A0A3Q0KPL7_SCHMA Loading...

Citrate transport protein

AlphaFold DB , UniProt , Accession A0A3Q0KPL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 310 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
1M36.1Very low46Very low223 Ų223129.5 Ų129.5100%1.09970%0.704SS**  094.90-89.9175.5166.500108.7H3M1-H3 VanDerWaalsContact C-N 3.26Å; M1-H3 PolarHBondContact O-N 3.47Å
2V37.7Very low48.6Very low156 Ų156122.9 Ų122.995%0.94567%0.672SS**  trans-91.576.7163.3-1780000105.2
3H33.7Very low50.7Low147 Ų147121.4 Ų121.468%0.68166%0.662SS**  trans-82.5115.3168.6-107.3-71000107.7M1 S5M1-H3 VanDerWaalsContact C-N 3.26Å; M1-H3 PolarHBondContact O-N 3.47Å; H3-S5 PolarHBondContact O-N 3.49Å
4E39Very low52.8Low151 Ų151120.7 Ų120.771%0.70666%0.655SS**  trans-6.2112.9160.2-7216097.800116.9Q6E4-Q6 VanDerWaalsContact C-N 3.34Å
5S39.9Very low54.5Low121 Ų121118.5 Ų118.585%0.84664%0.639SS**  trans-100.749146.2620000110.4H3 G7H3-S5 PolarHBondContact O-N 3.49Å; S5-G7 PolarHBondContact O-N 2.92Å; S5-G7 VanDerWaalsContact O-N 3.1Å
6Q45Very low55.9Low137 Ų137120.4 Ų120.464%0.6464%0.639SS**  trans-80.556.6161.6-64-138.335.400109.7E4E4-Q6 VanDerWaalsContact C-N 3.34Å
7G52Low57.3Low54 Ų54118.5 Ų118.556%0.55763%0.634SS**  trans-96.4-57.2-160.800000117.3S5S5-G7 PolarHBondContact O-N 2.92Å; S5-G7 VanDerWaalsContact O-N 3.1Å
8P49.9Very low58.7Low92 Ų92116.2 Ų116.260%0.59762%0.624SS**SBendtrans-130.1-22.7-173.215.27.2000116.7S11 T12P8-S11 PolarHBondContact O-OG 3.46Å; P8-S11 VanDerWaalsContact O-OG 3.11Å; P8-T12 WeakPolarHBondContact O-CB 3.29Å; P8-T12 WeakPolarHBondContact O-CG2 3.45Å; P8-T12 PolarHBondContact O-N 3.45Å; P8-T12 PolarHBondContact O-OG1 2.98Å
9H54.6Low59.7Low154 Ų154112.2 Ų112.271%0.71360%0.601SS**Hα-helixtrans-81.8-30.2-167.3-149.4-63.7000113.5T12 L13H9-T12 WeakPolarHBondContact CA-OG1 3.36Å; H9-T12 PolarHBondContact O-OG1 3.38Å; H9-L13 WeakPolarHBondContact O-CB 3.49Å; H9-L13 PolarHBondContact O-N 2.89Å
10K56.4Low60.7Low135 Ų135108.8 Ų108.859%0.58759%0.593SS**Hα-helixtrans-77.5-43.6175.5-71.6-175.4-175.1173.60111.9L13 I14K10-L13 PolarHBondContact O-N 2.9Å; K10-I14 WeakPolarHBondContact O-CG1 3.28Å; K10-I14 PolarHBondContact O-N 2.94Å
11S62.5Low61.6Low54 Ų54106.8 Ų106.838%0.37859%0.591SS.*Hα-helixtrans-60.9-46.3177.150.90000111P8 L13 I14 E15P8-S11 PolarHBondContact O-OG 3.46Å; P8-S11 VanDerWaalsContact O-OG 3.11Å; S11-L13 VanDerWaalsContact C-N 3.33Å; S11-L13 PolarHBondContact O-N 2.88Å; S11-I14 PolarHBondContact O-N 3.43Å; S11-E15 WeakPolarHBondContact O-CB 3.39Å; S11-E15 WeakPolarHBondContact O-CG 3.09Å; S11-E15 PolarHBondContact O-N 3.04Å
12T76.7Confident63.9Low51 Ų51100.6 Ų100.631%0.31356%0.562SS.*Hα-helixtrans-64-34.1175.553.80000113.2P8 H9 K16P8-T12 WeakPolarHBondContact O-CB 3.29Å; P8-T12 WeakPolarHBondContact O-CG2 3.45Å; P8-T12 PolarHBondContact O-N 3.45Å; P8-T12 PolarHBondContact O-OG1 2.98Å; H9-T12 WeakPolarHBondContact CA-OG1 3.36Å; H9-T12 PolarHBondContact O-OG1 3.38Å; T12-K16 VanDerWaalsContact O-CB 3.3Å; T12-K16 WeakPolarHBondContact O-CB 3.39Å; T12-K16 WeakPolarHBondContact O-CG 3.36Å; T12-K16 PolarHBondContact O-N 2.77Å
13L76.1Confident65.9Low103 Ų10393.3 Ų93.354%0.53952%0.518SS..Hα-helixtrans-70.6-42.1175.8-172.765.8000112.1H9 K10 S11 K16 T17H9-L13 WeakPolarHBondContact O-CB 3.49Å; H9-L13 PolarHBondContact O-N 2.89Å; K10-L13 PolarHBondContact O-N 2.9Å; S11-L13 VanDerWaalsContact C-N 3.33Å; S11-L13 PolarHBondContact O-N 2.88Å; L13-K16 PolarHBondContact O-N 3.23Å; L13-T17 WeakPolarHBondContact O-CB 3.45Å; L13-T17 PolarHBondContact O-N 2.92Å; L13-T17 PolarHBondContact O-OG1 2.92Å
14I79.4Confident68Low112 Ų11288.4 Ų88.457%0.57451%0.507SS*.Hα-helixtrans-62.8-47.7174.4-67.2167.4000109.5K10 S11 K16 T17 V18K10-I14 WeakPolarHBondContact O-CG1 3.28Å; K10-I14 PolarHBondContact O-N 2.94Å; S11-I14 PolarHBondContact O-N 3.43Å; I14-K16 PolarHBondContact O-N 2.71Å; I14-T17 PolarHBondContact O-N 2.95Å; I14-T17 VanDerWaalsContact O-N 3.15Å; I14-V18 HydrophobicContact CG2-CG2 4.23Å; I14-V18 WeakPolarHBondContact O-CB 3.43Å; I14-V18 WeakPolarHBondContact O-CG2 3.44Å; I14-V18 PolarHBondContact O-N 3.49Å
15E78.2Confident70.2Confident87 Ų8783.6 Ų83.641%0.40750%0.498SS..Hα-helixtrans-56-48.5174.9-78.6-178.8-158.900111.4S11 T17 V18 K19 K309S11-E15 WeakPolarHBondContact O-CB 3.39Å; S11-E15 WeakPolarHBondContact O-CG 3.09Å; S11-E15 PolarHBondContact O-N 3.04Å; E15-T17 VanDerWaalsContact C-N 3.32Å; E15-T17 PolarHBondContact O-N 3.36Å; E15-V18 PolarHBondContact O-N 3.32Å; E15-K19 WeakPolarHBondContact O-CB 3.39Å; E15-K19 PolarHBondContact O-N 3.07Å; E15-K309 IonicContact OE2-NZ 2.87Å; E15-K309 PolarHBondContact OE2-NZ 3.02Å
16K77.8Confident72.3Confident149 Ų14980.8 Ų80.865%0.64848%0.475SS*.Hα-helixtrans-61.3-39.3177.2-77.1172.4-178.5-1790112.3T12 L13 I14 G20T12-K16 VanDerWaalsContact O-CB 3.3Å; T12-K16 WeakPolarHBondContact O-CB 3.39Å; T12-K16 WeakPolarHBondContact O-CG 3.36Å; T12-K16 PolarHBondContact O-N 2.77Å; L13-K16 PolarHBondContact O-N 3.23Å; I14-K16 PolarHBondContact O-N 2.71Å; K16-G20 PolarHBondContact O-N 3.36Å
17T79.9Confident74.1Confident89 Ų8975 Ų7555%0.54645%0.45SS..Hα-helixtrans-69-47179.7-56.20000111.2L13 I14 E15 G20 A21L13-T17 WeakPolarHBondContact O-CB 3.45Å; L13-T17 PolarHBondContact O-N 2.92Å; L13-T17 PolarHBondContact O-OG1 2.92Å; I14-T17 PolarHBondContact O-N 2.95Å; I14-T17 VanDerWaalsContact O-N 3.15Å; E15-T17 VanDerWaalsContact C-N 3.32Å; E15-T17 PolarHBondContact O-N 3.36Å; T17-G20 PolarHBondContact O-N 3.08Å; T17-A21 WeakPolarHBondContact O-CB 3.17Å; T17-A21 PolarHBondContact O-N 3.38Å
18V81.3Confident75.6Confident76 Ų7673.7 Ų73.746%0.46144%0.436SS..Hα-helixtrans-63.7-43.6175.9173.50000110.5I14 E15 G20 A21 I22I14-V18 HydrophobicContact CG2-CG2 4.23Å; I14-V18 WeakPolarHBondContact O-CB 3.43Å; I14-V18 WeakPolarHBondContact O-CG2 3.44Å; I14-V18 PolarHBondContact O-N 3.49Å; E15-V18 PolarHBondContact O-N 3.32Å; V18-G20 PolarHBondContact O-N 2.95Å; V18-A21 PolarHBondContact O-N 3.17Å; V18-I22 HydrophobicContact CG1-CD1 3.76Å; V18-I22 HydrophobicContact CG1-CG1 4.4Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 PolarHBondContact O-N 2.95Å
19K77.9Confident77.4Confident41 Ų4171 Ų7118%0.17842%0.422CS..Hα-helixtrans-56.8-48.2175-178.7172.4-176.3-1790110.8E15 A23 F301 W305E15-K19 WeakPolarHBondContact O-CB 3.39Å; E15-K19 PolarHBondContact O-N 3.07Å; K19-A23 WeakPolarHBondContact O-CB 3.32Å; K19-A23 PolarHBondContact O-N 3.12Å; K19-F301 HydrophobicContact CB-CE1 4.41Å; K19-F301 HydrophobicContact CD-CE1 3.81Å; K19-F301 HydrophobicContact CD-CZ 4.35Å; K19-F301 HydrophobicContact CG-CD1 4.25Å; K19-F301 HydrophobicContact CG-CE1 3.16Å; K19-F301 HydrophobicContact CG-CZ 3.56Å; K19-W305 HydrophobicContact CD-CG 4.49Å
20G79.7Confident78.9Confident43 Ų4367 Ų6744%0.44340%0.404SS..Hα-helixtrans-63.6-39.617600000113.4K16 T17 V18 G24K16-G20 PolarHBondContact O-N 3.36Å; T17-G20 PolarHBondContact O-N 3.08Å; V18-G20 PolarHBondContact O-N 2.95Å; G20-G24 PolarHBondContact O-N 3.24Å
21A81Confident80.2Confident68 Ų6862.3 Ų62.356%0.56239%0.385SS*.Hα-helixtrans-67.3-44.7178.600000112.4T17 V18 G25T17-A21 WeakPolarHBondContact O-CB 3.17Å; T17-A21 PolarHBondContact O-N 3.38Å; V18-A21 PolarHBondContact O-N 3.17Å; A21-G25 PolarHBondContact O-N 3.37Å
22I83Confident81.5Confident93 Ų9361.1 Ų61.148%0.47737%0.374SS..Hα-helixtrans-65-46.4176.1-66.2169.7000110.1V18 G24 G25 V26V18-I22 HydrophobicContact CG1-CD1 3.76Å; V18-I22 HydrophobicContact CG1-CG1 4.4Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 PolarHBondContact O-N 2.95Å; I22-G24 PolarHBondContact O-N 3.23Å; I22-G25 PolarHBondContact O-N 2.99Å; I22-V26 HydrophobicContact CG2-CG2 4.4Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 3.21Å
23A79.2Confident82Confident3 Ų360.8 Ų60.83%0.02537%0.373CS..Hα-helixtrans-58.3-47.1177.700000112.4K19 V26 T27 F297 M298 F301K19-A23 WeakPolarHBondContact O-CB 3.32Å; K19-A23 PolarHBondContact O-N 3.12Å; A23-V26 PolarHBondContact O-N 3.4Å; A23-T27 VanDerWaalsContact O-CB 3.25Å; A23-T27 WeakPolarHBondContact O-CB 3.28Å; A23-T27 PolarHBondContact O-N 3.26Å; A23-T27 PolarHBondContact O-OG1 3Å; A23-F297 HydrophobicContact CB-CD1 4.3Å; A23-F297 HydrophobicContact CB-CE1 3.56Å; A23-F297 HydrophobicContact CB-CZ 4.47Å; A23-M298 HydrophobicContact CB-CE 3.79Å; A23-F301 HydrophobicContact CB-CD1 4.11Å; A23-F301 HydrophobicContact CB-CE1 3.75Å; A23-F301 HydrophobicContact CB-CZ 4.25Å
24G79.7Confident82.5Confident44 Ų4460 Ų6045%0.45437%0.369SS..Hα-helixtrans-63.8-40176.500000112.6G20 I22 G28G20-G24 PolarHBondContact O-N 3.24Å; I22-G24 PolarHBondContact O-N 3.23Å; G24-G28 PolarHBondContact O-N 3.03Å
25G84.6Confident82.9Confident49 Ų4954.7 Ų54.751%0.50534%0.341SS..Hα-helixtrans-63.6-46.2176.600000113.1A21 I22 G28 A29A21-G25 PolarHBondContact O-N 3.37Å; I22-G25 PolarHBondContact O-N 2.99Å; G25-G28 PolarHBondContact O-N 3.31Å; G25-A29 WeakPolarHBondContact O-CB 3.45Å; G25-A29 PolarHBondContact O-N 3.28Å
26V84Confident83.4Confident62 Ų6250.6 Ų50.638%0.37632%0.322SS..Hα-helixtrans-67-44.8177.6175.60000111I22 A23 G28 A29 I30 F297I22-V26 HydrophobicContact CG2-CG2 4.4Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 3.21Å; A23-V26 PolarHBondContact O-N 3.4Å; V26-G28 VanDerWaalsContact C-N 3.33Å; V26-G28 PolarHBondContact O-N 3.4Å; V26-A29 PolarHBondContact O-N 3.02Å; V26-A29 VanDerWaalsContact O-N 3.17Å; V26-I30 HydrophobicContact CG1-CD1 3.9Å; V26-I30 HydrophobicContact CG1-CG1 4.45Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 2.87Å; V26-F297 HydrophobicContact CB-CE2 4.03Å; V26-F297 HydrophobicContact CB-CZ 3.94Å; V26-F297 HydrophobicContact CG1-CD2 4.39Å; V26-F297 HydrophobicContact CG1-CE2 3.48Å; V26-F297 VanDerWaalsContact CG1-CE2 3.48Å; V26-F297 HydrophobicContact CG1-CZ 3.91Å
27T82.4Confident84Confident17 Ų1744.8 Ų44.810%0.10430%0.299CS..Hα-helixtrans-56.2-48.8175.7-62.60000111A23 A29 I30 E31 I293 F297A23-T27 VanDerWaalsContact O-CB 3.25Å; A23-T27 WeakPolarHBondContact O-CB 3.28Å; A23-T27 PolarHBondContact O-N 3.26Å; A23-T27 PolarHBondContact O-OG1 3Å; T27-A29 VanDerWaalsContact C-N 3.34Å; T27-A29 PolarHBondContact O-N 2.91Å; T27-I30 PolarHBondContact O-N 3.02Å; T27-E31 WeakPolarHBondContact O-CB 3.43Å; T27-E31 PolarHBondContact O-N 2.66Å; T27-I293 HydrophobicContact CG2-CB 4.5Å; T27-I293 HydrophobicContact CG2-CG2 3.74Å; T27-F297 WeakPolarHBondContact OG1-CD1 3.34Å
28G83.6Confident84.4Confident26 Ų2642 Ų4227%0.26828%0.282SS..Hα-helixtrans-62.7-37.6177.400000113.1G24 G25 V26 E31 I32G24-G28 PolarHBondContact O-N 3.03Å; G25-G28 PolarHBondContact O-N 3.31Å; V26-G28 VanDerWaalsContact C-N 3.33Å; V26-G28 PolarHBondContact O-N 3.4Å; G28-E31 PolarHBondContact O-N 3.01Å; G28-I32 WeakPolarHBondContact O-CB 3.43Å; G28-I32 WeakPolarHBondContact O-CD1 3.41Å; G28-I32 WeakPolarHBondContact O-CG1 3.35Å; G28-I32 PolarHBondContact O-N 3.49Å
29A87.5Confident84.6Confident36 Ų3639.1 Ų39.130%0.29826%0.264SS..Hα-helixtrans-64.8-42.7175.900000112.2G25 V26 T27 I32 C33 L84G25-A29 WeakPolarHBondContact O-CB 3.45Å; G25-A29 PolarHBondContact O-N 3.28Å; V26-A29 PolarHBondContact O-N 3.02Å; V26-A29 VanDerWaalsContact O-N 3.17Å; T27-A29 VanDerWaalsContact C-N 3.34Å; T27-A29 PolarHBondContact O-N 2.91Å; A29-I32 PolarHBondContact O-N 3.2Å; A29-C33 PolarHBondContact O-N 3.23Å; A29-C33 PolarHBondContact O-SG 3.41Å; A29-L84 HydrophobicContact CB-CD2 4.1Å
