very low231 Ų231146.9 Ų146.991%0.90679%0.787SS**PPolyproline II helixtrans-61.5136.1175-120.9-97.9000111.7
317S24.2Very low25.5Very low81 Ų81151.1 Ų151.157%0.56679%0.792SS**PPolyproline II helixtrans-61.6126.8175.5176.10000112.1E319S317-E319 PolarHBondContact O-N 3.07Å
318P26.9Very low25.4Very low128 Ų128150.4 Ų150.483%0.83179%0.788SS**  trans-87.692.417028.9-20.5000109.7
319E25.9Very low25.2Very low161 Ų161154 Ų15475%0.75279%0.791SS**  trans-85.9133.1166.7-71.9-177.2-178.800110.2S317S317-E319 PolarHBondContact O-N 3.07Å
320E25.9Very low24.9Very low175 Ų175153.7 Ų153.782%0.81879%0.79SS**  trans69.175.5162.6-59.2-173.6172.100118.2
321F26Very low25Very low178 Ų178154.7 Ų154.778%0.78180%0.797SS**  trans-136.7104.4145.1-98.4-86.5000110.3F323F321-F323 HydrophobicContact CB-CD2 4.14Å; F321-F323 HydrophobicContact CB-CE2 3.78Å; F321-F323 HydrophobicContact CD1-CE2 4.3Å; F321-F323 HydrophobicContact CD1-CZ 4.34Å; F321-F323 HydrophobicContact CG-CE2 4.33Å; F321-F323 PolarHBondContact O-N 2.78Å
322D23.7Very low24.7Very low146 Ų146156.4 Ų156.478%0.78180%0.798SS**  trans-77.4100.7173.9-168.38000109.1S324D322-S324 PolarHBondContact O-N 2.91Å
323F26.1Very low24.9Very low170 Ų170160 Ų16075%0.74681%0.811SS**  trans-95.277.6172.7-77.1-79.7000109.4F321F321-F323 HydrophobicContact CB-CD2 4.14Å; F321-F323 HydrophobicContact CB-CE2 3.78Å; F321-F323 HydrophobicContact CD1-CE2 4.3Å; F321-F323 HydrophobicContact CD1-CZ 4.34Å; F321-F323 HydrophobicContact CG-CE2 4.33Å; F321-F323 PolarHBondContact O-N 2.78Å
324S22.3Very low24.7Very low89 Ų89162.2 Ų162.262%0.62281%0.814SS**  trans-94.2101.7160.368.50000108.9D322D322-S324 PolarHBondContact O-N 2.91Å
325S27.9Very low24.7Very low114 Ų114158.5 Ų158.580%0.79781%0.809SS**  trans-170.793.8149.9-72.10000108.2
326D23Very low24.6Very low160 Ų160158.5 Ų158.586%0.85681%0.806SS**  trans-52.4129.8150.7-74.8-48.6000108.5
327D27.7Very low24.4Very low164 Ų164153.3 Ų153.388%0.87779%0.794SS**  trans-154.1121.4142.1-100.6-27.5000111
328L22.9Very low24.4Very low157 Ų157157.9 Ų157.982%0.82280%0.804SS**  trans-62.9123176.1-69.3148.9000110.5
329L25.4Very low24.2Very low180 Ų180157.9 Ų157.994%0.94280%0.797SS**  trans-141.690.1150.2-74.5-178.3000109.5
330D22.1Very low24.1Very low149 Ų149157.4 Ų157.480%0.79780%0.799SS**  trans-101.9124.7161.1-153.26.9000105.6
331E26Very low23.9Very low187 Ų187153.4 Ų153.487%0.87479%0.791SS**  trans179.897.9155.2-78.9-125.6139.500106.3
332R20.8Very low23.7Very low226 Ų226149.2 Ų149.285%0.85378%0.783SS**  41.7109.497.4-88-174.11781793.1114.8
333E27.6Very low23.8Very low204 Ų204149.6 Ų149.695%0.95379%0.785SS**  trans-138.8119.7130.4-76.7-163.7149.800110.6
334K19.4Very low23.5Very low200 Ų200149.1 Ų149.187%0.8779%0.785SS**  trans-92.4149.5160-92.7175.3169.3179.20106.9
335S23.6Very low23.6Very low105 Ų105151 Ų15173%0.73479%0.788SS**  159.3125.5129.357.60000110.3
336V23.1Very low23.4Very low123 Ų123153.2 Ų153.275%0.74579%0.786SS**  85.2136.3100.8165.60000110.4
337D22.5Very low23.4Very low122 Ų122152.5 Ų152.565%0.65278%0.781SS**  cis-178.1168.3-3.7-108.2-17.1000105.4
338K23.9Very low23.2Very low178 Ų178151.6 Ų151.677%0.77478%0.777SS**  trans71.5152.8147.1-78164.1-178.1-171.70118.2
339D22.4Very low23.2Very low128 Ų128152.4 Ų152.468%0.68478%0.776SS**  cis176.2164.9-23.2-109.8-20.9000102.7
340D23.5Very low23Very low151 Ų151150.2 Ų150.281%0.80777%0.77SS**  trans73150.4161.5-62.3-25.1000117.7
341S22.2Very low23.1Very low91 Ų91149.4 Ų149.464%0.63677%0.766SS**  cis177.5149.8-30.354.40000104
342S22.1Very low22.9Very low89 Ų89150.4 Ų150.462%0.62277%0.768SS**  trans48.1118.5148.963.80000120
343D24.5Very low23Very low154 Ų154144.8 Ų144.882%0.82476%0.762SS**  174.2151.686.5-99.8-30.6000112.8