30I86.3Confident85.2Confident68 Ų6837.2 Ų37.235%0.34926%0.256SS..Hα-helixtrans-65.3-45177.1-62166.9000110.3V26 T27 I32 C33 I34 I293V26-I30 HydrophobicContact CG1-CD1 3.9Å; V26-I30 HydrophobicContact CG1-CG1 4.45Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 2.87Å; T27-I30 PolarHBondContact O-N 3.02Å; I30-I32 VanDerWaalsContact C-N 3.33Å; I30-I32 PolarHBondContact O-N 3.37Å; I30-C33 WeakPolarHBondContact O-CB 3.14Å; I30-C33 PolarHBondContact O-N 3.28Å; I30-C33 VanDerWaalsContact O-N 3.14Å; I30-I34 HydrophobicContact CG2-CD1 3.81Å; I30-I34 HydrophobicContact CG2-CG1 4.49Å; I30-I34 WeakPolarHBondContact O-CG1 3.3Å; I30-I34 PolarHBondContact O-N 3.39Å; I30-I293 HydrophobicContact CB-CD1 4.22Å; I30-I293 HydrophobicContact CG2-CD1 3.62Å
31E84.4Confident85.6Confident37 Ų3735.6 Ų35.617%0.17324%0.237CC..Hα-helixtrans-59.3-44176.9-172.7-168.4114.700111.7T27 G28 C33 I34 T35 I289 S290T27-E31 WeakPolarHBondContact O-CB 3.43Å; T27-E31 PolarHBondContact O-N 2.66Å; G28-E31 PolarHBondContact O-N 3.01Å; E31-C33 VanDerWaalsContact C-N 3.35Å; E31-C33 PolarHBondContact O-N 3Å; E31-I34 PolarHBondContact O-N 3.07Å; E31-T35 HydrophobicContact CG-CG2 4.3Å; E31-T35 WeakPolarHBondContact O-CB 3.32Å; E31-T35 VanDerWaalsContact O-CG2 3.32Å; E31-T35 WeakPolarHBondContact O-CG2 3.4Å; E31-T35 PolarHBondContact O-N 3.35Å; E31-T35 PolarHBondContact O-OG1 2.76Å; E31-I289 HydrophobicContact CB-CG2 4.39Å; E31-I289 HydrophobicContact CG-CG2 4.02Å; E31-S290 PolarHBondContact OE2-OG 3.29Å
32I88.2Confident85.9Confident29 Ų2932.7 Ų32.715%0.14921%0.212CC..Hα-helixtrans-58.7-48.7174.5-71.6165.6000109.7G28 A29 I30 I34 T35 F36 L80 L83 L84G28-I32 WeakPolarHBondContact O-CB 3.43Å; G28-I32 WeakPolarHBondContact O-CD1 3.41Å; G28-I32 WeakPolarHBondContact O-CG1 3.35Å; G28-I32 PolarHBondContact O-N 3.49Å; A29-I32 PolarHBondContact O-N 3.2Å; I30-I32 VanDerWaalsContact C-N 3.33Å; I30-I32 PolarHBondContact O-N 3.37Å; I32-I34 VanDerWaalsContact C-N 3.32Å; I32-I34 PolarHBondContact O-N 3.29Å; I32-T35 PolarHBondContact O-N 2.87Å; I32-F36 WeakPolarHBondContact O-CA 3.26Å; I32-F36 WeakPolarHBondContact O-CB 3.26Å; I32-F36 PolarHBondContact O-N 3.22Å; I32-L80 HydrophobicContact CG2-CD1 3.69Å; I32-L83 HydrophobicContact CG2-CB 4.2Å; I32-L84 HydrophobicContact CB-CD2 4.23Å; I32-L84 HydrophobicContact CD1-CD2 4.32Å; I32-L84 HydrophobicContact CG2-CD2 3.99Å; I32-L84 HydrophobicContact CG2-CG 4.49Å
33C88.9Confident86Confident44 Ų4428.5 Ų28.530%0.29719%0.191SC..Hα-helixtrans-59.4-38.7179.7-72.20000113.2A29 I30 E31 Y77A29-C33 PolarHBondContact O-N 3.23Å; A29-C33 PolarHBondContact O-SG 3.41Å; I30-C33 WeakPolarHBondContact O-CB 3.14Å; I30-C33 PolarHBondContact O-N 3.28Å; I30-C33 VanDerWaalsContact O-N 3.14Å; E31-C33 VanDerWaalsContact C-N 3.35Å; E31-C33 PolarHBondContact O-N 3Å; C33-Y77 VanDerWaalsContact O-CE1 3.26Å; C33-Y77 WeakPolarHBondContact O-CE1 3.22Å; C33-Y77 PolarHBondContact O-OH 3Å
34I86.6Confident86.4Confident87 Ų8728.4 Ų28.445%0.44619%0.19SC..Hα-helixtrans-76.3-39.7-180-63164.5000111.2I30 E31 I32 P37 I289 I293I30-I34 HydrophobicContact CG2-CD1 3.81Å; I30-I34 HydrophobicContact CG2-CG1 4.49Å; I30-I34 WeakPolarHBondContact O-CG1 3.3Å; I30-I34 PolarHBondContact O-N 3.39Å; E31-I34 PolarHBondContact O-N 3.07Å; I32-I34 VanDerWaalsContact C-N 3.32Å; I32-I34 PolarHBondContact O-N 3.29Å; I34-P37 WeakPolarHBondContact O-CD 3.18Å; I34-I289 HydrophobicContact CB-CD1 4.1Å; I34-I289 HydrophobicContact CD1-CG2 4.36Å; I34-I289 HydrophobicContact CG2-CD1 3.39Å; I34-I289 HydrophobicContact CG2-CG1 4.29Å; I34-I293 HydrophobicContact CD1-CD1 3.84Å
35T86.7Confident86.7Confident1 Ų127.3 Ų27.31%0.00617%0.173CC..Hα-helixtrans-86-8.4-17664.20000113.8E31 I32 T38 E39 R282 I289E31-T35 HydrophobicContact CG-CG2 4.3Å; E31-T35 WeakPolarHBondContact O-CB 3.32Å; E31-T35 VanDerWaalsContact O-CG2 3.32Å; E31-T35 WeakPolarHBondContact O-CG2 3.4Å; E31-T35 PolarHBondContact O-N 3.35Å; E31-T35 PolarHBondContact O-OG1 2.76Å; I32-T35 PolarHBondContact O-N 2.87Å; T35-T38 PolarHBondContact O-N 3.16Å; T35-E39 PolarHBondContact O-N 3.21Å; T35-R282 VanDerWaalsContact CB-NH1 3.3Å; T35-R282 PolarHBondContact O-NH1 3.19Å; T35-R282 PolarHBondContact OG1-NH1 3.31Å; T35-I289 HydrophobicContact CG2-CD1 3.67Å
36F89.2Confident86.6Confident1 Ų125 Ų250%0.00415%0.15CC..Hα-helixtrans-61.5-45.2-176.3-165.8-87.1000114I32 T38 E39 Y40 L76 Y77 R78 L80 L83I32-F36 WeakPolarHBondContact O-CA 3.26Å; I32-F36 WeakPolarHBondContact O-CB 3.26Å; I32-F36 PolarHBondContact O-N 3.22Å; F36-T38 PolarHBondContact O-N 3.09Å; F36-T38 VanDerWaalsContact O-N 3.15Å; F36-E39 WeakPolarHBondContact O-CA 3.41Å; F36-E39 WeakPolarHBondContact O-CB 3.44Å; F36-E39 PolarHBondContact O-N 2.95Å; F36-Y40 PolarHBondContact O-N 3.06Å; F36-L76 WeakPolarHBondContact CD1-O 3.39Å; F36-L76 WeakPolarHBondContact CE1-O 3.44Å; F36-Y77 HydrophobicContact CB-CD1 4.4Å; F36-Y77 HydrophobicContact CB-CE1 4.43Å; F36-Y77 HydrophobicContact CD1-CD1 4.25Å; F36-Y77 VanDerWaalsContact CE1-C 3.49Å; F36-R78 WeakPolarHBondContact CE1-O 3.25Å; F36-R78 WeakPolarHBondContact CZ-O 3.47Å; F36-L80 HydrophobicContact CB-CD1 3.92Å; F36-L80 HydrophobicContact CD1-CB 4.36Å; F36-L80 HydrophobicContact CD2-CB 4.02Å; F36-L80 HydrophobicContact CD2-CD1 3.52Å; F36-L80 HydrophobicContact CD2-CG 4.41Å; F36-L80 HydrophobicContact CE1-CB 4.3Å; F36-L80 HydrophobicContact CE2-CB 3.92Å; F36-L80 HydrophobicContact CE2-CD1 4.2Å; F36-L80 VanDerWaalsContact CE2-N 3.32Å; F36-L80 HydrophobicContact CG-CB 4.25Å; F36-L80 HydrophobicContact CG-CD1 3.76Å; F36-L80 HydrophobicContact CZ-CB 4.11Å; F36-L83 HydrophobicContact CD2-CD1 3.71Å; F36-L83 HydrophobicContact CE2-CD1 3.45Å; F36-L83 VanDerWaalsContact CE2-CD1 3.45Å; F36-L83 HydrophobicContact CE2-CG 4.48Å
37P89.6Confident86.5Confident26 Ų2623 Ų2317%0.16914%0.136CC..Hα-helixtrans-55.5-35.5178.3-27.337000112.8I34 Y40 V41 L76 Y77I34-P37 WeakPolarHBondContact O-CD 3.18Å; P37-Y40 WeakPolarHBondContact O-CB 3.46Å; P37-Y40 PolarHBondContact O-N 3.17Å; P37-V41 WeakPolarHBondContact O-CG2 3.25Å; P37-V41 PolarHBondContact O-N 3.3Å; P37-L76 HydrophobicContact CB-CB 4.38Å; P37-Y77 HydrophobicContact CG-CE1 4.33Å; P37-Y77 HydrophobicContact CG-CE2 4.15Å
38T88.2Confident86.3Confident30 Ų3023 Ų2318%0.18414%0.136CC..Hα-helixtrans-69.3-38.2176.1-48.60000112T35 F36 K42 P278 R282T35-T38 PolarHBondContact O-N 3.16Å; F36-T38 PolarHBondContact O-N 3.09Å; F36-T38 VanDerWaalsContact O-N 3.15Å; T38-K42 VanDerWaalsContact O-CB 3.26Å; T38-K42 WeakPolarHBondContact O-CB 3.41Å; T38-K42 PolarHBondContact O-N 3.21Å; T38-P278 VanDerWaalsContact CG2-O 3.24Å; T38-P278 WeakPolarHBondContact CG2-O 3.32Å; T38-R282 HydrophobicContact CG2-CB 3.72Å
39E86.9Confident85.4Confident16 Ų1623 Ų238%0.07513%0.129CC..Hα-helixtrans-66.9-37.5172.7-76-76.6104.100112.2T35 F36 K42 T43 K140 R279 R282T35-E39 PolarHBondContact O-N 3.21Å; F36-E39 WeakPolarHBondContact O-CA 3.41Å; F36-E39 WeakPolarHBondContact O-CB 3.44Å; F36-E39 PolarHBondContact O-N 2.95Å; E39-K42 PolarHBondContact O-N 3.41Å; E39-T43 VanDerWaalsContact O-CB 3.28Å; E39-T43 WeakPolarHBondContact O-CB 3.24Å; E39-T43 PolarHBondContact O-N 3.21Å; E39-T43 PolarHBondContact O-OG1 2.82Å; E39-K140 IonicContact OE2-NZ 4Å; E39-R279 IonicContact OE1-NH1 3.8Å; E39-R279 PolarHBondContact OE1-NH1 2.89Å; E39-R279 VanDerWaalsContact OE1-NH1 3.16Å; E39-R282 WeakPolarHBondContact OE1-CD 3.48Å; E39-R282 IonicContact OE1-CZ 2.62Å; E39-R282 IonicContact OE1-NE 2.8Å; E39-R282 PolarHBondContact OE1-NE 3.46Å
40Y88.9Confident83.8Confident1 Ų127.3 Ų27.30%0.00414%0.137CC..Hα-helixtrans-58.3-55.4174.4176.7-86.8000110.3F36 P37 K42 T43 Q44 T67 L76 R78 I144 Q147F36-Y40 PolarHBondContact O-N 3.06Å; P37-Y40 WeakPolarHBondContact O-CB 3.46Å; P37-Y40 PolarHBondContact O-N 3.17Å; Y40-K42 VanDerWaalsContact C-N 3.33Å; Y40-K42 PolarHBondContact O-N 3.37Å; Y40-T43 PolarHBondContact O-N 3.3Å; Y40-T43 VanDerWaalsContact O-N 3.13Å; Y40-Q44 HydrophobicContact CD1-CG 4.11Å; Y40-Q44 HydrophobicContact CE1-CG 3.64Å; Y40-Q44 HydrophobicContact CE2-CG 4.28Å; Y40-Q44 VanDerWaalsContact CZ-NE2 3.34Å; Y40-Q44 WeakPolarHBondContact O-CG 3.27Å; Y40-Q44 PolarHBondContact O-N 2.82Å; Y40-Q44 PolarHBondContact OH-NE2 3.27Å; Y40-T67 HydrophobicContact CE1-CG2 3.73Å; Y40-T67 WeakPolarHBondContact CE1-OG1 3.2Å; Y40-T67 WeakPolarHBondContact OH-CG2 3.38Å; Y40-T67 PolarHBondContact OH-OG1 2.92Å; Y40-L76 WeakPolarHBondContact CB-O 3.26Å; Y40-L76 HydrophobicContact CD1-CD2 3.8Å; Y40-L76 HydrophobicContact CE1-CD2 4.02Å; Y40-R78 HydrophobicContact CE2-CB 4.32Å; Y40-I144 HydrophobicContact CD2-CG1 4.06Å; Y40-I144 HydrophobicContact CD2-CG2 3.88Å; Y40-I144 HydrophobicContact CE2-CG1 4.5Å; Y40-I144 HydrophobicContact CE2-CG2 3.87Å; Y40-Q147 VanDerWaalsContact CZ-OE1 3.23Å; Y40-Q147 PolarHBondContact OH-OE1 2.6Å
41V88.3Confident81.6Confident10 Ų1027.4 Ų27.46%0.06114%0.137CC..Hα-helixtrans-61.1-42.9-179.7174.10000111.3P37 T43 Q44 L45 P60 C63 V64P37-V41 WeakPolarHBondContact O-CG2 3.25Å; P37-V41 PolarHBondContact O-N 3.3Å; V41-T43 PolarHBondContact O-N 3.21Å; V41-Q44 PolarHBondContact O-N 3.35Å; V41-L45 HydrophobicContact CG1-CD1 3.9Å; V41-L45 HydrophobicContact CG1-CG 4.4Å; V41-L45 WeakPolarHBondContact O-CB 3.4Å; V41-L45 VanDerWaalsContact O-CG 3.28Å; V41-L45 WeakPolarHBondContact O-CG 3.28Å; V41-L45 PolarHBondContact O-N 2.7Å; V41-P60 HydrophobicContact CG1-CB 3.65Å; V41-C63 HydrophobicContact CG1-CB 4.29Å; V41-V64 HydrophobicContact CG2-CG2 3.46Å; V41-V64 VanDerWaalsContact CG2-CG2 3.46Å
42K87.7Confident79.9Confident7 Ų729.8 Ų29.83%0.0317%0.172CC..Hα-helixtrans-56.3-51.3174.3178.8-166.8170.5-170.50110.8T38 E39 Y40 L45 Q46 D239 P278 R279T38-K42 VanDerWaalsContact O-CB 3.26Å; T38-K42 WeakPolarHBondContact O-CB 3.41Å; T38-K42 PolarHBondContact O-N 3.21Å; E39-K42 PolarHBondContact O-N 3.41Å; Y40-K42 VanDerWaalsContact C-N 3.33Å; Y40-K42 PolarHBondContact O-N 3.37Å; K42-L45 PolarHBondContact O-N 2.82Å; K42-Q46 VanDerWaalsContact CE-NE2 3.26Å; K42-Q46 HydrophobicContact CG-CG 4.43Å; K42-Q46 WeakPolarHBondContact O-CB 3.25Å; K42-Q46 VanDerWaalsContact O-CG 3.25Å; K42-Q46 WeakPolarHBondContact O-CG 3.39Å; K42-Q46 PolarHBondContact O-N 2.8Å; K42-D239 IonicContact NZ-OD2 2.53Å; K42-D239 PolarHBondContact NZ-OD2 2.94Å; K42-P278 HydrophobicContact CB-CB 3.99Å; K42-R279 HydrophobicContact CD-CB 4.17Å
43T86.2Confident78.2Confident4 Ų432 Ų323%0.02519%0.19CC..Hα-helixtrans-64.1-43.3-175.6-55.60000110.4E39 Y40 V41 L45 Q46 L47 V141 I144 T243E39-T43 VanDerWaalsContact O-CB 3.28Å; E39-T43 WeakPolarHBondContact O-CB 3.24Å; E39-T43 PolarHBondContact O-N 3.21Å; E39-T43 PolarHBondContact O-OG1 2.82Å; Y40-T43 PolarHBondContact O-N 3.3Å; Y40-T43 VanDerWaalsContact O-N 3.13Å; V41-T43 PolarHBondContact O-N 3.21Å; T43-L45 PolarHBondContact O-N 2.86Å; T43-Q46 CarbonylContact O-C 3.58Å; T43-Q46 PolarHBondContact O-N 2.53Å; T43-L47 HydrophobicContact CG2-CD1 3.83Å; T43-L47 HydrophobicContact CG2-CG 4.38Å; T43-L47 WeakPolarHBondContact O-CB 3.35Å; T43-L47 VanDerWaalsContact O-CG 3.25Å; T43-L47 WeakPolarHBondContact O-CG 3.35Å; T43-L47 PolarHBondContact O-N 3.26Å; T43-V141 HydrophobicContact CG2-CB 4.41Å; T43-V141 HydrophobicContact CG2-CG1 4.17Å; T43-V141 HydrophobicContact CG2-CG2 4.02Å; T43-I144 HydrophobicContact CG2-CB 4.2Å; T43-I144 HydrophobicContact CG2-CD1 3.94Å; T43-I144 HydrophobicContact CG2-CG2 3.94Å; T43-T243 HydrophobicContact CG2-CG2 4.08Å
44Q87.4Confident76.7Confident2 Ų234.3 Ų34.31%0.00921%0.212CC..Hα-helixtrans-61.7-45.2175.8-66.7-63.832.200112.5Y40 V41 Q46 L47 D48 Y57 I144Y40-Q44 HydrophobicContact CD1-CG 4.11Å; Y40-Q44 HydrophobicContact CE1-CG 3.64Å; Y40-Q44 HydrophobicContact CE2-CG 4.28Å; Y40-Q44 VanDerWaalsContact CZ-NE2 3.34Å; Y40-Q44 WeakPolarHBondContact O-CG 3.27Å; Y40-Q44 PolarHBondContact O-N 2.82Å; Y40-Q44 PolarHBondContact OH-NE2 3.27Å; V41-Q44 PolarHBondContact O-N 3.35Å; Q44-Q46 VanDerWaalsContact C-N 3.27Å; Q44-Q46 PolarHBondContact O-N 2.9Å; Q44-L47 CarbonylContact O-C 3.51Å; Q44-L47 PolarHBondContact O-N 3.24Å; Q44-L47 VanDerWaalsContact O-N 3.09Å; Q44-D48 PolarHBondContact O-N 3.49Å; Q44-Y57 HydrophobicContact CB-CE2 4.13Å; Q44-I144 VanDerWaalsContact CD-CG2 3.42Å; Q44-I144 HydrophobicContact CG-CG2 3.77Å; Q44-I144 PolarHBondContact NE2-O 2.93Å