344E20.8Very low22.9Very low160 Ų160139.8 Ų139.875%0.74875%0.749SS**  trans-55.7152.4174.9-55.2-171140.900113.8
345N25.1Very low23.3Very low129 Ų129135.2 Ų135.269%0.6974%0.743SS**  176.1122.1112.2-92.7-46.7000114.1
346H23.1Very low23.8Very low160 Ų160133.7 Ų133.774%0.74173%0.729SS**  63.9124126.7-90.1-55.4000123.7
347L23.9Very low24.4Very low145 Ų145132.4 Ų132.476%0.75972%0.722SS**  trans108.996.1138.6-66.5159.9000118.5
348N21.7Very low25.5Very low146 Ų146132.8 Ų132.878%0.78172%0.722SS**  22.6107.3125.1-70-10.7000118.2
349E24.1Very low26.4Very low173 Ų173127.4 Ų127.481%0.80871%0.711SS**  trans-131106.2132.6-82.4-167.6161.500109.2N351E349-N351 PolarHBondContact O-N 3.11Å
350T21.1Very low27.1Very low134 Ų134122.4 Ų122.482%0.82269%0.69SS**  trans-57.986.9159.330.40000109.4
351N24.3Very low28.4Very low132 Ų132117.1 Ų117.171%0.70667%0.665SS**  trans-101106154.2-87.1-42.2000107.3E349 C353E349-N351 PolarHBondContact O-N 3.11Å; N351-C353 PolarHBondContact O-N 3.05Å
352F21.4Very low29.7Very low209 Ų209116.5 Ų116.592%0.91765%0.652SS**  trans-63.566.9168.9-133.6-93.4000108.3S354F352-S354 PolarHBondContact O-N 2.99Å
353C23.1Very low31.2Very low108 Ų108118.9 Ų118.973%0.7365%0.651SS**  trans-80.898.1167.8-168.10000105N351 S355N351-C353 PolarHBondContact O-N 3.05Å; C353-S355 VanDerWaalsContact C-N 3.27Å; C353-S355 PolarHBondContact O-N 2.71Å
354S25.8Very low32.5Very low98 Ų98119.2 Ų119.269%0.68564%0.64SS**  trans-50.695.4170.237.70000108.7F352 T356F352-S354 PolarHBondContact O-N 2.99Å; S354-T356 PolarHBondContact O-N 3.02Å
355S27.9Very low34.1Very low105 Ų105118.9 Ų118.973%0.73463%0.633SS**  trans-71.673.1176.651.70000108.3C353 T357C353-S355 VanDerWaalsContact C-N 3.27Å; C353-S355 PolarHBondContact O-N 2.71Å; S355-T357 PolarHBondContact O-N 2.54Å
356T33.2Very low35.3Very low72 Ų72115.7 Ų115.744%0.44261%0.611SS.*  trans-65.296.7159.5-50.20000105.2S354S354-T356 PolarHBondContact O-N 3.02Å
357T36Very low36.9Very low96 Ų96113.6 Ų113.659%0.58960%0.602SS**  trans-48.5144.3178.345.80000109.9S355 A359 G360 S361S355-T357 PolarHBondContact O-N 2.54Å; T357-A359 PolarHBondContact O-N 2.9Å; T357-G360 WeakPolarHBondContact O-CA 3.37Å; T357-G360 PolarHBondContact O-N 3.21Å; T357-S361 PolarHBondContact O-N 3.16Å
358I46.4Very low38.3Very low130 Ų130109.3 Ų109.367%0.66759%0.587SS**Hα-helixtrans-47.9-38.3-178.7-66.4170.9000111G360 S361 Q362I358-G360 PolarHBondContact O-N 2.82Å; I358-S361 PolarHBondContact O-N 2.84Å; I358-S361 PolarHBondContact O-OG 2.85Å; I358-Q362 PolarHBondContact O-N 2.92Å; I358-Q362 VanDerWaalsContact O-N 3.17Å
359A42.9Very low39.8Very low66 Ų66103 Ų10355%0.54556%0.555SS.*Hα-helixtrans-58.1-43174.200000114T357 Q362 K363T357-A359 PolarHBondContact O-N 2.9Å; A359-Q362 PolarHBondContact O-N 3.02Å; A359-K363 WeakPolarHBondContact O-CB 3.42Å; A359-K363 PolarHBondContact O-N 3.01Å
360G36.4Very low40.7Very low22 Ų2297.2 Ų97.223%0.22753%0.529CS..Hα-helixtrans-65.8-40.617800000112.8T357 I358 Q362 K363 R364T357-G360 WeakPolarHBondContact O-CA 3.37Å; T357-G360 PolarHBondContact O-N 3.21Å; I358-G360 PolarHBondContact O-N 2.82Å; G360-Q362 VanDerWaalsContact C-N 3.35Å; G360-Q362 PolarHBondContact O-N 2.89Å; G360-K363 PolarHBondContact O-N 3.49Å; G360-R364 WeakPolarHBondContact O-CG 3.44Å; G360-R364 PolarHBondContact O-N 2.63Å; G360-R364 VanDerWaalsContact O-N 3.09Å
361S50.4Low42.2Very low41 Ų4192.7 Ų92.729%0.28750%0.503SS..Hα-helixtrans-64.3-38.7176.580.40000112.4T357 I358 R365T357-S361 PolarHBondContact O-N 3.16Å; I358-S361 PolarHBondContact O-N 2.84Å; I358-S361 PolarHBondContact O-OG 2.85Å; S361-R365 WeakPolarHBondContact O-CG 3.41Å; S361-R365 PolarHBondContact O-N 3.07Å; S361-R365 VanDerWaalsContact O-N 3.11Å