45L85.5Confident75.7Confident21 Ų2137 Ų3711%0.1122%0.216CC..Hα-helixtrans-67.3-28.4177.6-68.5174000113.2V41 K42 T43 L47 P60 P278V41-L45 HydrophobicContact CG1-CD1 3.9Å; V41-L45 HydrophobicContact CG1-CG 4.4Å; V41-L45 WeakPolarHBondContact O-CB 3.4Å; V41-L45 VanDerWaalsContact O-CG 3.28Å; V41-L45 WeakPolarHBondContact O-CG 3.28Å; V41-L45 PolarHBondContact O-N 2.7Å; K42-L45 PolarHBondContact O-N 2.82Å; T43-L45 PolarHBondContact O-N 2.86Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-P60 HydrophobicContact CD1-CB 3.98Å; L45-P278 HydrophobicContact CD1-CG 3.73Å
46Q82.1Confident75Confident1 Ų140.8 Ų40.81%0.00523%0.234CC..Hα-helixtrans-78.5-20173.1-73.6-175-27.200113.1K42 T43 Q44 V240 T243 R244K42-Q46 VanDerWaalsContact CE-NE2 3.26Å; K42-Q46 HydrophobicContact CG-CG 4.43Å; K42-Q46 WeakPolarHBondContact O-CB 3.25Å; K42-Q46 VanDerWaalsContact O-CG 3.25Å; K42-Q46 WeakPolarHBondContact O-CG 3.39Å; K42-Q46 PolarHBondContact O-N 2.8Å; T43-Q46 CarbonylContact O-C 3.58Å; T43-Q46 PolarHBondContact O-N 2.53Å; Q44-Q46 VanDerWaalsContact C-N 3.27Å; Q44-Q46 PolarHBondContact O-N 2.9Å; Q46-V240 HydrophobicContact CG-CG2 4.34Å; Q46-T243 HydrophobicContact CB-CG2 3.6Å; Q46-T243 PolarHBondContact OE1-OG1 3.45Å; Q46-R244 PolarHBondContact O-NE 2.84Å; Q46-R244 PolarHBondContact O-NH1 2.88Å
47L82.5Confident74.5Confident19 Ų1941.8 Ų41.810%0.09924%0.238CC..Hα-helixtrans-93.8-18.1173.5-71.1168.8000113T43 Q44 L45 E49 V141 N145 T243 R244T43-L47 HydrophobicContact CG2-CD1 3.83Å; T43-L47 HydrophobicContact CG2-CG 4.38Å; T43-L47 WeakPolarHBondContact O-CB 3.35Å; T43-L47 VanDerWaalsContact O-CG 3.25Å; T43-L47 WeakPolarHBondContact O-CG 3.35Å; T43-L47 PolarHBondContact O-N 3.26Å; Q44-L47 CarbonylContact O-C 3.51Å; Q44-L47 PolarHBondContact O-N 3.24Å; Q44-L47 VanDerWaalsContact O-N 3.09Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L47-E49 PolarHBondContact O-N 3.38Å; L47-V141 HydrophobicContact CD1-CG1 3.98Å; L47-V141 HydrophobicContact CD2-CG1 3.9Å; L47-V141 HydrophobicContact CG-CG1 4.32Å; L47-N145 HydrophobicContact CD1-CB 3.59Å; L47-T243 HydrophobicContact CD2-CG2 3.82Å; L47-T243 HydrophobicContact CG-CG2 3.73Å; L47-R244 PolarHBondContact O-NH1 3.41Å
48D77.4Confident74Confident17 Ų1745.9 Ų45.99%0.09127%0.267CS..  trans-68.292174.8-164.313.3000110.2Q44 Q56 Y57 R244 K274Q44-D48 PolarHBondContact O-N 3.49Å; D48-Q56 PolarHBondContact OD1-N 3.34Å; D48-Q56 PolarHBondContact OD2-N 2.93Å; D48-Y57 HydrophobicContact CB-CD2 4.35Å; D48-Y57 PolarHBondContact OD2-N 2.9Å; D48-R244 PolarHBondContact O-NH1 2.86Å; D48-R244 PolarHBondContact O-NH2 3.5Å; D48-K274 PolarHBondContact O-NZ 3.32Å
49E65.1Low73.7Confident26 Ų2645.3 Ų45.312%0.12127%0.267CS..  trans-78.4143177-68.1-177.1155.400109.9L47 M51 R244 K252 Y253L47-E49 PolarHBondContact O-N 3.38Å; E49-M51 HydrophobicContact CB-CB 3.95Å; E49-M51 HydrophobicContact CB-CG 4.28Å; E49-M51 PolarHBondContact O-N 3.47Å; E49-R244 VanDerWaalsContact N-NH1 3.18Å; E49-R244 WeakPolarHBondContact OE1-CD 3.49Å; E49-R244 IonicContact OE1-NE 2.7Å; E49-K252 WeakPolarHBondContact OE1-CE 3.36Å; E49-K252 IonicContact OE1-NZ 3.21Å; E49-K252 PolarHBondContact OE1-NZ 2.92Å; E49-K252 IonicContact OE2-NZ 3.99Å; E49-K252 PolarHBondContact OE2-NZ 2.99Å; E49-Y253 PolarHBondContact OE1-OH 3.15Å
50R53.3Low73.5Confident127 Ų12747.1 Ų47.148%0.47928%0.28SS..  trans-71.2-1.7162.6-78.6-179169.4171.7-5.3112.3G52 E267R50-G52 PolarHBondContact O-N 2.9Å; R50-E267 HydrophobicContact CB-CG 4.27Å; R50-E267 PolarHBondContact NH1-O 3.46Å
51M41.6Very low73.4Confident70 Ų7052.9 Ų52.935%0.34531%0.31SS..SBendtrans-71.598.6-175.3-71.9-158.17100111E49 S53 K252 K262E49-M51 HydrophobicContact CB-CB 3.95Å; E49-M51 HydrophobicContact CB-CG 4.28Å; E49-M51 PolarHBondContact O-N 3.47Å; M51-S53 PolarHBondContact O-N 3.35Å; M51-K252 HydrophobicContact SD-CD 4.3Å; M51-K252 PolarHBondContact SD-NZ 3.09Å; M51-K262 VanDerWaalsContact CE-NZ 3.32Å; M51-K262 HydrophobicContact SD-CD 4.45Å
52G48.3Very low73.4Confident87 Ų8754.4 Ų54.490%0.89732%0.318SS*.SBendtrans77.3-32.5159.800000117.2R50R50-G52 PolarHBondContact O-N 2.9Å
53S51.4Low73.3Confident75 Ų7554.1 Ų54.152%0.52432%0.316SS..SBendtrans-97.5133.8167.2-73.50000109.4M51 R55M51-S53 PolarHBondContact O-N 3.35Å; S53-R55 PolarHBondContact O-N 2.94Å
54A58.9Low73.4Confident92 Ų9256.5 Ų56.576%0.7633%0.331SS*.  trans-46.8139.1169.700000109.5Q56A54-Q56 PolarHBondContact O-N 3.23Å
55R64.4Low73.6Confident145 Ų14563.3 Ų63.355%0.54736%0.36SS..  trans-36.1117.3177.5-88-179.6167.3161.6-6.5109.9S53 Y57S53-R55 PolarHBondContact O-N 2.94Å; R55-Y57 PolarHBondContact O-N 3.5Å
56Q71.7Confident73.7Confident80 Ų8066.5 Ų66.537%0.37437%0.374SS..SBendtrans-70.1-29.1179.4-70.4-165.8-2.800110.7D48 A54 K66D48-Q56 PolarHBondContact OD1-N 3.34Å; D48-Q56 PolarHBondContact OD2-N 2.93Å; A54-Q56 PolarHBondContact O-N 3.23Å; Q56-K66 PolarHBondContact O-NZ 2.77Å
57Y78.4Confident74Confident21 Ų2166.6 Ų66.68%0.08237%0.374CS..  trans-127.2129.6-177.2-57.1-63.7000112.4Q44 D48 R55 G59 D62 C63 K66 T148Q44-Y57 HydrophobicContact CB-CE2 4.13Å; D48-Y57 HydrophobicContact CB-CD2 4.35Å; D48-Y57 PolarHBondContact OD2-N 2.9Å; R55-Y57 PolarHBondContact O-N 3.5Å; Y57-G59 VanDerWaalsContact C-N 3.26Å; Y57-D62 WeakPolarHBondContact CA-OD2 3.32Å; Y57-C63 HydrophobicContact CD1-CB 3.72Å; Y57-C63 HydrophobicContact CD2-CB 4.41Å; Y57-C63 HydrophobicContact CE1-CB 4.05Å; Y57-C63 HydrophobicContact CG-CB 3.89Å; Y57-K66 HydrophobicContact CD1-CD 3.82Å; Y57-K66 HydrophobicContact CE1-CB 3.93Å; Y57-K66 HydrophobicContact CE1-CD 3.81Å; Y57-T148 HydrophobicContact CE2-CG2 4.02Å; Y57-T148 WeakPolarHBondContact OH-CG2 3.48Å
58S79.1Confident74.4Confident112 Ų11268.5 Ų68.578%0.78339%0.387SS*.SBendtrans-75-18.8171.7176.80000112.5D62S58-D62 PolarHBondContact N-OD2 3.41Å
59G81.7Confident74.9Confident18 Ų1871 Ų7119%0.18642%0.416CS..SBendtrans171.5-176.6-17700000112.4Y57 I61 D62 C63Y57-G59 VanDerWaalsContact C-N 3.26Å; G59-I61 VanDerWaalsContact C-N 3.35Å; G59-I61 PolarHBondContact O-N 3.21Å; G59-D62 PolarHBondContact O-N 3.24Å; G59-C63 PolarHBondContact O-N 2.91Å
60P83.9Confident76Confident55 Ų5574.3 Ų74.336%0.35744%0.442SS..Hα-helixtrans-62.7-39.1-176.323.2-32.6000113.2V41 L45 C63 V64 P278V41-P60 HydrophobicContact CG1-CB 3.65Å; L45-P60 HydrophobicContact CD1-CB 3.98Å; P60-C63 WeakPolarHBondContact O-CB 3.34Å; P60-C63 PolarHBondContact O-N 3.32Å; P60-V64 WeakPolarHBondContact O-CG2 3.32Å; P60-V64 PolarHBondContact O-N 2.69Å; P60-P278 HydrophobicContact CB-CG 4.28Å
61I87.1Confident77.5Confident122 Ų12272.9 Ų72.963%0.62644%0.437SS*.Hα-helixtrans-68.1-40.1179.9-61.9170.9000110.8G59 C63 V64 K65G59-I61 VanDerWaalsContact C-N 3.35Å; G59-I61 PolarHBondContact O-N 3.21Å; I61-C63 VanDerWaalsContact C-N 3.34Å; I61-V64 PolarHBondContact O-N 2.86Å; I61-K65 HydrophobicContact CG2-CD 4.18Å; I61-K65 HydrophobicContact CG2-CG 4.43Å; I61-K65 WeakPolarHBondContact O-CB 3.48Å; I61-K65 WeakPolarHBondContact O-CG 3.2Å; I61-K65 PolarHBondContact O-N 3.32Å
62D86.9Confident79.8Confident42 Ų4271 Ų7123%0.22544%0.436CS..Hα-helixtrans-64.9-39.4176.5-176.249.5000111.3Y57 S58 G59 K65 K66Y57-D62 WeakPolarHBondContact CA-OD2 3.32Å; S58-D62 PolarHBondContact N-OD2 3.41Å; G59-D62 PolarHBondContact O-N 3.24Å; D62-K65 PolarHBondContact O-N 3.13Å; D62-K66 WeakPolarHBondContact O-CB 3.09Å; D62-K66 WeakPolarHBondContact O-CG 3.48Å; D62-K66 PolarHBondContact O-N 3.41Å; D62-K66 VanDerWaalsContact OD1-CE 3.29Å; D62-K66 WeakPolarHBondContact OD1-CE 3.17Å; D62-K66 IonicContact OD1-NZ 3.16Å; D62-K66 PolarHBondContact OD1-NZ 3.18Å; D62-K66 WeakPolarHBondContact OD2-CE 3.29Å; D62-K66 IonicContact OD2-NZ 3.47Å; D62-K66 PolarHBondContact OD2-NZ 3.26Å
63C86.3Confident81.6Confident0 Ų073.1 Ų73.10%042%0.421CS..Hα-helixtrans-57.7-49.4172.1-1780000112V41 Y57 G59 P60 I61 K65 K66 T67V41-C63 HydrophobicContact CG1-CB 4.29Å; Y57-C63 HydrophobicContact CD1-CB 3.72Å; Y57-C63 HydrophobicContact CD2-CB 4.41Å; Y57-C63 HydrophobicContact CE1-CB 4.05Å; Y57-C63 HydrophobicContact CG-CB 3.89Å; G59-C63 PolarHBondContact O-N 2.91Å; P60-C63 WeakPolarHBondContact O-CB 3.34Å; P60-C63 PolarHBondContact O-N 3.32Å; I61-C63 VanDerWaalsContact C-N 3.34Å; C63-K65 PolarHBondContact O-N 2.85Å; C63-K66 PolarHBondContact O-N 3.27Å; C63-T67 WeakPolarHBondContact O-CB 3.38Å; C63-T67 PolarHBondContact O-N 3.15Å; C63-T67 PolarHBondContact O-OG1 2.87Å; C63-T67 VanDerWaalsContact O-OG1 3.08Å
64V88.8Confident83.3Confident54 Ų5480.2 Ų80.233%0.32744%0.436SS..Hα-helixtrans-60.8-48.4176.9175.70000111.3V41 P60 I61 K66 T67 V68 L76V41-V64 HydrophobicContact CG2-CG2 3.46Å; V41-V64 VanDerWaalsContact CG2-CG2 3.46Å; P60-V64 WeakPolarHBondContact O-CG2 3.32Å; P60-V64 PolarHBondContact O-N 2.69Å; I61-V64 PolarHBondContact O-N 2.86Å; V64-K66 PolarHBondContact O-N 3.49Å; V64-T67 PolarHBondContact O-N 2.96Å; V64-V68 HydrophobicContact CG1-CG2 4.19Å; V64-V68 WeakPolarHBondContact O-CB 3.38Å; V64-V68 VanDerWaalsContact O-CG2 3.28Å; V64-V68 WeakPolarHBondContact O-CG2 3.37Å; V64-V68 PolarHBondContact O-N 2.8Å; V64-L76 HydrophobicContact CG1-CD1 4.44Å
65K90.4Very high84.6Confident145 Ų14576 Ų7663%0.6340%0.401SS*.Hα-helixtrans-59.1-47.6-178.9-75.7-180178.2-175.10111.9I61 D62 C63 G69I61-K65 HydrophobicContact CG2-CD 4.18Å; I61-K65 HydrophobicContact CG2-CG 4.43Å; I61-K65 WeakPolarHBondContact O-CB 3.48Å; I61-K65 WeakPolarHBondContact O-CG 3.2Å; I61-K65 PolarHBondContact O-N 3.32Å; D62-K65 PolarHBondContact O-N 3.13Å; C63-K65 PolarHBondContact O-N 2.85Å; K65-G69 PolarHBondContact O-N 3.4Å
66K88.2Confident85.7Confident89 Ų8969.4 Ų69.439%0.38738%0.376SS..Hα-helixtrans-65.5-44.2178.7-77172.3174163.10112.1Q56 Y57 D62 C63 V64 G69 S70Q56-K66 PolarHBondContact O-NZ 2.77Å; Y57-K66 HydrophobicContact CD1-CD 3.82Å; Y57-K66 HydrophobicContact CE1-CB 3.93Å; Y57-K66 HydrophobicContact CE1-CD 3.81Å; D62-K66 WeakPolarHBondContact O-CB 3.09Å; D62-K66 WeakPolarHBondContact O-CG 3.48Å; D62-K66 PolarHBondContact O-N 3.41Å; D62-K66 VanDerWaalsContact OD1-CE 3.29Å; D62-K66 WeakPolarHBondContact OD1-CE 3.17Å; D62-K66 IonicContact OD1-NZ 3.16Å; D62-K66 PolarHBondContact OD1-NZ 3.18Å; D62-K66 WeakPolarHBondContact OD2-CE 3.29Å; D62-K66 IonicContact OD2-NZ 3.47Å; D62-K66 PolarHBondContact OD2-NZ 3.26Å; C63-K66 PolarHBondContact O-N 3.27Å; V64-K66 PolarHBondContact O-N 3.49Å; K66-G69 PolarHBondContact O-N 3.34Å; K66-S70 PolarHBondContact O-N 2.91Å; K66-S70 PolarHBondContact O-OG 3.47Å
67T88.2Confident86.6Confident3 Ų368.7 Ų68.72%0.01837%0.371CS..Hα-helixtrans-64.3-44.3178.2-63.90000111.8Y40 C63 V64 S70 Y71 L76Y40-T67 HydrophobicContact CE1-CG2 3.73Å; Y40-T67 WeakPolarHBondContact CE1-OG1 3.2Å; Y40-T67 WeakPolarHBondContact OH-CG2 3.38Å; Y40-T67 PolarHBondContact OH-OG1 2.92Å; C63-T67 WeakPolarHBondContact O-CB 3.38Å; C63-T67 PolarHBondContact O-N 3.15Å; C63-T67 PolarHBondContact O-OG1 2.87Å; C63-T67 VanDerWaalsContact O-OG1 3.08Å; V64-T67 PolarHBondContact O-N 2.96Å; T67-S70 PolarHBondContact O-N 3Å; T67-Y71 PolarHBondContact O-N 2.87Å; T67-L76 HydrophobicContact CG2-CD2 3.86Å; T67-L76 HydrophobicContact CG2-CG 4.29Å
68V91.1Very high87Confident59 Ų5970.1 Ų70.136%0.35838%0.376SS..Hα-helixtrans-68.2-36.6178.2174.70000111.2V64 G72 L76V64-V68 HydrophobicContact CG1-CG2 4.19Å; V64-V68 WeakPolarHBondContact O-CB 3.38Å; V64-V68 VanDerWaalsContact O-CG2 3.28Å; V64-V68 WeakPolarHBondContact O-CG2 3.37Å; V64-V68 PolarHBondContact O-N 2.8Å; V68-G72 WeakPolarHBondContact O-CA 3.32Å; V68-G72 PolarHBondContact O-N 3.46Å; V68-L76 HydrophobicContact CG2-CD1 3.87Å; V68-L76 HydrophobicContact CG2-CG 4.24Å
69G88.8Confident87.4Confident68 Ų6865 Ų6570%0.70134%0.34SS*.Hα-helixtrans-63.5-42.5174.700000113.3K65 K66K65-G69 PolarHBondContact O-N 3.4Å; K66-G69 PolarHBondContact O-N 3.34Å
70S87.5Confident87.8Confident96 Ų9665.3 Ų65.367%0.67134%0.338SS*.Hα-helixtrans-86.6-36.7-175.9-59.90000114.5K66 T67K66-S70 PolarHBondContact O-N 2.91Å; K66-S70 PolarHBondContact O-OG 3.47Å; T67-S70 PolarHBondContact O-N 3Å
71Y85.5Confident88Confident97 Ų9765.1 Ų65.138%0.3834%0.337SS..Hα-helixtrans-122.90.2-172-63.9-73.7000113.7T67 Q147T67-Y71 PolarHBondContact O-N 2.87Å; Y71-Q147 HydrophobicContact CE2-CB 4.19Å; Y71-Q147 HydrophobicContact CE2-CG 4.46Å; Y71-Q147 VanDerWaalsContact CE2-O 3.32Å; Y71-Q147 WeakPolarHBondContact CE2-O 3.35Å; Y71-Q147 PolarHBondContact OH-O 3.45Å
72G88.2Confident88.1Confident31 Ų3159.6 Ų59.632%0.3231%0.308SS..  trans67.9-174.9-171.100000113V68 R74 G75V68-G72 WeakPolarHBondContact O-CA 3.32Å; V68-G72 PolarHBondContact O-N 3.46Å; G72-R74 PolarHBondContact O-N 3.23Å; G72-G75 PolarHBondContact O-N 3.32Å
73F87.8Confident88.2Confident131 Ų13158.9 Ų58.958%0.57531%0.305SS*.G310 helixtrans-60.2-30.6179.9-171-106.5000113.2G75 L76 Y77F73-G75 PolarHBondContact O-N 2.9Å; F73-L76 HydrophobicContact CD2-CD1 4.08Å; F73-L76 HydrophobicContact CE2-CD1 4.19Å; F73-L76 PolarHBondContact O-N 3.34Å; F73-Y77 HydrophobicContact CD1-CD2 4.43Å; F73-Y77 AromaticContact CD1-CE2 3.96Å; F73-Y77 HydrophobicContact CD1-CE2 3.96Å; F73-Y77 HydrophobicContact CE1-CD2 4.25Å; F73-Y77 AromaticContact CE1-CE2 3.37Å; F73-Y77 HydrophobicContact CE1-CE2 3.37Å; F73-Y77 AromaticContact CZ-CE2 3.7Å; F73-Y77 HydrophobicContact CZ-CE2 3.7Å
74R87.1Confident88.3Confident225 Ų22561.2 Ų61.285%0.84932%0.317SS*.G310 helixtrans-62.9-24.4175.7-69.2-177.6176.5175.7-0.5112.8G72 L76 Y77G72-R74 PolarHBondContact O-N 3.23Å; R74-L76 VanDerWaalsContact C-N 3.27Å; R74-L76 PolarHBondContact O-N 3.14Å; R74-Y77 PolarHBondContact O-N 3.02Å; R74-Y77 VanDerWaalsContact O-N 3.16Å
75G85.9Confident88.3Confident2 Ų265.3 Ų65.32%0.02133%0.327CS..G310 helixtrans-57.1-40.7175.600000112.7G72 F73 Y77 R78 Q147G72-G75 PolarHBondContact O-N 3.32Å; F73-G75 PolarHBondContact O-N 2.9Å; G75-Y77 PolarHBondContact O-N 3.48Å; G75-R78 VanDerWaalsContact O-CB 3.3Å; G75-R78 WeakPolarHBondContact O-CB 3.45Å; G75-R78 PolarHBondContact O-N 3.08Å; G75-Q147 PolarHBondContact O-NE2 2.98Å; G75-Q147 PolarHBondContact O-OE1 3.47Å; G75-Q147 VanDerWaalsContact O-OE1 3.09Å
76L87.8Confident88.1Confident7 Ų758.9 Ų58.94%0.03730%0.303CS..G310 helixtrans-65.8-18.4-179.4-62.4172.9000113.6F36 P37 Y40 V64 T67 V68 F73 R74F36-L76 WeakPolarHBondContact CD1-O 3.39Å; F36-L76 WeakPolarHBondContact CE1-O 3.44Å; P37-L76 HydrophobicContact CB-CB 4.38Å; Y40-L76 WeakPolarHBondContact CB-O 3.26Å; Y40-L76 HydrophobicContact CD1-CD2 3.8Å; Y40-L76 HydrophobicContact CE1-CD2 4.02Å; V64-L76 HydrophobicContact CG1-CD1 4.44Å; T67-L76 HydrophobicContact CG2-CD2 3.86Å; T67-L76 HydrophobicContact CG2-CG 4.29Å; V68-L76 HydrophobicContact CG2-CD1 3.87Å; V68-L76 HydrophobicContact CG2-CG 4.24Å; F73-L76 HydrophobicContact CD2-CD1 4.08Å; F73-L76 HydrophobicContact CE2-CD1 4.19Å; F73-L76 PolarHBondContact O-N 3.34Å; R74-L76 VanDerWaalsContact C-N 3.27Å; R74-L76 PolarHBondContact O-N 3.14Å
77Y90.3Very high88.1Confident65 Ų6556.5 Ų56.526%0.25530%0.297SS..G310 helixtrans-97.711.7-178.5-73-85.9000113.5C33 F36 P37 F73 R74 G75 G79 L80C33-Y77 VanDerWaalsContact O-CE1 3.26Å; C33-Y77 WeakPolarHBondContact O-CE1 3.22Å; C33-Y77 PolarHBondContact O-OH 3Å; F36-Y77 HydrophobicContact CB-CD1 4.4Å; F36-Y77 HydrophobicContact CB-CE1 4.43Å; F36-Y77 HydrophobicContact CD1-CD1 4.25Å; F36-Y77 VanDerWaalsContact CE1-C 3.49Å; P37-Y77 HydrophobicContact CG-CE1 4.33Å; P37-Y77 HydrophobicContact CG-CE2 4.15Å; F73-Y77 HydrophobicContact CD1-CD2 4.43Å; F73-Y77 AromaticContact CD1-CE2 3.96Å; F73-Y77 HydrophobicContact CD1-CE2 3.96Å; F73-Y77 HydrophobicContact CE1-CD2 4.25Å; F73-Y77 AromaticContact CE1-CE2 3.37Å; F73-Y77 HydrophobicContact CE1-CE2 3.37Å; F73-Y77 AromaticContact CZ-CE2 3.7Å; F73-Y77 HydrophobicContact CZ-CE2 3.7Å; R74-Y77 PolarHBondContact O-N 3.02Å; R74-Y77 VanDerWaalsContact O-N 3.16Å; G75-Y77 PolarHBondContact O-N 3.48Å; Y77-G79 PolarHBondContact O-N 2.94Å; Y77-L80 HydrophobicContact CD1-CD2 3.94Å; Y77-L80 WeakPolarHBondContact O-CB 3.46Å; Y77-L80 PolarHBondContact O-N 3.43Å
78R86.8Confident88.1Confident52 Ų5261.3 Ų61.320%0.19633%0.326CS..THydrogen-bonded Turntrans-69.2120.8-179.7-170.272.6175.5177.3-1111.7F36 Y40 G75 F143 I144 Q147 Y154F36-R78 WeakPolarHBondContact CE1-O 3.25Å; F36-R78 WeakPolarHBondContact CZ-O 3.47Å; Y40-R78 HydrophobicContact CE2-CB 4.32Å; G75-R78 VanDerWaalsContact O-CB 3.3Å; G75-R78 WeakPolarHBondContact O-CB 3.45Å; G75-R78 PolarHBondContact O-N 3.08Å; R78-F143 WeakPolarHBondContact CG-O 3.27Å; R78-I144 VanDerWaalsContact O-CG1 3.29Å; R78-I144 WeakPolarHBondContact O-CG1 3.12Å; R78-Q147 VanDerWaalsContact CB-CD 3.47Å; R78-Q147 HydrophobicContact CB-CG 4.32Å; R78-Q147 HydrophobicContact CG-CG 3.87Å; R78-Y154 VanDerWaalsContact NH2-C 3.31Å; R78-Y154 PolarHBondContact NH2-O 3.24Å
79G87.2Confident88Confident3 Ų361.4 Ų61.43%0.03133%0.328CS..THydrogen-bonded Turntrans95.2-4.2-174.300000113.7Y77 P81 V82 L83Y77-G79 PolarHBondContact O-N 2.94Å; G79-P81 VanDerWaalsContact C-CD 3.46Å; G79-P81 VanDerWaalsContact C-N 3.34Å; G79-V82 VanDerWaalsContact O-CB 3.25Å; G79-V82 WeakPolarHBondContact O-CB 3.48Å; G79-V82 WeakPolarHBondContact O-CG2 3.47Å; G79-V82 PolarHBondContact O-N 3.18Å; G79-L83 PolarHBondContact O-N 3.43Å
80L89.5Confident88.1Confident26 Ų2661.7 Ų61.714%0.13631%0.31CS..Hα-helixtrans-52.2-45.7174.2178.476.8000112.5I32 F36 Y77 V82 L83 L84I32-L80 HydrophobicContact CG2-CD1 3.69Å; F36-L80 HydrophobicContact CB-CD1 3.92Å; F36-L80 HydrophobicContact CD1-CB 4.36Å; F36-L80 HydrophobicContact CD2-CB 4.02Å; F36-L80 HydrophobicContact CD2-CD1 3.52Å; F36-L80 HydrophobicContact CD2-CG 4.41Å; F36-L80 HydrophobicContact CE1-CB 4.3Å; F36-L80 HydrophobicContact CE2-CB 3.92Å; F36-L80 HydrophobicContact CE2-CD1 4.2Å; F36-L80 VanDerWaalsContact CE2-N 3.32Å; F36-L80 HydrophobicContact CG-CB 4.25Å; F36-L80 HydrophobicContact CG-CD1 3.76Å; F36-L80 HydrophobicContact CZ-CB 4.11Å; Y77-L80 HydrophobicContact CD1-CD2 3.94Å; Y77-L80 WeakPolarHBondContact O-CB 3.46Å; Y77-L80 PolarHBondContact O-N 3.43Å; L80-V82 PolarHBondContact O-N 3.01Å; L80-L83 PolarHBondContact O-N 2.89Å; L80-L83 VanDerWaalsContact O-N 3.08Å; L80-L84 HydrophobicContact CD1-CD1 4.33Å; L80-L84 HydrophobicContact CD1-CG 4.28Å; L80-L84 HydrophobicContact CD2-CD1 4.07Å; L80-L84 HydrophobicContact CG-CD1 3.87Å; L80-L84 HydrophobicContact CG-CG 4.2Å; L80-L84 PolarHBondContact O-N 2.85Å
81P88.9Confident88.1Confident51 Ų5159.6 Ų59.633%0.33130%0.296SS..Hα-helixtrans-59.4-31.9178.8-24.835.5000113G79 L83 L84 Y85 F157G79-P81 VanDerWaalsContact C-CD 3.46Å; G79-P81 VanDerWaalsContact C-N 3.34Å; P81-L83 VanDerWaalsContact C-N 3.34Å; P81-L83 PolarHBondContact O-N 3.29Å; P81-L84 PolarHBondContact O-N 3.33Å; P81-Y85 HydrophobicContact CB-CD2 4.03Å; P81-Y85 HydrophobicContact CB-CE2 3.88Å; P81-Y85 WeakPolarHBondContact O-CB 3.38Å; P81-Y85 WeakPolarHBondContact O-CD2 3.25Å; P81-Y85 PolarHBondContact O-N 2.73Å; P81-F157 HydrophobicContact CB-CB 4.35Å; P81-F157 HydrophobicContact CB-CD2 4.16Å; P81-F157 HydrophobicContact CB-CG 4.26Å
82V88.6Confident88.3Confident5 Ų558 Ų583%0.0330%0.302CS..Hα-helixtrans-63.3-43.4178.1-169.50000110.5G79 L80 G86 M136 I139 K140 F143 F157G79-V82 VanDerWaalsContact O-CB 3.25Å; G79-V82 WeakPolarHBondContact O-CB 3.48Å; G79-V82 WeakPolarHBondContact O-CG2 3.47Å; G79-V82 PolarHBondContact O-N 3.18Å; L80-V82 PolarHBondContact O-N 3.01Å; V82-G86 WeakPolarHBondContact O-CA 3.35Å; V82-G86 PolarHBondContact O-N 3.44Å; V82-M136 HydrophobicContact CG1-CG 4.05Å; V82-M136 VanDerWaalsContact CG1-O 3.31Å; V82-M136 WeakPolarHBondContact CG1-O 3.3Å; V82-I139 HydrophobicContact CG1-CB 4.01Å; V82-I139 HydrophobicContact CG1-CG2 3.76Å; V82-I139 HydrophobicContact CG2-CG2 3.87Å; V82-K140 HydrophobicContact CB-CB 4.32Å; V82-K140 HydrophobicContact CG1-CB 4.09Å; V82-F143 HydrophobicContact CG2-CD2 4.29Å; V82-F143 HydrophobicContact CG2-CG 4.44Å; V82-F157 HydrophobicContact CB-CE2 4.05Å; V82-F157 HydrophobicContact CG1-CE2 4.34Å; V82-F157 HydrophobicContact CG2-CD2 3.79Å; V82-F157 HydrophobicContact CG2-CE2 3.67Å
83L88.8Confident88.5Confident27 Ų2758.4 Ų58.414%0.14130%0.298CS..Hα-helixtrans-70.5-42.5178.5-95.1162.2000111.9I32 F36 G79 L80 P81 S87 M136 K140I32-L83 HydrophobicContact CG2-CB 4.2Å; F36-L83 HydrophobicContact CD2-CD1 3.71Å; F36-L83 HydrophobicContact CE2-CD1 3.45Å; F36-L83 VanDerWaalsContact CE2-CD1 3.45Å; F36-L83 HydrophobicContact CE2-CG 4.48Å; G79-L83 PolarHBondContact O-N 3.43Å; L80-L83 PolarHBondContact O-N 2.89Å; L80-L83 VanDerWaalsContact O-N 3.08Å; P81-L83 VanDerWaalsContact C-N 3.34Å; P81-L83 PolarHBondContact O-N 3.29Å; L83-S87 WeakPolarHBondContact O-CB 3.35Å; L83-S87 PolarHBondContact O-N 2.85Å; L83-M136 HydrophobicContact CD2-CE 4.31Å; L83-K140 HydrophobicContact CD1-CD 3.47Å; L83-K140 VanDerWaalsContact CD1-CD 3.47Å; L83-K140 HydrophobicContact CD1-CG 4.38Å; L83-K140 HydrophobicContact CG-CD 3.83Å
84L89.5Confident88.5Confident50 Ų5056.9 Ų56.926%0.26229%0.289SS..Hα-helixtrans-65.1-53.2178.6-68.6176.4000111.8A29 I32 L80 P81 G86 S87A29-L84 HydrophobicContact CB-CD2 4.1Å; I32-L84 HydrophobicContact CB-CD2 4.23Å; I32-L84 HydrophobicContact CD1-CD2 4.32Å; I32-L84 HydrophobicContact CG2-CD2 3.99Å; I32-L84 HydrophobicContact CG2-CG 4.49Å; L80-L84 HydrophobicContact CD1-CD1 4.33Å; L80-L84 HydrophobicContact CD1-CG 4.28Å; L80-L84 HydrophobicContact CD2-CD1 4.07Å; L80-L84 HydrophobicContact CG-CD1 3.87Å; L80-L84 HydrophobicContact CG-CG 4.2Å; L80-L84 PolarHBondContact O-N 2.85Å; P81-L84 PolarHBondContact O-N 3.33Å; L84-G86 VanDerWaalsContact C-N 3.35Å; L84-G86 PolarHBondContact O-N 3.33Å; L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 2.85Å; L84-S87 PolarHBondContact O-OG 3.28Å
85Y88.3Confident88.6Confident139 Ų13952.6 Ų52.655%0.54528%0.276SS..Hα-helixtrans-66.5-37.3179-65.7-49.5000112.3P81 S87 P89 F157P81-Y85 HydrophobicContact CB-CD2 4.03Å; P81-Y85 HydrophobicContact CB-CE2 3.88Å; P81-Y85 WeakPolarHBondContact O-CB 3.38Å; P81-Y85 WeakPolarHBondContact O-CD2 3.25Å; P81-Y85 PolarHBondContact O-N 2.73Å; Y85-S87 VanDerWaalsContact C-N 3.29Å; Y85-S87 PolarHBondContact O-N 2.99Å; Y85-P89 WeakPolarHBondContact O-CD 3.44Å; Y85-F157 AromaticContact CD2-CD1 3.97Å; Y85-F157 HydrophobicContact CD2-CD1 3.97Å; Y85-F157 AromaticContact CD2-CE1 3.62Å; Y85-F157 HydrophobicContact CD2-CE1 3.62Å; Y85-F157 HydrophobicContact CD2-CE2 4.4Å; Y85-F157 HydrophobicContact CD2-CG 4.49Å; Y85-F157 AromaticContact CD2-CZ 3.86Å; Y85-F157 HydrophobicContact CD2-CZ 3.86Å; Y85-F157 HydrophobicContact CE2-CD1 4.04Å; Y85-F157 HydrophobicContact CE2-CE1 4.13Å
86G86.3Confident88.8Confident11 Ų1154.6 Ų54.611%0.11330%0.297CS..Hα-helixtrans-73.2-18.3179.600000114.3V82 L84 V88 P89 K90 M136V82-G86 WeakPolarHBondContact O-CA 3.35Å; V82-G86 PolarHBondContact O-N 3.44Å; L84-G86 VanDerWaalsContact C-N 3.35Å; L84-G86 PolarHBondContact O-N 3.33Å; G86-V88 VanDerWaalsContact C-N 3.32Å; G86-V88 PolarHBondContact O-N 3.44Å; G86-P89 WeakPolarHBondContact O-CD 3.26Å; G86-K90 WeakPolarHBondContact O-CB 3.38Å; G86-K90 PolarHBondContact O-N 3.08Å; G86-K90 VanDerWaalsContact O-N 3.11Å; G86-M136 VanDerWaalsContact C-SD 3.59Å; G86-M136 WeakPolarHBondContact CA-SD 3Å