362Q49.8Very low43.3Very low77 Ų7787.2 Ų87.236%0.3648%0.476SS..Hα-helixtrans-74-38.1178.5-73.4174.2-9.700111.9I358 A359 G360 R364 R365 Y366I358-Q362 PolarHBondContact O-N 2.92Å; I358-Q362 VanDerWaalsContact O-N 3.17Å; A359-Q362 PolarHBondContact O-N 3.02Å; G360-Q362 VanDerWaalsContact C-N 3.35Å; G360-Q362 PolarHBondContact O-N 2.89Å; Q362-R364 VanDerWaalsContact C-N 3.33Å; Q362-R364 PolarHBondContact O-N 3.14Å; Q362-R365 WeakPolarHBondContact O-CB 3.43Å; Q362-R365 PolarHBondContact O-N 3.26Å; Q362-R365 VanDerWaalsContact O-N 3.17Å; Q362-Y366 PolarHBondContact O-N 3.3Å
363K54.2Low44.4Very low140 Ų14079.1 Ų79.161%0.60944%0.442SS*.Hα-helixtrans-58.7-43.7172.5-171.1178.4-179.8-178.90111.5A359 G360 Y366 Q367A359-K363 WeakPolarHBondContact O-CB 3.42Å; A359-K363 PolarHBondContact O-N 3.01Å; G360-K363 PolarHBondContact O-N 3.49Å; K363-Y366 PolarHBondContact O-N 2.94Å; K363-Q367 PolarHBondContact O-N 2.84Å
364R51.7Low45.7Very low160 Ų16077.5 Ų77.560%0.60443%0.431SS*.Hα-helixtrans-61.6-42.3173.8-70.7-176.8-160.3177.75.4112.1G360 Q362 Y366 Q367 A368G360-R364 WeakPolarHBondContact O-CG 3.44Å; G360-R364 PolarHBondContact O-N 2.63Å; G360-R364 VanDerWaalsContact O-N 3.09Å; Q362-R364 VanDerWaalsContact C-N 3.33Å; Q362-R364 PolarHBondContact O-N 3.14Å; R364-Y366 VanDerWaalsContact C-N 3.33Å; R364-Y366 PolarHBondContact O-N 2.93Å; R364-Q367 PolarHBondContact O-N 2.74Å; R364-A368 WeakPolarHBondContact O-CB 3.36Å; R364-A368 PolarHBondContact O-N 2.62Å
365R53.4Low46.5Very low154 Ų15477 Ų7758%0.58142%0.424SS*.Hα-helixtrans-61.4-40.4174.7-73.4178.6-171.9164.24.1112.2W162 S361 Q362 A368 A369W162-R365 HydrophobicContact CH2-CB 4.22Å; W162-R365 HydrophobicContact CZ3-CB 4.36Å; S361-R365 WeakPolarHBondContact O-CG 3.41Å; S361-R365 PolarHBondContact O-N 3.07Å; S361-R365 VanDerWaalsContact O-N 3.11Å; Q362-R365 WeakPolarHBondContact O-CB 3.43Å; Q362-R365 PolarHBondContact O-N 3.26Å; Q362-R365 VanDerWaalsContact O-N 3.17Å; R365-A368 PolarHBondContact O-N 2.91Å; R365-A369 WeakPolarHBondContact O-CB 3.49Å; R365-A369 PolarHBondContact O-N 3.23Å
366Y51.7Low47.5Very low62 Ų6273.2 Ų73.224%0.24340%0.395CS..Hα-helixtrans-65.7-44.5177.3-171.8-94000111.7W162 W289 Q362 K363 R364 A368 A369 M370W162-Y366 AromaticContact CZ2-CD2 3.95Å; W162-Y366 HydrophobicContact CZ2-CD2 3.95Å; W289-Y366 HydrophobicContact CE3-CE1 4.38Å; W289-Y366 AromaticContact CZ3-CE1 3.97Å; W289-Y366 HydrophobicContact CZ3-CE1 3.97Å; Q362-Y366 PolarHBondContact O-N 3.3Å; K363-Y366 PolarHBondContact O-N 2.94Å; R364-Y366 VanDerWaalsContact C-N 3.33Å; R364-Y366 PolarHBondContact O-N 2.93Å; Y366-A368 PolarHBondContact O-N 3.01Å; Y366-A369 PolarHBondContact O-N 3Å; Y366-M370 HydrophobicContact CD1-CG 4.11Å; Y366-M370 HydrophobicContact CE1-CE 3.59Å; Y366-M370 HydrophobicContact CE1-CG 3.87Å; Y366-M370 HydrophobicContact CE2-CE 4.21Å; Y366-M370 WeakPolarHBondContact O-CG 3.03Å; Y366-M370 PolarHBondContact O-N 3.27Å; Y366-M370 WeakPolarHBondContact OH-CE 3.44Å
367Q55.4Low48Very low115 Ų11572 Ų7254%0.53739%0.386SS..Hα-helixtrans-61.3-41.5174.6-75.5175.4-37.100112.3K363 R364 M370 S371K363-Q367 PolarHBondContact O-N 2.84Å; R364-Q367 PolarHBondContact O-N 2.74Å; Q367-M370 PolarHBondContact O-N 3.07Å; Q367-S371 PolarHBondContact O-N 3.2Å; Q367-S371 PolarHBondContact O-OG 2.83Å
368A54.4Low48.3Very low56 Ų5676.3 Ų76.346%0.46339%0.392SS..Hα-helixtrans-66-35.8175.500000112.8R364 R365 Y366 S371 A372R364-A368 WeakPolarHBondContact O-CB 3.36Å; R364-A368 PolarHBondContact O-N 2.62Å; R365-A368 PolarHBondContact O-N 2.91Å; Y366-A368 PolarHBondContact O-N 3.01Å; A368-S371 PolarHBondContact O-OG 2.98Å; A368-A372 WeakPolarHBondContact O-CB 3.42Å; A368-A372 PolarHBondContact O-N 3.06Å