87S87.5Confident88.9Confident39 Ų3955 Ų5527%0.27330%0.301SS..Hα-helixtrans-62.2-36.1176.972.50000113.2L83 L84 Y85 S91L83-S87 WeakPolarHBondContact O-CB 3.35Å; L83-S87 PolarHBondContact O-N 2.85Å; L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 2.85Å; L84-S87 PolarHBondContact O-OG 3.28Å; Y85-S87 VanDerWaalsContact C-N 3.29Å; Y85-S87 PolarHBondContact O-N 2.99Å; S87-S91 WeakPolarHBondContact O-CB 3.47Å; S87-S91 PolarHBondContact O-N 3.28Å; S87-S91 PolarHBondContact O-OG 3.27Å; S87-S91 VanDerWaalsContact O-OG 3.06Å
88V88.1Confident88.9Confident104 Ų10455.1 Ų55.163%0.6330%0.303SS*.Hα-helixtrans-70.6-53.7-177.2173.80000111.3G86 K90 S91 A92G86-V88 VanDerWaalsContact C-N 3.32Å; G86-V88 PolarHBondContact O-N 3.44Å; V88-K90 VanDerWaalsContact C-N 3.26Å; V88-K90 PolarHBondContact O-N 3Å; V88-S91 PolarHBondContact O-N 2.9Å; V88-A92 WeakPolarHBondContact O-CB 3.44Å; V88-A92 PolarHBondContact O-N 2.55Å
89P90.2Very high88.9Confident60 Ų6057.2 Ų57.239%0.3932%0.315SS..Hα-helixtrans-60.2-36.3174.6-22.732.8000112.7Y85 G86 A92 V93 V132Y85-P89 WeakPolarHBondContact O-CD 3.44Å; G86-P89 WeakPolarHBondContact O-CD 3.26Å; P89-A92 PolarHBondContact O-N 3.19Å; P89-V93 WeakPolarHBondContact O-CG2 3.25Å; P89-V93 PolarHBondContact O-N 3.35Å; P89-V132 HydrophobicContact CB-CG1 3.99Å; P89-V132 HydrophobicContact CB-CG2 4.08Å
90K89.3Confident89Confident74 Ų7461.8 Ų61.832%0.32234%0.336SS..Hα-helixtrans-59.8-50.4178.3179.6-170.2175.5-170.10110.5G86 V88 R94 E128 V132 V133G86-K90 WeakPolarHBondContact O-CB 3.38Å; G86-K90 PolarHBondContact O-N 3.08Å; G86-K90 VanDerWaalsContact O-N 3.11Å; V88-K90 VanDerWaalsContact C-N 3.26Å; V88-K90 PolarHBondContact O-N 3Å; K90-R94 VanDerWaalsContact O-CB 3.25Å; K90-R94 WeakPolarHBondContact O-CB 3.47Å; K90-R94 PolarHBondContact O-N 2.8Å; K90-E128 WeakPolarHBondContact CE-OE1 2.89Å; K90-E128 HydrophobicContact CG-CG 3.8Å; K90-E128 WeakPolarHBondContact CG-OE1 3.15Å; K90-E128 IonicContact NZ-OE1 3.66Å; K90-V132 HydrophobicContact CB-CG1 3.97Å; K90-V133 HydrophobicContact CD-CG2 4.3Å; K90-V133 HydrophobicContact CG-CG2 4.12Å
91S88.3Confident88.9Confident53 Ų5363.8 Ų63.837%0.37134%0.344SS..Hα-helixtrans-61.9-44.4176-64.10000111.6S87 V88 V93 R94 F95S87-S91 WeakPolarHBondContact O-CB 3.47Å; S87-S91 PolarHBondContact O-N 3.28Å; S87-S91 PolarHBondContact O-OG 3.27Å; S87-S91 VanDerWaalsContact O-OG 3.06Å; V88-S91 PolarHBondContact O-N 2.9Å; S91-V93 PolarHBondContact O-N 3.4Å; S91-R94 PolarHBondContact O-N 3.45Å; S91-F95 WeakPolarHBondContact O-CD2 2.92Å; S91-F95 PolarHBondContact O-N 3.06Å
92A90.2Very high88.6Confident62 Ų6264.5 Ų64.551%0.51234%0.342SS..Hα-helixtrans-59.4-48.8179.800000112.4V88 P89 G96V88-A92 WeakPolarHBondContact O-CB 3.44Å; V88-A92 PolarHBondContact O-N 2.55Å; P89-A92 PolarHBondContact O-N 3.19Å; A92-G96 PolarHBondContact O-N 3.4Å
93V91.3Very high88.4Confident41 Ų4173.1 Ų73.125%0.24837%0.374CS..Hα-helixtrans-66-41.4178173.50000111.1P89 S91 A97 C127 E128 M131 V132P89-V93 WeakPolarHBondContact O-CG2 3.25Å; P89-V93 PolarHBondContact O-N 3.35Å; S91-V93 PolarHBondContact O-N 3.4Å; V93-A97 WeakPolarHBondContact O-CB 3.43Å; V93-A97 PolarHBondContact O-N 3.45Å; V93-C127 HydrophobicContact CG1-CB 4.34Å; V93-E128 HydrophobicContact CG1-CB 4.42Å; V93-M131 HydrophobicContact CG1-CB 4.41Å; V93-V132 HydrophobicContact CB-CG2 4.24Å; V93-V132 HydrophobicContact CG2-CG2 3.7Å
94R88.9Confident88Confident98 Ų9877.8 Ų77.837%0.3739%0.394SS..Hα-helixtrans-59-52.4178.1-177.8-175.6179.880.83.8111.9K90 S91 F98 E128K90-R94 VanDerWaalsContact O-CB 3.25Å; K90-R94 WeakPolarHBondContact O-CB 3.47Å; K90-R94 PolarHBondContact O-N 2.8Å; S91-R94 PolarHBondContact O-N 3.45Å; R94-F98 VanDerWaalsContact O-CB 3.22Å; R94-F98 WeakPolarHBondContact O-CB 3.29Å; R94-F98 PolarHBondContact O-N 3.2Å; R94-E128 HydrophobicContact CB-CG 4.16Å; R94-E128 WeakPolarHBondContact CB-OE2 3.23Å; R94-E128 WeakPolarHBondContact CD-OE2 3.29Å; R94-E128 WeakPolarHBondContact CG-OE2 3.43Å; R94-E128 IonicContact CZ-OE2 3.92Å; R94-E128 IonicContact NH1-OE2 2.9Å; R94-E128 PolarHBondContact NH1-OE2 3.49Å
95F88.9Confident87.4Confident135 Ų13578.1 Ų78.159%0.59240%0.397SS*.Hα-helixtrans-70.2-42.3-178.6-71.6-64.3000111.8S91 F98 E99S91-F95 WeakPolarHBondContact O-CD2 2.92Å; S91-F95 PolarHBondContact O-N 3.06Å; F95-F98 PolarHBondContact O-N 3.49Å; F95-E99 PolarHBondContact O-N 3.23Å
96G90.3Very high86.7Confident44 Ų4475.4 Ų75.445%0.45439%0.391SS..Hα-helixtrans-60.6-49.1176.900000112.3A92 F98 E99 E100A92-G96 PolarHBondContact O-N 3.4Å; G96-F98 PolarHBondContact O-N 3.41Å; G96-E99 PolarHBondContact O-N 3.28Å; G96-E100 WeakPolarHBondContact O-CB 3.48Å; G96-E100 PolarHBondContact O-N 3.09Å
97A90.5Very high85.8Confident15 Ų1575.7 Ų75.712%0.12439%0.391CS..Hα-helixtrans-65.3-40177.600000111.9V93 E100 F101 A124 C127V93-A97 WeakPolarHBondContact O-CB 3.43Å; V93-A97 PolarHBondContact O-N 3.45Å; A97-E100 PolarHBondContact O-N 3.02Å; A97-F101 HydrophobicContact CB-CD2 4.39Å; A97-F101 HydrophobicContact CB-CE2 4.16Å; A97-F101 WeakPolarHBondContact O-CD2 3.12Å; A97-F101 WeakPolarHBondContact O-CG 3.35Å; A97-F101 PolarHBondContact O-N 2.94Å; A97-A124 HydrophobicContact CB-CB 4.02Å; A97-C127 HydrophobicContact CB-CB 3.97Å
98F88.8Confident84.6Confident68 Ų6880.3 Ų80.330%0.29842%0.42SS..Hα-helixtrans-61.4-47.4177.8-179.3-94.4000112.1R94 F95 G96 E100 F101 K102 C120 A124R94-F98 VanDerWaalsContact O-CB 3.22Å; R94-F98 WeakPolarHBondContact O-CB 3.29Å; R94-F98 PolarHBondContact O-N 3.2Å; F95-F98 PolarHBondContact O-N 3.49Å; G96-F98 PolarHBondContact O-N 3.41Å; F98-E100 VanDerWaalsContact C-N 3.31Å; F98-E100 PolarHBondContact O-N 3.2Å; F98-F101 PolarHBondContact O-N 3.07Å; F98-K102 HydrophobicContact CE1-CD 4Å; F98-K102 WeakPolarHBondContact O-CB 3.29Å; F98-K102 PolarHBondContact O-N 2.81Å; F98-C120 HydrophobicContact CD2-CB 4.15Å; F98-C120 HydrophobicContact CE2-CB 4.03Å; F98-A124 HydrophobicContact CB-CB 3.91Å
99E87.9Confident83.5Confident96 Ų9681.7 Ų81.745%0.44942%0.424SS..Hα-helixtrans-66.5-34.8178.1-72.4-59.7115.300111.8F95 G96 K102 R103F95-E99 PolarHBondContact O-N 3.23Å; G96-E99 PolarHBondContact O-N 3.28Å; E99-K102 PolarHBondContact O-N 2.66Å; E99-K102 WeakPolarHBondContact OE1-CD 3.38Å; E99-K102 IonicContact OE1-NZ 3.87Å; E99-K102 PolarHBondContact OE1-NZ 3.43Å; E99-K102 IonicContact OE2-NZ 2.74Å; E99-K102 PolarHBondContact OE2-NZ 2.94Å; E99-R103 VanDerWaalsContact O-CB 3.27Å; E99-R103 WeakPolarHBondContact O-CB 3.42Å; E99-R103 PolarHBondContact O-N 3.04Å
100E89.3Confident82.3Confident99 Ų9981.1 Ų81.146%0.46343%0.429SS..Hα-helixtrans-65.9-46.8176.1-173.562.2-17100112.4G96 A97 F98 K102 R103 H104G96-E100 WeakPolarHBondContact O-CB 3.48Å; G96-E100 PolarHBondContact O-N 3.09Å; A97-E100 PolarHBondContact O-N 3.02Å; F98-E100 VanDerWaalsContact C-N 3.31Å; F98-E100 PolarHBondContact O-N 3.2Å; E100-K102 VanDerWaalsContact C-N 3.32Å; E100-K102 PolarHBondContact O-N 3.19Å; E100-R103 PolarHBondContact O-N 3.35Å; E100-H104 PolarHBondContact O-N 3.11Å; E100-H104 PolarHBondContact O-ND1 3.18Å; E100-H104 IonicContact OE1-CE1 3.03Å; E100-H104 PolarHBondContact OE1-CE1 2.87Å; E100-H104 IonicContact OE1-ND1 3.57Å
101F87.2Confident81.5Confident68 Ų6881.7 Ų81.730%0.29844%0.439SS..Hα-helixtrans-64.6-39.3175.2-73.3-57.2000111.8A97 F98 H104 N105 C120 A124A97-F101 HydrophobicContact CB-CD2 4.39Å; A97-F101 HydrophobicContact CB-CE2 4.16Å; A97-F101 WeakPolarHBondContact O-CD2 3.12Å; A97-F101 WeakPolarHBondContact O-CG 3.35Å; A97-F101 PolarHBondContact O-N 2.94Å; F98-F101 PolarHBondContact O-N 3.07Å; F101-H104 PolarHBondContact O-N 2.63Å; F101-N105 WeakPolarHBondContact O-CB 3.44Å; F101-N105 PolarHBondContact O-N 3.13Å; F101-N105 PolarHBondContact O-ND2 3.38Å; F101-C120 HydrophobicContact CB-CB 3.92Å; F101-A124 HydrophobicContact CD2-CB 4.49Å
102K83.4Confident80.5Confident66 Ų6680 Ų8029%0.28743%0.425SS..Hα-helixtrans-64.2-43.9177.6179.8-174.1165.4-159.90111.4F98 E99 E100 H104 N105 L106 L112F98-K102 HydrophobicContact CE1-CD 4Å; F98-K102 WeakPolarHBondContact O-CB 3.29Å; F98-K102 PolarHBondContact O-N 2.81Å; E99-K102 PolarHBondContact O-N 2.66Å; E99-K102 WeakPolarHBondContact OE1-CD 3.38Å; E99-K102 IonicContact OE1-NZ 3.87Å; E99-K102 PolarHBondContact OE1-NZ 3.43Å; E99-K102 IonicContact OE2-NZ 2.74Å; E99-K102 PolarHBondContact OE2-NZ 2.94Å; E100-K102 VanDerWaalsContact C-N 3.32Å; E100-K102 PolarHBondContact O-N 3.19Å; K102-H104 VanDerWaalsContact C-N 3.26Å; K102-H104 PolarHBondContact O-N 3.4Å; K102-N105 PolarHBondContact O-N 2.78Å; K102-L106 WeakPolarHBondContact O-CB 3.34Å; K102-L106 PolarHBondContact O-N 3.16Å; K102-L112 HydrophobicContact CG-CD1 3.77Å; K102-L112 HydrophobicContact CG-CD2 4.14Å
103R84.2Confident79.9Confident186 Ų18681.3 Ų81.370%0.70243%0.427SS*.Hα-helixtrans-57-39.7176.2174-179.5148.275.35111.8E99 E100E99-R103 VanDerWaalsContact O-CB 3.27Å; E99-R103 WeakPolarHBondContact O-CB 3.42Å; E99-R103 PolarHBondContact O-N 3.04Å; E100-R103 PolarHBondContact O-N 3.35Å
104H80.4Confident79.2Confident125 Ų12582.9 Ų82.958%0.57945%0.445SS*.Hα-helixtrans-79.3-24.9179.5-7583.9000114.3E100 F101 K102E100-H104 PolarHBondContact O-N 3.11Å; E100-H104 PolarHBondContact O-ND1 3.18Å; E100-H104 IonicContact OE1-CE1 3.03Å; E100-H104 PolarHBondContact OE1-CE1 2.87Å; E100-H104 IonicContact OE1-ND1 3.57Å; F101-H104 PolarHBondContact O-N 2.63Å; K102-H104 VanDerWaalsContact C-N 3.26Å; K102-H104 PolarHBondContact O-N 3.4Å
105N75.9Confident78.7Confident58 Ų5880.2 Ų80.231%0.3145%0.447SS..Hα-helixtrans-107.74.7-174.7-73.4-80.8000114.5F101 K102 S107 R116F101-N105 WeakPolarHBondContact O-CB 3.44Å; F101-N105 PolarHBondContact O-N 3.13Å; F101-N105 PolarHBondContact O-ND2 3.38Å; K102-N105 PolarHBondContact O-N 2.78Å; N105-S107 PolarHBondContact O-N 3.3Å; N105-R116 WeakPolarHBondContact O-CD 3.38Å; N105-R116 PolarHBondContact O-NH1 2.97Å; N105-R116 VanDerWaalsContact O-NH1 3.1Å
106L73.2Confident78.3Confident82 Ų8278.4 Ų78.443%0.42944%0.437SS..  trans-62.8123.3-178.6-162.264.2000109.7K102 G110 L112K102-L106 WeakPolarHBondContact O-CB 3.34Å; K102-L106 PolarHBondContact O-N 3.16Å; L106-G110 WeakPolarHBondContact CD1-O 3.14Å; L106-L112 HydrophobicContact CD1-CD1 3.5Å
107S68.1Low77.9Confident17 Ų1782 Ų8212%0.11944%0.44CS..  trans-65.1156.3166.9-64.70000109.8N105 D109 G110 T111 R116N105-S107 PolarHBondContact O-N 3.3Å; S107-D109 PolarHBondContact O-N 2.74Å; S107-G110 PolarHBondContact O-N 2.83Å; S107-T111 WeakPolarHBondContact CB-O 3.42Å; S107-T111 PolarHBondContact OG-O 3.19Å; S107-R116 PolarHBondContact OG-NH1 2.94Å
108P63.2Low77.5Confident136 Ų13684.8 Ų84.888%0.88345%0.452SS*.THydrogen-bonded Turntrans-49.9-32175.4-26.133.8000113.5G110P108-G110 PolarHBondContact O-N 3.02Å
109D63.2Low77.3Confident133 Ų13386.9 Ų86.971%0.71147%0.466SS*.THydrogen-bonded Turntrans-76.24.4-179.4-45.9-44.6000114.4S107 T111S107-D109 PolarHBondContact O-N 2.74Å; D109-T111 PolarHBondContact O-N 3.41Å
110G65.2Low77.2Confident47 Ų4782.3 Ų82.349%0.48545%0.445SS..SBendtrans69.32.6-177.400000114.5L106 S107 P108L106-G110 WeakPolarHBondContact CD1-O 3.14Å; S107-G110 PolarHBondContact O-N 2.83Å; P108-G110 PolarHBondContact O-N 3.02Å
111T72.4Confident77.1Confident87 Ų8778.7 Ų78.753%0.53443%0.434SS..  trans-101146.7177.667.80000111.3S107 D109S107-T111 WeakPolarHBondContact CB-O 3.42Å; S107-T111 PolarHBondContact OG-O 3.19Å; D109-T111 PolarHBondContact O-N 3.41Å
112L68.4Low77.1Confident16 Ų1678.2 Ų78.28%0.08443%0.434CS..  trans-106.9124.4169-74.585.9000108.2K102 L106 R116 K117K102-L112 HydrophobicContact CG-CD1 3.77Å; K102-L112 HydrophobicContact CG-CD2 4.14Å; L106-L112 HydrophobicContact CD1-CD1 3.5Å; L112-R116 HydrophobicContact CB-CB 4.3Å; L112-R116 HydrophobicContact CD2-CB 4.31Å; L112-K117 HydrophobicContact CB-CD 4.28Å; L112-K117 HydrophobicContact CB-CG 3.42Å; L112-K117 VanDerWaalsContact CB-CG 3.42Å; L112-K117 HydrophobicContact CD2-CG 4.27Å; L112-K117 HydrophobicContact CG-CG 4.44Å; L112-K117 WeakPolarHBondContact O-CE 3.42Å
113T77.4Confident77.4Confident90 Ų9076 Ų7655%0.55243%0.429SS*.  trans-53.8149.3166.9-45.30000109.8G115 R116 K117T113-G115 PolarHBondContact O-N 3.19Å; T113-G115 VanDerWaalsContact O-N 3.13Å; T113-R116 PolarHBondContact O-N 3.49Å; T113-K117 PolarHBondContact O-N 3.4Å
114A75.2Confident77.6Confident75 Ų7567.2 Ų67.262%0.6240%0.397SS*.Hα-helixtrans-49.4-41.9-179.500000112.9K117 L118A114-K117 PolarHBondContact O-N 2.99Å; A114-L118 PolarHBondContact O-N 3.37Å
115G78.5Confident78Confident41 Ų4161.6 Ų61.642%0.42337%0.373SS..Hα-helixtrans-61.9-42.3174.800000113.8T113 L118 L119T113-G115 PolarHBondContact O-N 3.19Å; T113-G115 VanDerWaalsContact O-N 3.13Å; G115-L118 WeakPolarHBondContact O-CB 3.38Å; G115-L118 PolarHBondContact O-N 3.41Å; G115-L119 WeakPolarHBondContact O-CG 3.18Å; G115-L119 PolarHBondContact O-N 3.49Å
116R81.2Confident78.7Confident97 Ų9761.5 Ų61.537%0.36637%0.374SS..Hα-helixtrans-68.7-37.9177.2-67.6-171-175.5171.47.9112.2N105 S107 L112 T113 L118 L119 C120N105-R116 WeakPolarHBondContact O-CD 3.38Å; N105-R116 PolarHBondContact O-NH1 2.97Å; N105-R116 VanDerWaalsContact O-NH1 3.1Å; S107-R116 PolarHBondContact OG-NH1 2.94Å; L112-R116 HydrophobicContact CB-CB 4.3Å; L112-R116 HydrophobicContact CD2-CB 4.31Å; T113-R116 PolarHBondContact O-N 3.49Å; R116-L118 VanDerWaalsContact C-N 3.3Å; R116-L118 PolarHBondContact O-N 3.37Å; R116-L119 PolarHBondContact O-N 2.74Å; R116-C120 PolarHBondContact O-N 3Å; R116-C120 PolarHBondContact O-SG 3.48Å
117K81.2Confident79.5Confident120 Ų12059.6 Ų59.652%0.52237%0.367SS..Hα-helixtrans-60.5-42.9172.1-68.8-177.2176.5166.60111.2L112 T113 A114 C120 G121L112-K117 HydrophobicContact CB-CD 4.28Å; L112-K117 HydrophobicContact CB-CG 3.42Å; L112-K117 VanDerWaalsContact CB-CG 3.42Å; L112-K117 HydrophobicContact CD2-CG 4.27Å; L112-K117 HydrophobicContact CG-CG 4.44Å; L112-K117 WeakPolarHBondContact O-CE 3.42Å; T113-K117 PolarHBondContact O-N 3.4Å; A114-K117 PolarHBondContact O-N 2.99Å; K117-C120 PolarHBondContact O-N 2.95Å; K117-G121 PolarHBondContact O-N 3.16Å
118L83Confident80.5Confident73 Ų7358.9 Ų58.938%0.38236%0.362SS..Hα-helixtrans-62.2-45.7175.7-175.767.7000111A114 G115 R116 G121 L122A114-L118 PolarHBondContact O-N 3.37Å; G115-L118 WeakPolarHBondContact O-CB 3.38Å; G115-L118 PolarHBondContact O-N 3.41Å; R116-L118 VanDerWaalsContact C-N 3.3Å; R116-L118 PolarHBondContact O-N 3.37Å; L118-G121 PolarHBondContact O-N 3.38Å; L118-L122 HydrophobicContact CD1-CD1 4.29Å; L118-L122 HydrophobicContact CD1-CG 4.25Å; L118-L122 HydrophobicContact CD2-CD1 4.47Å; L118-L122 HydrophobicContact CG-CD1 3.92Å; L118-L122 HydrophobicContact CG-CG 4.28Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.44Å; L118-L122 PolarHBondContact O-N 3.02Å
119L84.5Confident81.8Confident112 Ų11252.4 Ų52.459%0.58632%0.32SS*.Hα-helixtrans-60.5-45.5176.6-71.4174.4000112.4G115 R116 G121 L122 G123G115-L119 WeakPolarHBondContact O-CG 3.18Å; G115-L119 PolarHBondContact O-N 3.49Å; R116-L119 PolarHBondContact O-N 2.74Å; L119-G121 VanDerWaalsContact C-N 3.33Å; L119-G121 PolarHBondContact O-N 3.27Å; L119-L122 PolarHBondContact O-N 2.99Å; L119-G123 PolarHBondContact O-N 3.48Å
120C86.5Confident83Confident1 Ų148.9 Ų48.91%0.00730%0.301CS..Hα-helixtrans-62.4-42.3176.2-62.40000111.3F98 F101 R116 K117 A124F98-C120 HydrophobicContact CD2-CB 4.15Å; F98-C120 HydrophobicContact CE2-CB 4.03Å; F101-C120 HydrophobicContact CB-CB 3.92Å; R116-C120 PolarHBondContact O-N 3Å; R116-C120 PolarHBondContact O-SG 3.48Å; K117-C120 PolarHBondContact O-N 2.95Å; C120-A124 VanDerWaalsContact O-CB 3.22Å; C120-A124 WeakPolarHBondContact O-CB 3.47Å; C120-A124 PolarHBondContact O-N 3.41Å
121G86.3Confident84.2Confident22 Ų2252.3 Ų52.323%0.22731%0.305CS..Hα-helixtrans-67-40.2177.800000113.5K117 L118 L119 G125K117-G121 PolarHBondContact O-N 3.16Å; L118-G121 PolarHBondContact O-N 3.38Å; L119-G121 VanDerWaalsContact C-N 3.33Å; L119-G121 PolarHBondContact O-N 3.27Å; G121-G125 PolarHBondContact O-N 3.47Å
122L86.9Confident85Confident59 Ų5949 Ų4931%0.30929%0.285SS..Hα-helixtrans-68.7-46.6175.6-73.2175.9000111L118 L119 A124 G125 V126 Q188L118-L122 HydrophobicContact CD1-CD1 4.29Å; L118-L122 HydrophobicContact CD1-CG 4.25Å; L118-L122 HydrophobicContact CD2-CD1 4.47Å; L118-L122 HydrophobicContact CG-CD1 3.92Å; L118-L122 HydrophobicContact CG-CG 4.28Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.44Å; L118-L122 PolarHBondContact O-N 3.02Å; L119-L122 PolarHBondContact O-N 2.99Å; L122-A124 PolarHBondContact O-N 3.04Å; L122-G125 CarbonylContact O-C 3.57Å; L122-G125 PolarHBondContact O-N 3.4Å; L122-G125 VanDerWaalsContact O-N 3.15Å; L122-V126 WeakPolarHBondContact O-CG2 3.24Å; L122-V126 PolarHBondContact O-N 3.38Å; L122-Q188 HydrophobicContact CD2-CB 4.25Å
123G89.4Confident85.9Confident18 Ų1848.5 Ų48.519%0.18628%0.283CS..Hα-helixtrans-57.9-48.1175.800000111.7L119 G125 V126 C127L119-G123 PolarHBondContact O-N 3.48Å; G123-G125 VanDerWaalsContact C-N 3.31Å; G123-G125 PolarHBondContact O-N 2.94Å; G123-V126 PolarHBondContact O-N 3.48Å; G123-V126 VanDerWaalsContact O-N 3.16Å; G123-C127 PolarHBondContact O-N 2.93Å; G123-C127 PolarHBondContact O-SG 3.45Å; G123-C127 VanDerWaalsContact O-SG 3.41Å
124A89.5Confident86.4Confident2 Ų244.2 Ų44.22%0.01726%0.256CS..Hα-helixtrans-59.4-42.7174.800000111.9A97 F98 F101 C120 L122 V126 C127 E128A97-A124 HydrophobicContact CB-CB 4.02Å; F98-A124 HydrophobicContact CB-CB 3.91Å; F101-A124 HydrophobicContact CD2-CB 4.49Å; C120-A124 VanDerWaalsContact O-CB 3.22Å; C120-A124 WeakPolarHBondContact O-CB 3.47Å; C120-A124 PolarHBondContact O-N 3.41Å; L122-A124 PolarHBondContact O-N 3.04Å; A124-V126 VanDerWaalsContact C-N 3.34Å; A124-V126 PolarHBondContact O-N 3.14Å; A124-C127 PolarHBondContact O-N 2.81Å; A124-E128 WeakPolarHBondContact O-CB 3.27Å; A124-E128 PolarHBondContact O-N 2.7Å
125G88Confident87.1Confident7 Ų741.4 Ų41.47%0.07223%0.231CC..Hα-helixtrans-63.6-35.3175.800000113.6G121 L122 G123 A129G121-G125 PolarHBondContact O-N 3.47Å; L122-G125 CarbonylContact O-C 3.57Å; L122-G125 PolarHBondContact O-N 3.4Å; L122-G125 VanDerWaalsContact O-N 3.15Å; G123-G125 VanDerWaalsContact C-N 3.31Å; G123-G125 PolarHBondContact O-N 2.94Å; G125-A129 WeakPolarHBondContact O-CB 3.13Å; G125-A129 PolarHBondContact O-N 2.85Å
126V90.4Very high87.6Confident57 Ų5740.1 Ų40.135%0.34522%0.215SC..Hα-helixtrans-70.2-45.7175.1171.80000110.8L122 G123 A124 A129 I130 I181L122-V126 WeakPolarHBondContact O-CG2 3.24Å; L122-V126 PolarHBondContact O-N 3.38Å; G123-V126 PolarHBondContact O-N 3.48Å; G123-V126 VanDerWaalsContact O-N 3.16Å; A124-V126 VanDerWaalsContact C-N 3.34Å; A124-V126 PolarHBondContact O-N 3.14Å; V126-A129 WeakPolarHBondContact O-CB 3.3Å; V126-A129 PolarHBondContact O-N 3.25Å; V126-I130 HydrophobicContact CG1-CD1 3.74Å; V126-I130 HydrophobicContact CG1-CG1 4.45Å; V126-I130 WeakPolarHBondContact O-CG1 3.45Å; V126-I130 PolarHBondContact O-N 3.47Å; V126-I181 HydrophobicContact CG2-CG2 4.25Å
127C90.2Very high87.9Confident42 Ų4236.6 Ų36.628%0.28420%0.202SC..Hα-helixtrans-59.9-47.3174.8-67.70000111.4V93 A97 G123 A124 A129 I130 M131V93-C127 HydrophobicContact CG1-CB 4.34Å; A97-C127 HydrophobicContact CB-CB 3.97Å; G123-C127 PolarHBondContact O-N 2.93Å; G123-C127 PolarHBondContact O-SG 3.45Å; G123-C127 VanDerWaalsContact O-SG 3.41Å; A124-C127 PolarHBondContact O-N 2.81Å; C127-A129 VanDerWaalsContact C-N 3.29Å; C127-A129 PolarHBondContact O-N 2.92Å; C127-I130 PolarHBondContact O-N 3.47Å; C127-M131 VanDerWaalsContact O-CB 3.32Å; C127-M131 WeakPolarHBondContact O-CB 3.39Å; C127-M131 VanDerWaalsContact O-CG 3.28Å; C127-M131 WeakPolarHBondContact O-CG 3.49Å; C127-M131 PolarHBondContact O-N 3.21Å
128E90.4Very high88.2Confident2 Ų230.9 Ų30.91%0.00918%0.178CC..Hα-helixtrans-56.4-44.6173.5-170.8-158.1137.900110.8K90 V93 R94 A124 V132 V133K90-E128 WeakPolarHBondContact CE-OE1 2.89Å; K90-E128 HydrophobicContact CG-CG 3.8Å; K90-E128 WeakPolarHBondContact CG-OE1 3.15Å; K90-E128 IonicContact NZ-OE1 3.66Å; V93-E128 HydrophobicContact CG1-CB 4.42Å; R94-E128 HydrophobicContact CB-CG 4.16Å; R94-E128 WeakPolarHBondContact CB-OE2 3.23Å; R94-E128 WeakPolarHBondContact CD-OE2 3.29Å; R94-E128 WeakPolarHBondContact CG-OE2 3.43Å; R94-E128 IonicContact CZ-OE2 3.92Å; R94-E128 IonicContact NH1-OE2 2.9Å; R94-E128 PolarHBondContact NH1-OE2 3.49Å; A124-E128 WeakPolarHBondContact O-CB 3.27Å; A124-E128 PolarHBondContact O-N 2.7Å; E128-V132 PolarHBondContact O-N 3.4Å; E128-V132 VanDerWaalsContact O-N 3.09Å; E128-V133 HydrophobicContact CG-CG2 3.86Å; E128-V133 WeakPolarHBondContact O-CG2 3.44Å; E128-V133 PolarHBondContact O-N 3.42Å; E128-V133 WeakPolarHBondContact OE1-CG2 3.48Å
129A88.7Confident88.5Confident0 Ų028.3 Ų28.30%016%0.164CC..Iπ-helixtrans-61.3-48.5-179.600000112.6G125 V126 C127 T134 T180 I181G125-A129 WeakPolarHBondContact O-CB 3.13Å; G125-A129 PolarHBondContact O-N 2.85Å; V126-A129 WeakPolarHBondContact O-CB 3.3Å; V126-A129 PolarHBondContact O-N 3.25Å; C127-A129 VanDerWaalsContact C-N 3.29Å; C127-A129 PolarHBondContact O-N 2.92Å; A129-T134 VanDerWaalsContact O-CB 3.29Å; A129-T134 WeakPolarHBondContact O-CB 3.42Å; A129-T134 PolarHBondContact O-N 2.97Å; A129-T134 PolarHBondContact O-OG1 2.91Å; A129-T180 HydrophobicContact CB-CG2 4.18Å; A129-I181 HydrophobicContact CB-CG1 4.13Å
130I89.9Confident88.8Confident59 Ų5923.1 Ų23.130%0.30314%0.137SC..Iπ-helixtrans-70.8-51.7-177-66.4168.7000110.1V126 C127 Y174 V177 I181V126-I130 HydrophobicContact CG1-CD1 3.74Å; V126-I130 HydrophobicContact CG1-CG1 4.45Å; V126-I130 WeakPolarHBondContact O-CG1 3.45Å; V126-I130 PolarHBondContact O-N 3.47Å; C127-I130 PolarHBondContact O-N 3.47Å; I130-Y174 HydrophobicContact CG2-CE1 4.04Å; I130-Y174 VanDerWaalsContact O-CE1 3.31Å; I130-Y174 WeakPolarHBondContact O-CE1 3.34Å; I130-V177 HydrophobicContact CG1-CG2 4.06Å; I130-I181 HydrophobicContact CD1-CD1 4.23Å; I130-I181 HydrophobicContact CG1-CD1 4.01Å
131M89.1Confident88.9Confident119 Ų11923.1 Ų23.159%0.58614%0.137SC*.Iπ-helixtrans-76.4-34.9-168.3-63.4-62.5-72.300113.3V93 C127 P135V93-M131 HydrophobicContact CG1-CB 4.41Å; C127-M131 VanDerWaalsContact O-CB 3.32Å; C127-M131 WeakPolarHBondContact O-CB 3.39Å; C127-M131 VanDerWaalsContact O-CG 3.28Å; C127-M131 WeakPolarHBondContact O-CG 3.49Å; C127-M131 PolarHBondContact O-N 3.21Å; M131-P135 WeakPolarHBondContact O-CG 3.48Å
132V89.3Confident88.9Confident18 Ų1822.2 Ų22.211%0.10913%0.126CC..Iπ-helixtrans-128.1-52.6-170.2-173.90000112.5P89 K90 V93 E128 T134 P135 M136P89-V132 HydrophobicContact CB-CG1 3.99Å; P89-V132 HydrophobicContact CB-CG2 4.08Å; K90-V132 HydrophobicContact CB-CG1 3.97Å; V93-V132 HydrophobicContact CB-CG2 4.24Å; V93-V132 HydrophobicContact CG2-CG2 3.7Å; E128-V132 PolarHBondContact O-N 3.4Å; E128-V132 VanDerWaalsContact O-N 3.09Å; V132-T134 PolarHBondContact O-N 3.5Å; V132-P135 VanDerWaalsContact O-CD 3.29Å; V132-P135 WeakPolarHBondContact O-CD 3.39Å; V132-P135 VanDerWaalsContact O-CG 3.3Å; V132-P135 WeakPolarHBondContact O-CG 3.2Å; V132-M136 WeakPolarHBondContact O-CB 3.44Å; V132-M136 PolarHBondContact O-N 3.38Å
133V88.2Confident89Confident5 Ų519.6 Ų19.63%0.0311%0.113CC..Iπ-helixtrans-66.3-43.7-168.8179.20000111.1K90 E128 E137 T180K90-V133 HydrophobicContact CD-CG2 4.3Å; K90-V133 HydrophobicContact CG-CG2 4.12Å; E128-V133 HydrophobicContact CG-CG2 3.86Å; E128-V133 WeakPolarHBondContact O-CG2 3.44Å; E128-V133 PolarHBondContact O-N 3.42Å; E128-V133 WeakPolarHBondContact OE1-CG2 3.48Å; V133-E137 HydrophobicContact CG1-CG 3.68Å; V133-E137 WeakPolarHBondContact O-CB 3.36Å; V133-E137 WeakPolarHBondContact O-CG 3.46Å; V133-E137 PolarHBondContact O-N 2.8Å; V133-T180 HydrophobicContact CB-CG2 4.47Å; V133-T180 HydrophobicContact CG1-CG2 3.94Å