369A52.2Low48.1Very low13 Ų1374.8 Ų74.811%0.10738%0.384CS..Hα-helixtrans-68.3-39.7173.400000111.7W162 L215 R365 Y366 A372 N373W162-A369 HydrophobicContact CH2-CB 4.41Å; W162-A369 HydrophobicContact CZ2-CB 3.98Å; L215-A369 HydrophobicContact CD1-CB 3.88Å; R365-A369 WeakPolarHBondContact O-CB 3.49Å; R365-A369 PolarHBondContact O-N 3.23Å; Y366-A369 PolarHBondContact O-N 3Å; A369-A372 PolarHBondContact O-N 2.95Å; A369-N373 PolarHBondContact O-N 3.06Å
370M44.2Very low48.3Very low51 Ų5175 Ų7525%0.25137%0.373SS..Hα-helixtrans-64.3-42.4175-76.4-64.3-172.200112.2W289 Y366 Q367 A372 N373 C374W289-M370 HydrophobicContact CE3-CE 4.33Å; Y366-M370 HydrophobicContact CD1-CG 4.11Å; Y366-M370 HydrophobicContact CE1-CE 3.59Å; Y366-M370 HydrophobicContact CE1-CG 3.87Å; Y366-M370 HydrophobicContact CE2-CE 4.21Å; Y366-M370 WeakPolarHBondContact O-CG 3.03Å; Y366-M370 PolarHBondContact O-N 3.27Å; Y366-M370 WeakPolarHBondContact OH-CE 3.44Å; Q367-M370 PolarHBondContact O-N 3.07Å; M370-A372 VanDerWaalsContact C-N 3.32Å; M370-A372 PolarHBondContact O-N 3.17Å; M370-N373 WeakPolarHBondContact O-CB 3.2Å; M370-N373 PolarHBondContact O-N 2.91Å; M370-C374 PolarHBondContact O-N 3.05Å
371S51.9Low48.8Very low39 Ų3977.8 Ų77.827%0.27339%0.385SS..Hα-helixtrans-65.1-37.6175.266.90000111.8Q367 A368 N373 C374 V375Q367-S371 PolarHBondContact O-N 3.2Å; Q367-S371 PolarHBondContact O-OG 2.83Å; A368-S371 PolarHBondContact O-OG 2.98Å; S371-N373 VanDerWaalsContact C-N 3.35Å; S371-N373 PolarHBondContact O-N 2.89Å; S371-C374 WeakPolarHBondContact O-CB 3.43Å; S371-C374 PolarHBondContact O-N 3.19Å; S371-V375 WeakPolarHBondContact O-CG2 3.42Å; S371-V375 PolarHBondContact O-N 2.71Å
372A47Very low48.4Very low18 Ų1881 Ų8115%0.14940%0.399CS..Hα-helixtrans-63.2-38.3172.500000112.5L212 A368 A369 M370 V375 L376L212-A372 HydrophobicContact CD1-CB 3.56Å; L212-A372 HydrophobicContact CD2-CB 4.04Å; L212-A372 HydrophobicContact CG-CB 4.46Å; A368-A372 WeakPolarHBondContact O-CB 3.42Å; A368-A372 PolarHBondContact O-N 3.06Å; A369-A372 PolarHBondContact O-N 2.95Å; M370-A372 VanDerWaalsContact C-N 3.32Å; M370-A372 PolarHBondContact O-N 3.17Å; A372-V375 WeakPolarHBondContact O-CB 3.26Å; A372-V375 PolarHBondContact O-N 3.21Å; A372-L376 VanDerWaalsContact O-CG 3.32Å; A372-L376 WeakPolarHBondContact O-CG 3.39Å; A372-L376 PolarHBondContact O-N 3.12Å
373N43.7Very low48.1Very low39 Ų3979.6 Ų79.621%0.20940%0.4CS..Hα-helixtrans-61.6-42.3172.1-75.7-20.1000111.8A369 M370 S371 V375 L376 D377A369-N373 PolarHBondContact O-N 3.06Å; M370-N373 WeakPolarHBondContact O-CB 3.2Å; M370-N373 PolarHBondContact O-N 2.91Å; S371-N373 VanDerWaalsContact C-N 3.35Å; S371-N373 PolarHBondContact O-N 2.89Å; N373-V375 VanDerWaalsContact C-N 3.33Å; N373-V375 PolarHBondContact O-N 3.47Å; N373-L376 PolarHBondContact O-N 2.62Å; N373-D377 PolarHBondContact O-N 3.29Å
374C50.3Low47.4Very low74 Ų7475.4 Ų75.450%0.539%0.392SS..Hα-helixtrans-62.1-38.1173.4-68.60000112.9M370 S371 L376 D377 R378M370-C374 PolarHBondContact O-N 3.05Å; S371-C374 WeakPolarHBondContact O-CB 3.43Å; S371-C374 PolarHBondContact O-N 3.19Å; C374-L376 VanDerWaalsContact C-N 3.32Å; C374-D377 PolarHBondContact O-N 3.37Å; C374-R378 PolarHBondContact O-N 2.6Å; C374-R378 VanDerWaalsContact O-N 3.16Å
375V43.5Very low47.1Very low86 Ų8674.3 Ų74.352%0.52139%0.392SS..Hα-helixtrans-64.1-40175.2171.30000110.8S371 A372 N373 R378 L379S371-V375 WeakPolarHBondContact O-CG2 3.42Å; S371-V375 PolarHBondContact O-N 2.71Å; A372-V375 WeakPolarHBondContact O-CB 3.26Å; A372-V375 PolarHBondContact O-N 3.21Å; N373-V375 VanDerWaalsContact C-N 3.33Å; N373-V375 PolarHBondContact O-N 3.47Å; V375-R378 PolarHBondContact O-N 3.4Å; V375-L379 HydrophobicContact CG1-CD1 4.2Å; V375-L379 PolarHBondContact O-N 3.11Å