134T88.5Confident88.8Confident0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-59.9-56.9179.3-55.50000111.3A129 V132 M136 E137 T138 V177 Q246A129-T134 VanDerWaalsContact O-CB 3.29Å; A129-T134 WeakPolarHBondContact O-CB 3.42Å; A129-T134 PolarHBondContact O-N 2.97Å; A129-T134 PolarHBondContact O-OG1 2.91Å; V132-T134 PolarHBondContact O-N 3.5Å; T134-M136 PolarHBondContact O-N 3.14Å; T134-E137 PolarHBondContact O-N 3.31Å; T134-T138 WeakPolarHBondContact O-CB 3.29Å; T134-T138 PolarHBondContact O-N 3.22Å; T134-T138 PolarHBondContact O-OG1 3.1Å; T134-V177 HydrophobicContact CG2-CB 3.94Å; T134-V177 HydrophobicContact CG2-CG2 4.46Å; T134-Q246 PolarHBondContact O-NE2 3.25Å
135P88.4Confident88.5Confident15 Ų1519.4 Ų19.410%0.09711%0.107CC..Hα-helixtrans-62.5-41.6179.422.3-32.5000113.1M131 V132 T138 I139 M173M131-P135 WeakPolarHBondContact O-CG 3.48Å; V132-P135 VanDerWaalsContact O-CD 3.29Å; V132-P135 WeakPolarHBondContact O-CD 3.39Å; V132-P135 VanDerWaalsContact O-CG 3.3Å; V132-P135 WeakPolarHBondContact O-CG 3.2Å; P135-T138 PolarHBondContact O-N 3.34Å; P135-I139 WeakPolarHBondContact O-CD1 3.31Å; P135-I139 VanDerWaalsContact O-CG1 3.24Å; P135-I139 WeakPolarHBondContact O-CG1 3.45Å; P135-I139 PolarHBondContact O-N 2.93Å; P135-M173 HydrophobicContact CB-CB 4.36Å; P135-M173 HydrophobicContact CB-CE 3.29Å
136M89Confident88.4Confident14 Ų1419.2 Ų19.27%0.06910%0.104CC..Hα-helixtrans-60.6-47.4177.2-179.5-165.474.700111.7V82 L83 G86 V132 T134 I139 K140V82-M136 HydrophobicContact CG1-CG 4.05Å; V82-M136 VanDerWaalsContact CG1-O 3.31Å; V82-M136 WeakPolarHBondContact CG1-O 3.3Å; L83-M136 HydrophobicContact CD2-CE 4.31Å; G86-M136 VanDerWaalsContact C-SD 3.59Å; G86-M136 WeakPolarHBondContact CA-SD 3Å; V132-M136 WeakPolarHBondContact O-CB 3.44Å; V132-M136 PolarHBondContact O-N 3.38Å; T134-M136 PolarHBondContact O-N 3.14Å; M136-I139 PolarHBondContact O-N 3.43Å; M136-K140 WeakPolarHBondContact O-CB 3.44Å; M136-K140 PolarHBondContact O-N 3.04Å
137E88.7Confident88Confident24 Ų2417.3 Ų17.311%0.1129%0.092CC..Hα-helixtrans-68.2-39.9-179.9-69.6-80.5114.200111.3V133 T134 I139 K140 V141 K242V133-E137 HydrophobicContact CG1-CG 3.68Å; V133-E137 WeakPolarHBondContact O-CB 3.36Å; V133-E137 WeakPolarHBondContact O-CG 3.46Å; V133-E137 PolarHBondContact O-N 2.8Å; T134-E137 PolarHBondContact O-N 3.31Å; E137-I139 VanDerWaalsContact C-N 3.34Å; E137-I139 PolarHBondContact O-N 3.45Å; E137-K140 WeakPolarHBondContact O-CB 3.43Å; E137-K140 PolarHBondContact O-N 3.49Å; E137-K140 WeakPolarHBondContact OE1-CE 3.45Å; E137-K140 IonicContact OE1-NZ 3.97Å; E137-K140 PolarHBondContact OE1-NZ 2.95Å; E137-K140 IonicContact OE2-NZ 3.53Å; E137-K140 PolarHBondContact OE2-NZ 2.76Å; E137-V141 WeakPolarHBondContact O-CB 3.44Å; E137-V141 VanDerWaalsContact O-CG2 3.23Å; E137-V141 WeakPolarHBondContact O-CG2 3.36Å; E137-V141 PolarHBondContact O-N 3.27Å; E137-K242 IonicContact OE2-NZ 3.54Å; E137-K242 PolarHBondContact OE2-NZ 3.03Å
138T87.2Confident87.2Confident0 Ų016.7 Ų16.70%09%0.087CC..Hα-helixtrans-60.7-44.8175.1-58.70000111.1T134 P135 V141 K142 G172 M173 Q246T134-T138 WeakPolarHBondContact O-CB 3.29Å; T134-T138 PolarHBondContact O-N 3.22Å; T134-T138 PolarHBondContact O-OG1 3.1Å; P135-T138 PolarHBondContact O-N 3.34Å; T138-V141 PolarHBondContact O-N 3.46Å; T138-K142 HydrophobicContact CG2-CD 4.25Å; T138-K142 WeakPolarHBondContact O-CB 3.47Å; T138-K142 VanDerWaalsContact O-CG 3.29Å; T138-K142 WeakPolarHBondContact O-CG 3.49Å; T138-K142 PolarHBondContact O-N 2.96Å; T138-G172 WeakPolarHBondContact CG2-O 3.39Å; T138-M173 PolarHBondContact OG1-O 3.01Å; T138-Q246 WeakPolarHBondContact OG1-CG 3.33Å; T138-Q246 PolarHBondContact OG1-NE2 3.32Å
139I89.8Confident86.4Confident19 Ų1918.3 Ų18.310%0.09710%0.098CC..Hα-helixtrans-61.8-48.6175.3-67.6165.9000110V82 P135 M136 E137 V141 K142 F143 I164 M173V82-I139 HydrophobicContact CG1-CB 4.01Å; V82-I139 HydrophobicContact CG1-CG2 3.76Å; V82-I139 HydrophobicContact CG2-CG2 3.87Å; P135-I139 WeakPolarHBondContact O-CD1 3.31Å; P135-I139 VanDerWaalsContact O-CG1 3.24Å; P135-I139 WeakPolarHBondContact O-CG1 3.45Å; P135-I139 PolarHBondContact O-N 2.93Å; M136-I139 PolarHBondContact O-N 3.43Å; E137-I139 VanDerWaalsContact C-N 3.34Å; E137-I139 PolarHBondContact O-N 3.45Å; I139-V141 PolarHBondContact O-N 3.04Å; I139-K142 PolarHBondContact O-N 3.4Å; I139-F143 HydrophobicContact CG2-CD2 3.64Å; I139-F143 HydrophobicContact CG2-CE2 3.67Å; I139-F143 VanDerWaalsContact O-CD2 3.29Å; I139-F143 WeakPolarHBondContact O-CD2 3.19Å; I139-F143 PolarHBondContact O-N 2.92Å; I139-I164 HydrophobicContact CB-CD1 4.39Å; I139-I164 HydrophobicContact CG1-CD1 4.26Å; I139-I164 HydrophobicContact CG2-CD1 4.08Å; I139-M173 HydrophobicContact CD1-CE 4.06Å
140K89.9Confident85.5Confident3 Ų328 Ų281%0.01314%0.14CC..Hα-helixtrans-54.8-51.3178.5179.1-166.170.6-1750111.5E39 V82 L83 M136 E137 K142 F143 I144E39-K140 IonicContact OE2-NZ 4Å; V82-K140 HydrophobicContact CB-CB 4.32Å; V82-K140 HydrophobicContact CG1-CB 4.09Å; L83-K140 HydrophobicContact CD1-CD 3.47Å; L83-K140 VanDerWaalsContact CD1-CD 3.47Å; L83-K140 HydrophobicContact CD1-CG 4.38Å; L83-K140 HydrophobicContact CG-CD 3.83Å; M136-K140 WeakPolarHBondContact O-CB 3.44Å; M136-K140 PolarHBondContact O-N 3.04Å; E137-K140 WeakPolarHBondContact O-CB 3.43Å; E137-K140 PolarHBondContact O-N 3.49Å; E137-K140 WeakPolarHBondContact OE1-CE 3.45Å; E137-K140 IonicContact OE1-NZ 3.97Å; E137-K140 PolarHBondContact OE1-NZ 2.95Å; E137-K140 IonicContact OE2-NZ 3.53Å; E137-K140 PolarHBondContact OE2-NZ 2.76Å; K140-K142 PolarHBondContact O-N 2.99Å; K140-F143 PolarHBondContact O-N 2.72Å; K140-I144 HydrophobicContact CD-CD1 4.48Å; K140-I144 HydrophobicContact CG-CD1 3.93Å; K140-I144 WeakPolarHBondContact O-CG1 3.22Å; K140-I144 PolarHBondContact O-N 2.78Å
141V87.9Confident84.6Confident1 Ų130.8 Ų30.81%0.00616%0.156CC..Hα-helixtrans-63.2-42.2-177.8174.40000110.5T43 L47 E137 T138 I139 F143 I144 N145 T243 Q246T43-V141 HydrophobicContact CG2-CB 4.41Å; T43-V141 HydrophobicContact CG2-CG1 4.17Å; T43-V141 HydrophobicContact CG2-CG2 4.02Å; L47-V141 HydrophobicContact CD1-CG1 3.98Å; L47-V141 HydrophobicContact CD2-CG1 3.9Å; L47-V141 HydrophobicContact CG-CG1 4.32Å; E137-V141 WeakPolarHBondContact O-CB 3.44Å; E137-V141 VanDerWaalsContact O-CG2 3.23Å; E137-V141 WeakPolarHBondContact O-CG2 3.36Å; E137-V141 PolarHBondContact O-N 3.27Å; T138-V141 PolarHBondContact O-N 3.46Å; I139-V141 PolarHBondContact O-N 3.04Å; V141-F143 PolarHBondContact O-N 3.4Å; V141-I144 PolarHBondContact O-N 2.98Å; V141-N145 WeakPolarHBondContact O-CB 2.98Å; V141-N145 PolarHBondContact O-N 2.98Å; V141-T243 HydrophobicContact CG1-CG2 4.16Å; V141-Q246 HydrophobicContact CB-CB 4.02Å; V141-Q246 HydrophobicContact CG1-CB 4.05Å; V141-Q246 HydrophobicContact CG2-CB 4.15Å
142K87.6Confident84Confident2 Ų228.3 Ų28.31%0.00915%0.149CC..Hα-helixtrans-63.3-40.1174.6-71.6-177.5-177.5-175.80113T138 I139 K140 I144 N145 D146 Y154 I164 H168 L248T138-K142 HydrophobicContact CG2-CD 4.25Å; T138-K142 WeakPolarHBondContact O-CB 3.47Å; T138-K142 VanDerWaalsContact O-CG 3.29Å; T138-K142 WeakPolarHBondContact O-CG 3.49Å; T138-K142 PolarHBondContact O-N 2.96Å; I139-K142 PolarHBondContact O-N 3.4Å; K140-K142 PolarHBondContact O-N 2.99Å; K142-I144 VanDerWaalsContact C-N 3.31Å; K142-I144 PolarHBondContact O-N 3.42Å; K142-N145 PolarHBondContact O-N 3.42Å; K142-D146 VanDerWaalsContact O-CB 3.26Å; K142-D146 WeakPolarHBondContact O-CB 3.25Å; K142-D146 PolarHBondContact O-N 2.92Å; K142-Y154 HydrophobicContact CB-CE2 4.25Å; K142-I164 HydrophobicContact CB-CD1 3.94Å; K142-I164 HydrophobicContact CD-CD1 4.11Å; K142-I164 HydrophobicContact CD-CG1 4.02Å; K142-I164 HydrophobicContact CD-CG2 3.98Å; K142-H168 PolarHBondContact NZ-CD2 3.34Å; K142-H168 PolarHBondContact NZ-ND1 3.35Å; K142-H168 PolarHBondContact NZ-NE2 3.38Å; K142-L248 HydrophobicContact CB-CD2 4.18Å; K142-L248 HydrophobicContact CD-CD2 4.29Å; K142-L248 HydrophobicContact CG-CD2 3.97Å
143F87.8Confident83.4Confident5 Ų532.8 Ų32.82%0.02217%0.168CC..Hα-helixtrans-63.9-35.9175.4-95.8-98.1000113.1R78 V82 I139 K140 V141 Y154 G156 F157 G160 I164R78-F143 WeakPolarHBondContact CG-O 3.27Å; V82-F143 HydrophobicContact CG2-CD2 4.29Å; V82-F143 HydrophobicContact CG2-CG 4.44Å; I139-F143 HydrophobicContact CG2-CD2 3.64Å; I139-F143 HydrophobicContact CG2-CE2 3.67Å; I139-F143 VanDerWaalsContact O-CD2 3.29Å; I139-F143 WeakPolarHBondContact O-CD2 3.19Å; I139-F143 PolarHBondContact O-N 2.92Å; K140-F143 PolarHBondContact O-N 2.72Å; V141-F143 PolarHBondContact O-N 3.4Å; F143-Y154 HydrophobicContact CD2-CD2 4.34Å; F143-Y154 HydrophobicContact CG-CD2 4.38Å; F143-G156 WeakPolarHBondContact CZ-O 3Å; F143-F157 WeakPolarHBondContact CZ-O 3.36Å; F143-G160 VanDerWaalsContact CZ-CA 3.49Å; F143-I164 HydrophobicContact CD2-CD1 4.02Å; F143-I164 HydrophobicContact CE2-CD1 3.94Å
144I85.9Confident83Confident0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-72.6-46.2175.7-67.9169.2000110.1Y40 T43 Q44 R78 K140 V141 K142 D146 Q147Y40-I144 HydrophobicContact CD2-CG1 4.06Å; Y40-I144 HydrophobicContact CD2-CG2 3.88Å; Y40-I144 HydrophobicContact CE2-CG1 4.5Å; Y40-I144 HydrophobicContact CE2-CG2 3.87Å; T43-I144 HydrophobicContact CG2-CB 4.2Å; T43-I144 HydrophobicContact CG2-CD1 3.94Å; T43-I144 HydrophobicContact CG2-CG2 3.94Å; Q44-I144 VanDerWaalsContact CD-CG2 3.42Å; Q44-I144 HydrophobicContact CG-CG2 3.77Å; Q44-I144 PolarHBondContact NE2-O 2.93Å; R78-I144 VanDerWaalsContact O-CG1 3.29Å; R78-I144 WeakPolarHBondContact O-CG1 3.12Å; K140-I144 HydrophobicContact CD-CD1 4.48Å; K140-I144 HydrophobicContact CG-CD1 3.93Å; K140-I144 WeakPolarHBondContact O-CG1 3.22Å; K140-I144 PolarHBondContact O-N 2.78Å; V141-I144 PolarHBondContact O-N 2.98Å; K142-I144 VanDerWaalsContact C-N 3.31Å; K142-I144 PolarHBondContact O-N 3.42Å; I144-D146 VanDerWaalsContact C-N 3.31Å; I144-D146 PolarHBondContact O-N 3.17Å; I144-Q147 PolarHBondContact O-N 3.47Å
145N84Confident82.4Confident16 Ų1643.7 Ų43.79%0.08621%0.209CC..Hα-helixtrans-66.6-28.9179.3-157.734.3000113.5L47 V141 K142 Q147 T148 S149 L248L47-N145 HydrophobicContact CD1-CB 3.59Å; V141-N145 WeakPolarHBondContact O-CB 2.98Å; V141-N145 PolarHBondContact O-N 2.98Å; K142-N145 PolarHBondContact O-N 3.42Å; N145-Q147 PolarHBondContact O-N 2.67Å; N145-T148 PolarHBondContact O-N 3.48Å; N145-T148 PolarHBondContact O-OG1 2.78Å; N145-T148 PolarHBondContact OD1-OG1 2.92Å; N145-S149 PolarHBondContact O-N 3.49Å; N145-S149 PolarHBondContact O-OG 3.06Å; N145-S149 VanDerWaalsContact O-OG 3.07Å; N145-L248 HydrophobicContact CB-CD1 4.1Å; N145-L248 HydrophobicContact CB-CG 4.15Å; N145-L248 WeakPolarHBondContact ND2-CB 3.39Å; N145-L248 VanDerWaalsContact ND2-CG 3.35Å; N145-L248 WeakPolarHBondContact ND2-CG 3.47Å; N145-L248 PolarHBondContact ND2-N 3.48Å
146D85.4Confident82.1Confident3 Ų344.3 Ų44.32%0.01622%0.218CC..G310 helixtrans-62.8-26.5176.4-17661.6000111.9K142 I144 T148 S149 H153 Y154K142-D146 VanDerWaalsContact O-CB 3.26Å; K142-D146 WeakPolarHBondContact O-CB 3.25Å; K142-D146 PolarHBondContact O-N 2.92Å; I144-D146 VanDerWaalsContact C-N 3.31Å; I144-D146 PolarHBondContact O-N 3.17Å; D146-T148 VanDerWaalsContact C-N 3.35Å; D146-T148 PolarHBondContact O-N 2.89Å; D146-S149 WeakPolarHBondContact O-CB 3.48Å; D146-S149 PolarHBondContact O-N 2.98Å; D146-H153 PolarHBondContact OD1-N 2.89Å; D146-H153 PolarHBondContact OD2-N 3.34Å; D146-Y154 HydrophobicContact CB-CD2 3.58Å; D146-Y154 HydrophobicContact CB-CE2 3.89Å; D146-Y154 HydrophobicContact CB-CG 4.45Å; D146-Y154 WeakPolarHBondContact OD2-CB 3.48Å; D146-Y154 PolarHBondContact OD2-N 3.16Å