376L48.4Very low46.7Very low26 Ų2669.4 Ų69.414%0.13638%0.381CS..Hα-helixtrans-66.9-45.1177.5-69.7162.7000111.5I216 A372 N373 C374 R378 L379 F380I216-L376 HydrophobicContact CB-CD1 4.46Å; I216-L376 HydrophobicContact CD1-CD1 3.73Å; I216-L376 HydrophobicContact CD1-CD2 4.3Å; I216-L376 HydrophobicContact CG1-CD1 3.49Å; I216-L376 VanDerWaalsContact CG1-CD1 3.49Å; I216-L376 HydrophobicContact CG2-CD1 4.41Å; A372-L376 VanDerWaalsContact O-CG 3.32Å; A372-L376 WeakPolarHBondContact O-CG 3.39Å; A372-L376 PolarHBondContact O-N 3.12Å; N373-L376 PolarHBondContact O-N 2.62Å; C374-L376 VanDerWaalsContact C-N 3.32Å; L376-R378 PolarHBondContact O-N 3.41Å; L376-L379 HydrophobicContact CD2-CD1 4.28Å; L376-L379 CarbonylContact O-C 3.58Å; L376-L379 WeakPolarHBondContact O-CA 3.31Å; L376-L379 WeakPolarHBondContact O-CB 3.27Å; L376-L379 PolarHBondContact O-N 3.44Å; L376-F380 HydrophobicContact CB-CD2 4.27Å; L376-F380 HydrophobicContact CB-CE2 4.11Å; L376-F380 WeakPolarHBondContact O-CD2 3.36Å; L376-F380 PolarHBondContact O-N 2.75Å
377D43.9Very low46.2Very low47 Ų4771 Ų7125%0.25140%0.397SS..Hα-helixtrans-54.7-40.1174.1-87.50.3000111.4Y219 N373 C374 F380 V381Y219-D377 PolarHBondContact OH-OD1 2.73Å; N373-D377 PolarHBondContact O-N 3.29Å; C374-D377 PolarHBondContact O-N 3.37Å; D377-F380 PolarHBondContact O-N 3.03Å; D377-V381 WeakPolarHBondContact O-CG2 3.46Å; D377-V381 PolarHBondContact O-N 3.12Å
378R42Very low45.5Very low186 Ų18674 Ų7470%0.70241%0.409SS*.Hα-helixtrans-65.6-44.5173.4-71.9-173.4178.8-166.81.7112.4C374 V375 L376 F380 V381 L382C374-R378 PolarHBondContact O-N 2.6Å; C374-R378 VanDerWaalsContact O-N 3.16Å; V375-R378 PolarHBondContact O-N 3.4Å; L376-R378 PolarHBondContact O-N 3.41Å; R378-F380 PolarHBondContact O-N 3.16Å; R378-V381 PolarHBondContact O-N 3.21Å; R378-L382 WeakPolarHBondContact O-CB 3.34Å; R378-L382 WeakPolarHBondContact O-CG 3.48Å; R378-L382 PolarHBondContact O-N 3.38Å
379L42.1Very low44.8Very low99 Ų9974.3 Ų74.352%0.51841%0.407SS..Hα-helixtrans-60-35.8174.4-75166.7000111.9V375 L376 L382 A383V375-L379 HydrophobicContact CG1-CD1 4.2Å; V375-L379 PolarHBondContact O-N 3.11Å; L376-L379 HydrophobicContact CD2-CD1 4.28Å; L376-L379 CarbonylContact O-C 3.58Å; L376-L379 WeakPolarHBondContact O-CA 3.31Å; L376-L379 WeakPolarHBondContact O-CB 3.27Å; L376-L379 PolarHBondContact O-N 3.44Å; L379-L382 PolarHBondContact O-N 3.08Å; L379-A383 WeakPolarHBondContact O-CB 3.04Å; L379-A383 PolarHBondContact O-N 2.85Å
380F47Very low44.1Very low71 Ų7179.7 Ų79.731%0.31143%0.434SS..Hα-helixtrans-71.8-43.7176.2-77.9-67.8000113Y219 F220 L376 D377 R378 L382 A383 A384Y219-F380 HydrophobicContact CD1-CE2 4.48Å; Y219-F380 HydrophobicContact CE1-CE2 4.06Å; F220-F380 HydrophobicContact CD1-CE1 4.11Å; F220-F380 AromaticContact CD1-CZ 3.72Å; F220-F380 HydrophobicContact CD1-CZ 3.72Å; F220-F380 HydrophobicContact CD2-CZ 4.33Å; F220-F380 AromaticContact CE1-CE1 3.3Å; F220-F380 HydrophobicContact CE1-CE1 3.3Å; F220-F380 HydrophobicContact CE1-CE2 4.39Å; F220-F380 AromaticContact CE1-CZ 3.11Å; F220-F380 HydrophobicContact CE1-CZ 3.11Å; F220-F380 HydrophobicContact CE2-CE2 4.47Å; F220-F380 AromaticContact CE2-CZ 3.77Å; F220-F380 HydrophobicContact CE2-CZ 3.77Å; F220-F380 HydrophobicContact CG-CZ 4.31Å; F220-F380 AromaticContact CZ-CE1 3.6Å; F220-F380 HydrophobicContact CZ-CE1 3.6Å; F220-F380 HydrophobicContact CZ-CE2 4.12Å; F220-F380 AromaticContact CZ-CZ 3.12Å; F220-F380 HydrophobicContact CZ-CZ 3.12Å; L376-F380 HydrophobicContact CB-CD2 4.27Å; L376-F380 HydrophobicContact CB-CE2 4.11Å; L376-F380 WeakPolarHBondContact O-CD2 3.36Å; L376-F380 PolarHBondContact O-N 2.75Å; D377-F380 PolarHBondContact O-N 3.03Å; R378-F380 PolarHBondContact O-N 3.16Å; F380-L382 PolarHBondContact O-N 3.08Å; F380-A383 PolarHBondContact O-N 2.74Å; F380-A384 VanDerWaalsContact O-CB 3.24Å; F380-A384 WeakPolarHBondContact O-CB 3.45Å; F380-A384 PolarHBondContact O-N 2.91Å
381V48.1Very low43.8Very low79 Ų7984.6 Ų84.648%0.47946%0.461SS..Hα-helixtrans-58.9-36.3172.6170.50000110D377 R378 K385D377-V381 WeakPolarHBondContact O-CG2 3.46Å; D377-V381 PolarHBondContact O-N 3.12Å; R378-V381 PolarHBondContact O-N 3.21Å; V381-K385 HydrophobicContact CG1-CD 4.2Å; V381-K385 WeakPolarHBondContact O-CB 3.06Å; V381-K385 WeakPolarHBondContact O-CG 3.25Å; V381-K385 PolarHBondContact O-N 3.38Å
382L41.7Very low42.9Very low108 Ų10891.2 Ų91.257%0.56549%0.485SS*.Hα-helixtrans-69.9-44.8175.3-69.1169.1000112.6R378 L379 F380 K385 S386R378-L382 WeakPolarHBondContact O-CB 3.34Å; R378-L382 WeakPolarHBondContact O-CG 3.48Å; R378-L382 PolarHBondContact O-N 3.38Å; L379-L382 PolarHBondContact O-N 3.08Å; F380-L382 PolarHBondContact O-N 3.08Å; L382-K385 WeakPolarHBondContact O-CB 3.23Å; L382-K385 PolarHBondContact O-N 2.68Å; L382-S386 PolarHBondContact O-N 2.81Å
383A42.8Very low42.2Very low48 Ų4895.4 Ų95.440%0.39751%0.513SS..Hα-helixtrans-66.1-39.9176.600000112.5L379 F380 K385 S386 T387L379-A383 WeakPolarHBondContact O-CB 3.04Å; L379-A383 PolarHBondContact O-N 2.85Å; F380-A383 PolarHBondContact O-N 2.74Å; A383-K385 VanDerWaalsContact C-N 3.28Å; A383-K385 PolarHBondContact O-N 3.46Å; A383-S386 PolarHBondContact O-N 2.84Å; A383-S386 PolarHBondContact O-OG 2.76Å; A383-T387 WeakPolarHBondContact O-CG2 3.44Å; A383-T387 PolarHBondContact O-N 3.11Å; A383-T387 PolarHBondContact O-OG1 3.28Å
384A40.2Very low41.6Very low53 Ų5399 Ų9944%0.43854%0.542SS..Hα-helixtrans-68.4-28.2174.600000112.4F380 T387 K388F380-A384 VanDerWaalsContact O-CB 3.24Å; F380-A384 WeakPolarHBondContact O-CB 3.45Å; F380-A384 PolarHBondContact O-N 2.91Å; A384-T387 PolarHBondContact O-OG1 2.96Å; A384-T387 VanDerWaalsContact O-OG1 3.09Å; A384-K388 PolarHBondContact O-N 2.71Å
385K45.8Very low41Very low136 Ų136104.2 Ų104.259%0.59156%0.559SS**Hα-helixtrans-72-37.5169.8-79.8174-179.4-178.10111.7V381 L382 A383 K388 S389V381-K385 HydrophobicContact CG1-CD 4.2Å; V381-K385 WeakPolarHBondContact O-CB 3.06Å; V381-K385 WeakPolarHBondContact O-CG 3.25Å; V381-K385 PolarHBondContact O-N 3.38Å; L382-K385 WeakPolarHBondContact O-CB 3.23Å; L382-K385 PolarHBondContact O-N 2.68Å; A383-K385 VanDerWaalsContact C-N 3.28Å; A383-K385 PolarHBondContact O-N 3.46Å; K385-K388 PolarHBondContact O-N 2.7Å; K385-S389 PolarHBondContact O-N 2.89Å; K385-S389 VanDerWaalsContact O-N 3.12Å; K385-S389 PolarHBondContact O-OG 3.38Å
386S44.9Very low40.5Very low52 Ų52105.2 Ų105.236%0.36457%0.565SS.*Hα-helixtrans-66.9-39.4177.181.40000111.8L382 A383 K388 S389 D390L382-S386 PolarHBondContact O-N 2.81Å; A383-S386 PolarHBondContact O-N 2.84Å; A383-S386 PolarHBondContact O-OG 2.76Å; S386-K388 VanDerWaalsContact C-N 3.31Å; S386-K388 PolarHBondContact O-N 3.35Å; S386-S389 WeakPolarHBondContact CA-OG 3.39Å; S386-S389 PolarHBondContact O-N 2.71Å; S386-S389 PolarHBondContact O-OG 2.99Å; S386-D390 PolarHBondContact O-N 2.66Å
387T40.1Very low39.9Very low95 Ų95110.5 Ų110.558%0.58360%0.599SS**Hα-helixtrans-69.1-27176.657.10000113.3A383 A384A383-T387 WeakPolarHBondContact O-CG2 3.44Å; A383-T387 PolarHBondContact O-N 3.11Å; A383-T387 PolarHBondContact O-OG1 3.28Å; A384-T387 PolarHBondContact O-OG1 2.96Å; A384-T387 VanDerWaalsContact O-OG1 3.09Å
388K40.4Very low39.5Very low179 Ų179113.3 Ų113.378%0.77862%0.622SS**Hα-helixtrans-77.9-24.2171.9-80-175.1176.8-178.90113.7A384 K385 S386A384-K388 PolarHBondContact O-N 2.71Å; K385-K388 PolarHBondContact O-N 2.7Å; S386-K388 VanDerWaalsContact C-N 3.31Å; S386-K388 PolarHBondContact O-N 3.35Å
389S41.1Very low38.9Very low61 Ų61110.3 Ų110.343%0.42762%0.616SS.*Hα-helixtrans-83.6-19.517756.10000113.6K385 S386 D391 K392K385-S389 PolarHBondContact O-N 2.89Å; K385-S389 VanDerWaalsContact O-N 3.12Å; K385-S389 PolarHBondContact O-OG 3.38Å; S386-S389 WeakPolarHBondContact CA-OG 3.39Å; S386-S389 PolarHBondContact O-N 2.71Å; S386-S389 PolarHBondContact O-OG 2.99Å; S389-D391 PolarHBondContact O-N 3.41Å; S389-D391 VanDerWaalsContact O-N 3.17Å; S389-K392 PolarHBondContact O-N 3.19Å
390D36.8Very low38.4Very low127 Ų127112.4 Ų112.468%0.67963%0.625SS**THydrogen-bonded Turntrans-71.9-5.2-178.3-73.4-19000114S386 K392S386-D390 PolarHBondContact O-N 2.66Å; D390-K392 VanDerWaalsContact C-N 3.31Å
391D37.1Very low37.6Very low153 Ų153116.8 Ų116.882%0.81865%0.648SS**THydrogen-bonded Turntrans-83.21.5170.6-84.8-19.6000114.2S389S389-D391 PolarHBondContact O-N 3.41Å; S389-D391 VanDerWaalsContact O-N 3.17Å
392K32.9Very low36.7Very low178 Ų178121.7 Ų121.777%0.77466%0.658SS**SBendtrans-138102.7170.6-74.1-170.1178.6179.10113.1S389 D390S389-K392 PolarHBondContact O-N 3.19Å; D390-K392 VanDerWaalsContact C-N 3.31Å
393S34.2Very low36.1Very low106 Ų106121.8 Ų121.874%0.74166%0.659SS**  trans55.6121.4148.960.10000118.8
394S31.1Very low35.8Very low114 Ų114124.6 Ų124.680%0.79767%0.671SS**SBendtrans-20.4146.4157.252.80000117.5
395E36.7Very low35.2Very low185 Ų185129.5 Ų129.586%0.86469%0.69SS**  trans101.137.3157.5-119.2173.2-157.600119.4
396T33.9Very low34.4Very low106 Ų106126.5 Ų126.565%0.6569%0.686SS**  trans-140.923.1164.510.30000117.4S398 H399T396-S398 VanDerWaalsContact C-N 3.26Å; T396-S398 PolarHBondContact O-N 3.33Å; T396-H399 PolarHBondContact O-N 3.32Å
397T34.4Very low33.6Very low137 Ų137128.5 Ų128.584%0.8470%0.696SS**THydrogen-bonded Turntrans-70.6-10.2-17933.50000115.6
398S36.9Very low33Very low107 Ų107130.2 Ų130.275%0.74871%0.706SS**THydrogen-bonded Turntrans-90-13.2175.8-79.60000115.2T396T396-S398 VanDerWaalsContact C-N 3.26Å; T396-S398 PolarHBondContact O-N 3.33Å
399H29.7Very low32.6Very low122 Ų122130.4 Ų130.457%0.56570%0.703SS**THydrogen-bonded Turntrans-88.5-23.8-176.7-120.2-80.5000113.7T396 R402T396-H399 PolarHBondContact O-N 3.32Å; H399-R402 PolarHBondContact O-N 3.29Å
400M31.1Very low31.9Very low144 Ų144133.8 Ų133.871%0.70972%0.716SS**Hα-helixtrans-74.6-30.6-177.1-76.9-167.2170.800114R402 N403M400-R402 VanDerWaalsContact C-N 3.26Å; M400-R402 PolarHBondContact O-N 3.32Å; M400-N403 PolarHBondContact O-N 3.19Å
401M29.5Very low31.4Very low163 Ų163134.3 Ų134.380%0.80372%0.715SS**Hα-helixtrans-69.1-22.1176.7-79-168.2176.300113.4
402R29.7Very low31Very low181 Ų181130.9 Ų130.968%0.68371%0.707SS**Hα-helixtrans-75.7-26.8177.3-77.8-172.9-173.4147.81.5113.6H399 M400H399-R402 PolarHBondContact O-N 3.29Å; M400-R402 VanDerWaalsContact C-N 3.26Å; M400-R402 PolarHBondContact O-N 3.32Å
403N29.2Very low30.8Very low111 Ų111129 Ų12959%0.59471%0.705SS**Hα-helixtrans-79-17.4-178.6-90.7-0.3000114.1M400 N405 S406M400-N403 PolarHBondContact O-N 3.19Å; N403-N405 PolarHBondContact O-N 3.34Å; N403-S406 PolarHBondContact O-N 2.83Å; N403-S406 VanDerWaalsContact O-N 3.11Å; N403-S406 PolarHBondContact O-OG 3.01Å
404V35.2Very low30.6Very low107 Ų107132 Ų13265%0.64870%0.7SS**G310 helixtrans-63.8-29.3175.8-177.10000111.5S406V404-S406 VanDerWaalsContact C-N 3.3Å; V404-S406 PolarHBondContact O-N 2.82Å
405N28.9Very low30.4Very low155 Ų155128.8 Ų128.883%0.82969%0.685SS**G310 helixtrans-78.3-8.6176.9-75.2-4.9000114.2N403N403-N405 PolarHBondContact O-N 3.34Å
406S28.8Very low29.9Very low74 Ų74129 Ų12952%0.51769%0.686SS.*G310 helixtrans-103.60.8-176.474.70000114.5N403 V404 V408N403-S406 PolarHBondContact O-N 2.83Å; N403-S406 VanDerWaalsContact O-N 3.11Å; N403-S406 PolarHBondContact O-OG 3.01Å; V404-S406 VanDerWaalsContact C-N 3.3Å; V404-S406 PolarHBondContact O-N 2.82Å; S406-V408 PolarHBondContact O-N 2.86Å
407V29Very low29.9Very low94 Ų94132.4 Ų132.457%0.5769%0.692SS**  trans-72.986.1169.3-174.30000107Y409V407-Y409 WeakPolarHBondContact O-CD2 3.36Å; V407-Y409 PolarHBondContact O-N 2.59Å
408V26.2Very low29.6Very low130 Ų130133.3 Ų133.379%0.78869%0.692SS**  trans-56.8106.5162.5178.80000105.3S406 D410S406-V408 PolarHBondContact O-N 2.86Å; V408-D410 PolarHBondContact O-N 2.86Å
409Y31.6Very low29.2Very low183 Ų183141 Ų14172%0.71872%0.716SS**  trans-62.7104.9171.9-79.8-91.5000106.6V407 H411V407-Y409 WeakPolarHBondContact O-CD2 3.36Å; V407-Y409 PolarHBondContact O-N 2.59Å; Y409-H411 PolarHBondContact O-CD2 3.15Å; Y409-H411 PolarHBondContact O-N 2.9Å
410D26.2Very low29.2Very low132 Ų132142 Ų14271%0.70672%0.724SS**  trans-66.5105.8165.6-155.5-10.4000106.1V408 A412V408-D410 PolarHBondContact O-N 2.86Å; D410-A412 PolarHBondContact O-N 3.34Å
411H27.4Very low29.1Very low139 Ų139141.9 Ų141.964%0.64473%0.725SS**G310 helixtrans-62.50.2-177.7-80.4-83.3000112.5Y409 L413 W414Y409-H411 PolarHBondContact O-CD2 3.15Å; Y409-H411 PolarHBondContact O-N 2.9Å; H411-L413 PolarHBondContact O-N 3.33Å; H411-L413 VanDerWaalsContact O-N 3.09Å; H411-W414 CarbonylContact O-C 3.5Å; H411-W414 WeakPolarHBondContact O-CA 3.08Å; H411-W414 PolarHBondContact O-N 3.04Å; H411-W414 VanDerWaalsContact O-O 3.05Å
412A27.6Very low29.1Very low80 Ų80140.7 Ų140.766%0.66172%0.72SS**G310 helixtrans-57.7-18.3173.400000115.2D410 W414D410-A412 PolarHBondContact O-N 3.34Å; A412-W414 PolarHBondContact O-N 2.88Å
413L29.6Very low29.1Very low139 Ų139138.4 Ų138.473%0.72872%0.722SS**G310 helixtrans-73.2-16171.2-127.9113.1000113H411H411-L413 PolarHBondContact O-N 3.33Å; H411-L413 VanDerWaalsContact O-N 3.09Å
414W28.8Very low29.1Very low169 Ų169140.1 Ų140.164%0.6473%0.731SS**SBendtrans-110.179.7171.9-54.893.1000106.6H411 A412 E416H411-W414 CarbonylContact O-C 3.5Å; H411-W414 WeakPolarHBondContact O-CA 3.08Å; H411-W414 PolarHBondContact O-N 3.04Å; H411-W414 VanDerWaalsContact O-O 3.05Å; A412-W414 PolarHBondContact O-N 2.88Å; W414-E416 PolarHBondContact O-N 3.31Å
415G27.8Very low28.6Very low47 Ų47142.3 Ų142.349%0.48574%0.736SS.*  trans-47.2130.517200000109.5F417G415-F417 WeakPolarHBondContact O-CD2 3.42Å; G415-F417 WeakPolarHBondContact O-CE2 3.45Å; G415-F417 PolarHBondContact O-N 3.2Å; G415-F417 VanDerWaalsContact O-N 3.1Å
416E26.4Very low28.6Very low190 Ų190141.4 Ų141.489%0.88873%0.729SS**  trans-46.3117.9178.8-73.6175.4148.500109.4W414 D418W414-E416 PolarHBondContact O-N 3.31Å; E416-D418 PolarHBondContact O-N 3.47Å
417F33.1Very low28.6Very low177 Ų177146.5 Ų146.578%0.77675%0.746SS**  trans-90.791.7175.4-71.3-84.6000106.8G415G415-F417 WeakPolarHBondContact O-CD2 3.42Å; G415-F417 WeakPolarHBondContact O-CE2 3.45Å; G415-F417 PolarHBondContact O-N 3.2Å; G415-F417 VanDerWaalsContact O-N 3.1Å
418D28.5Very low28.6Very low156 Ų156150.9 Ų150.983%0.83476%0.76SS**  trans-67.5132.3161.8-77.7-29.8000108.6E416E416-D418 PolarHBondContact O-N 3.47Å
419E29.6Very low28.8Very low269 Ų269152.8 Ų152.8100%1.25776%0.758SS**  trans-580-171.1-70.7-176.5143.600115.5

Retrieved 419 of 419 residues in 135.5 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).