147Q81.1Confident81.7Confident17 Ų1746 Ų468%0.07923%0.225CC..G310 helixtrans-72.7-23.8175.8-82.3-171-18.300114.7Y40 Y71 G75 R78 I144 N145 S149Y40-Q147 VanDerWaalsContact CZ-OE1 3.23Å; Y40-Q147 PolarHBondContact OH-OE1 2.6Å; Y71-Q147 HydrophobicContact CE2-CB 4.19Å; Y71-Q147 HydrophobicContact CE2-CG 4.46Å; Y71-Q147 VanDerWaalsContact CE2-O 3.32Å; Y71-Q147 WeakPolarHBondContact CE2-O 3.35Å; Y71-Q147 PolarHBondContact OH-O 3.45Å; G75-Q147 PolarHBondContact O-NE2 2.98Å; G75-Q147 PolarHBondContact O-OE1 3.47Å; G75-Q147 VanDerWaalsContact O-OE1 3.09Å; R78-Q147 VanDerWaalsContact CB-CD 3.47Å; R78-Q147 HydrophobicContact CB-CG 4.32Å; R78-Q147 HydrophobicContact CG-CG 3.87Å; I144-Q147 PolarHBondContact O-N 3.47Å; N145-Q147 PolarHBondContact O-N 2.67Å; Q147-S149 VanDerWaalsContact C-N 3.32Å
148T74.6Confident81.4Confident29 Ų2952.4 Ų52.418%0.17825%0.253CS..G310 helixtrans-92-3.8174.7450000111.8Y57 N145 D146Y57-T148 HydrophobicContact CE2-CG2 4.02Å; Y57-T148 WeakPolarHBondContact OH-CG2 3.48Å; N145-T148 PolarHBondContact O-N 3.48Å; N145-T148 PolarHBondContact O-OG1 2.78Å; N145-T148 PolarHBondContact OD1-OG1 2.92Å; D146-T148 VanDerWaalsContact C-N 3.35Å; D146-T148 PolarHBondContact O-N 2.89Å
149S74.1Confident81.3Confident35 Ų3556.8 Ų56.825%0.24527%0.273CS..SBendtrans-76.3140.9176.5-62.10000110.1N145 D146 Q147 N151 L248N145-S149 PolarHBondContact O-N 3.49Å; N145-S149 PolarHBondContact O-OG 3.06Å; N145-S149 VanDerWaalsContact O-OG 3.07Å; D146-S149 WeakPolarHBondContact O-CB 3.48Å; D146-S149 PolarHBondContact O-N 2.98Å; Q147-S149 VanDerWaalsContact C-N 3.32Å; S149-N151 PolarHBondContact O-N 3.43Å; S149-N151 VanDerWaalsContact O-N 3.12Å; S149-L248 WeakPolarHBondContact OG-CD1 3.06Å
150K68.1Low81Confident205 Ų20555.9 Ų55.989%0.89127%0.269SS*.SBendtrans-54.3-34.8-179.1-66.9-178.2179.41790112.5
151N71.9Confident80.7Confident116 Ų11656.7 Ų56.762%0.6228%0.275SS*.SBendtrans-121.2103.8171.8-64.8-36.1000108.3S149 H153S149-N151 PolarHBondContact O-N 3.43Å; S149-N151 VanDerWaalsContact O-N 3.12Å; N151-H153 PolarHBondContact O-CE1 3.18Å; N151-H153 PolarHBondContact O-N 2.86Å; N151-H153 PolarHBondContact O-ND1 3.41Å
152P76.3Confident80.6Confident68 Ų6866 Ų6644%0.44231%0.309SS..  trans-68.7118.917225.3-31.6000109.8
153H76.7Confident80.5Confident111 Ų11167 Ų6751%0.51432%0.316SS..  trans-91.2-27.5-174.3-71.276.2000112.6D146 N151D146-H153 PolarHBondContact OD1-N 2.89Å; D146-H153 PolarHBondContact OD2-N 3.34Å; N151-H153 PolarHBondContact O-CE1 3.18Å; N151-H153 PolarHBondContact O-N 2.86Å; N151-H153 PolarHBondContact O-ND1 3.41Å
154Y80.6Confident80.3Confident10 Ų1066.7 Ų66.74%0.03932%0.315CS..  trans-86.7121.1-174.3-53.6-32.7000109.1R78 K142 F143 D146 C163 I164R78-Y154 VanDerWaalsContact NH2-C 3.31Å; R78-Y154 PolarHBondContact NH2-O 3.24Å; K142-Y154 HydrophobicContact CB-CE2 4.25Å; F143-Y154 HydrophobicContact CD2-CD2 4.34Å; F143-Y154 HydrophobicContact CG-CD2 4.38Å; D146-Y154 HydrophobicContact CB-CD2 3.58Å; D146-Y154 HydrophobicContact CB-CE2 3.89Å; D146-Y154 HydrophobicContact CB-CG 4.45Å; D146-Y154 WeakPolarHBondContact OD2-CB 3.48Å; D146-Y154 PolarHBondContact OD2-N 3.16Å; Y154-C163 HydrophobicContact CD1-CB 3.94Å; Y154-C163 HydrophobicContact CE1-CB 3.62Å; Y154-I164 HydrophobicContact CE1-CG1 4.17Å; Y154-I164 HydrophobicContact CE2-CD1 4.09Å; Y154-I164 HydrophobicContact CE2-CG1 4.07Å; Y154-I164 WeakPolarHBondContact OH-CG1 3.29Å
155R76Confident80.2Confident224 Ų22471.1 Ų71.185%0.84534%0.338SS*.  trans-91.8-37.7176.8-66.7-172.3179.1-143.50.9112.7
156G80.8Confident80.3Confident29 Ų2979.1 Ų79.130%0.29937%0.372SS..SBendtrans-146.3175.6178.500000112.5F143 G160F143-G156 WeakPolarHBondContact CZ-O 3Å; G156-G160 PolarHBondContact O-N 3.45Å
157F80.3Confident80.2Confident48 Ų4884.1 Ų84.121%0.21140%0.395CS..Hα-helixtrans-58.6-55.9-178176.2-107.7000112.1P81 V82 Y85 F143 H159 G160 C161P81-F157 HydrophobicContact CB-CB 4.35Å; P81-F157 HydrophobicContact CB-CD2 4.16Å; P81-F157 HydrophobicContact CB-CG 4.26Å; V82-F157 HydrophobicContact CB-CE2 4.05Å; V82-F157 HydrophobicContact CG1-CE2 4.34Å; V82-F157 HydrophobicContact CG2-CD2 3.79Å; V82-F157 HydrophobicContact CG2-CE2 3.67Å; Y85-F157 AromaticContact CD2-CD1 3.97Å; Y85-F157 HydrophobicContact CD2-CD1 3.97Å; Y85-F157 AromaticContact CD2-CE1 3.62Å; Y85-F157 HydrophobicContact CD2-CE1 3.62Å; Y85-F157 HydrophobicContact CD2-CE2 4.4Å; Y85-F157 HydrophobicContact CD2-CG 4.49Å; Y85-F157 AromaticContact CD2-CZ 3.86Å; Y85-F157 HydrophobicContact CD2-CZ 3.86Å; Y85-F157 HydrophobicContact CE2-CD1 4.04Å; Y85-F157 HydrophobicContact CE2-CE1 4.13Å; F143-F157 WeakPolarHBondContact CZ-O 3.36Å; F157-H159 PolarHBondContact O-N 2.91Å; F157-G160 PolarHBondContact O-N 3.01Å; F157-C161 WeakPolarHBondContact O-CB 3.24Å; F157-C161 PolarHBondContact O-N 3.38Å; F157-C161 PolarHBondContact O-SG 2.98Å
158F83.4Confident80.1Confident159 Ų15986.3 Ų86.370%0.69741%0.405SS*.Hα-helixtrans-64.2-40.9-179.1-63-72.6000113R162F158-R162 WeakPolarHBondContact O-CB 3.39Å; F158-R162 PolarHBondContact O-N 3.46Å
159H85.4Confident80.4Confident93 Ų9386.2 Ų86.243%0.43141%0.41SS..Hα-helixtrans-62.9-47.5176-177.9-84.8000111.4F157 R162 C163F157-H159 PolarHBondContact O-N 2.91Å; H159-R162 PolarHBondContact O-N 3.17Å; H159-C163 PolarHBondContact CE1-SG 2.95Å; H159-C163 WeakPolarHBondContact O-CB 3.33Å; H159-C163 PolarHBondContact O-N 2.98Å; H159-C163 PolarHBondContact O-SG 3.1Å; H159-C163 VanDerWaalsContact O-SG 3.33Å
160G82.8Confident80.7Confident0 Ų090.2 Ų90.20%043%0.427CS..Hα-helixtrans-66.5-40.2179.200000112.6F143 G156 F157 R162 C163 I164F143-G160 VanDerWaalsContact CZ-CA 3.49Å; G156-G160 PolarHBondContact O-N 3.45Å; F157-G160 PolarHBondContact O-N 3.01Å; G160-R162 VanDerWaalsContact C-N 3.34Å; G160-R162 PolarHBondContact O-N 3.29Å; G160-C163 PolarHBondContact O-N 2.99Å; G160-I164 WeakPolarHBondContact O-CB 3.5Å; G160-I164 WeakPolarHBondContact O-CD1 3.23Å; G160-I164 WeakPolarHBondContact O-CG1 3.28Å; G160-I164 PolarHBondContact O-N 3.44Å
161C83.8Confident81.1Confident20 Ų2085.9 Ų85.914%0.13542%0.418CS..Hα-helixtrans-58.1-46.3171.9-70.90000111.5F157 I164 I165F157-C161 WeakPolarHBondContact O-CB 3.24Å; F157-C161 PolarHBondContact O-N 3.38Å; F157-C161 PolarHBondContact O-SG 2.98Å; C161-I164 PolarHBondContact O-N 3.17Å; C161-I165 WeakPolarHBondContact O-CD1 3.44Å; C161-I165 VanDerWaalsContact O-CG1 3.27Å; C161-I165 WeakPolarHBondContact O-CG1 3.2Å; C161-I165 PolarHBondContact O-N 3.35Å
162R86.4Confident81.5Confident196 Ų19680.7 Ų80.774%0.7439%0.392SS*.Hα-helixtrans-62.1-44.4176.5-176.3178.7177133.9-0.6112.1F158 H159 G160 I165 K166F158-R162 WeakPolarHBondContact O-CB 3.39Å; F158-R162 PolarHBondContact O-N 3.46Å; H159-R162 PolarHBondContact O-N 3.17Å; G160-R162 VanDerWaalsContact C-N 3.34Å; G160-R162 PolarHBondContact O-N 3.29Å; R162-I165 PolarHBondContact O-N 3.42Å; R162-K166 WeakPolarHBondContact O-CB 3.48Å; R162-K166 PolarHBondContact O-N 3.3Å
163C84.5Confident81.7Confident22 Ų2278.9 Ų78.915%0.14938%0.378CS..Hα-helixtrans-61.8-46.4176.5-740000111.7Y154 H159 G160 I165 K166 E167Y154-C163 HydrophobicContact CD1-CB 3.94Å; Y154-C163 HydrophobicContact CE1-CB 3.62Å; H159-C163 PolarHBondContact CE1-SG 2.95Å; H159-C163 WeakPolarHBondContact O-CB 3.33Å; H159-C163 PolarHBondContact O-N 2.98Å; H159-C163 PolarHBondContact O-SG 3.1Å; H159-C163 VanDerWaalsContact O-SG 3.33Å; G160-C163 PolarHBondContact O-N 2.99Å; C163-I165 VanDerWaalsContact C-N 3.33Å; C163-I165 PolarHBondContact O-N 3.5Å; C163-K166 PolarHBondContact O-N 2.89Å; C163-K166 VanDerWaalsContact O-N 3.14Å; C163-E167 VanDerWaalsContact O-CB 3.3Å; C163-E167 WeakPolarHBondContact O-CB 3.27Å; C163-E167 WeakPolarHBondContact O-CG 3.41Å; C163-E167 PolarHBondContact O-N 3.38Å
164I84.3Confident82Confident0 Ų077.7 Ų77.70%037%0.37CS..Hα-helixtrans-59.7-45.2179.1-69.6164.6000110.8I139 K142 F143 Y154 G160 C161 K166 H168 M173I139-I164 HydrophobicContact CB-CD1 4.39Å; I139-I164 HydrophobicContact CG1-CD1 4.26Å; I139-I164 HydrophobicContact CG2-CD1 4.08Å; K142-I164 HydrophobicContact CB-CD1 3.94Å; K142-I164 HydrophobicContact CD-CD1 4.11Å; K142-I164 HydrophobicContact CD-CG1 4.02Å; K142-I164 HydrophobicContact CD-CG2 3.98Å; F143-I164 HydrophobicContact CD2-CD1 4.02Å; F143-I164 HydrophobicContact CE2-CD1 3.94Å; Y154-I164 HydrophobicContact CE1-CG1 4.17Å; Y154-I164 HydrophobicContact CE2-CD1 4.09Å; Y154-I164 HydrophobicContact CE2-CG1 4.07Å; Y154-I164 WeakPolarHBondContact OH-CG1 3.29Å; G160-I164 WeakPolarHBondContact O-CB 3.5Å; G160-I164 WeakPolarHBondContact O-CD1 3.23Å; G160-I164 WeakPolarHBondContact O-CG1 3.28Å; G160-I164 PolarHBondContact O-N 3.44Å; C161-I164 PolarHBondContact O-N 3.17Å; I164-K166 VanDerWaalsContact C-N 3.33Å; I164-K166 PolarHBondContact O-N 2.59Å; I164-H168 WeakPolarHBondContact O-CB 3.48Å; I164-H168 PolarHBondContact O-N 3.34Å; I164-M173 HydrophobicContact CG2-CG 4.44Å
165I83.8Confident81.9Confident93 Ų9380.3 Ų80.348%0.47738%0.381SS..Hα-helixtrans-63-42.4177.7-67.2165.3000110.5C161 R162 C163 G169 M173C161-I165 WeakPolarHBondContact O-CD1 3.44Å; C161-I165 VanDerWaalsContact O-CG1 3.27Å; C161-I165 WeakPolarHBondContact O-CG1 3.2Å; C161-I165 PolarHBondContact O-N 3.35Å; R162-I165 PolarHBondContact O-N 3.42Å; C163-I165 VanDerWaalsContact C-N 3.33Å; C163-I165 PolarHBondContact O-N 3.5Å; I165-G169 WeakPolarHBondContact O-CA 3.43Å; I165-G169 PolarHBondContact O-N 2.91Å; I165-G169 VanDerWaalsContact O-N 3.09Å; I165-M173 HydrophobicContact CG1-SD 3.9Å
166K85.3Confident82.2Confident184 Ų18469.8 Ų69.880%0.834%0.342SS*.Hα-helixtrans-69.5-40-179.4-171.2179.7177.8-173.40113R162 C163 I164R162-K166 WeakPolarHBondContact O-CB 3.48Å; R162-K166 PolarHBondContact O-N 3.3Å; C163-K166 PolarHBondContact O-N 2.89Å; C163-K166 VanDerWaalsContact O-N 3.14Å; I164-K166 VanDerWaalsContact C-N 3.33Å; I164-K166 PolarHBondContact O-N 2.59Å
167E83.4Confident82.5Confident108 Ų10870.1 Ų70.151%0.50534%0.338SS..Hα-helixtrans-86.1-41-173.4-71.7165.2-170.400113C163C163-E167 VanDerWaalsContact O-CB 3.3Å; C163-E167 WeakPolarHBondContact O-CB 3.27Å; C163-E167 WeakPolarHBondContact O-CG 3.41Å; C163-E167 PolarHBondContact O-N 3.38Å
168H79.3Confident82.9Confident63 Ų6371.3 Ų71.329%0.29235%0.35SS..Hα-helixtrans-108.2-11.7-172.5-63.782.5000113.3K142 I164 G172K142-H168 PolarHBondContact NZ-CD2 3.34Å; K142-H168 PolarHBondContact NZ-ND1 3.35Å; K142-H168 PolarHBondContact NZ-NE2 3.38Å; I164-H168 WeakPolarHBondContact O-CB 3.48Å; I164-H168 PolarHBondContact O-N 3.34Å; H168-G172 WeakPolarHBondContact O-CA 3.38Å; H168-G172 PolarHBondContact O-N 3.37Å
169G82Confident83Confident27 Ų2763.7 Ų63.728%0.27832%0.317SS..Hα-helixtrans62.5-173.8-17600000113.6I165 G172 M173I165-G169 WeakPolarHBondContact O-CA 3.43Å; I165-G169 PolarHBondContact O-N 2.91Å; I165-G169 VanDerWaalsContact O-N 3.09Å; G169-G172 PolarHBondContact O-N 3.12Å; G169-M173 PolarHBondContact O-N 3.39Å
170I79.2Confident83.1Confident119 Ų11959.3 Ų59.361%0.6130%0.296SS*.Hα-helixtrans-65.5-41.9177.5-59.8175.5000110G172 M173 Y174I170-G172 VanDerWaalsContact C-N 3.26Å; I170-G172 PolarHBondContact O-N 3.5Å; I170-M173 WeakPolarHBondContact O-CA 3.45Å; I170-M173 WeakPolarHBondContact O-CB 3.44Å; I170-M173 PolarHBondContact O-N 3.28Å; I170-Y174 HydrophobicContact CG2-CD2 3.78Å; I170-Y174 HydrophobicContact CG2-CE2 3.55Å; I170-Y174 VanDerWaalsContact O-CD2 3.31Å; I170-Y174 WeakPolarHBondContact O-CD2 2.89Å; I170-Y174 PolarHBondContact O-N 2.95Å
171T78Confident83.3Confident114 Ų11461.8 Ų61.870%0.69931%0.309SS*.Hα-helixtrans-57.1-40.4178.2-470000112.1M173 Y174 K175T171-M173 PolarHBondContact O-N 3.09Å; T171-Y174 PolarHBondContact O-N 2.93Å; T171-K175 PolarHBondContact O-N 3.39Å
172G78.2Confident83.6Confident7 Ų764.7 Ų64.77%0.07232%0.323CS..Hα-helixtrans-67.7-21.7176.400000114.3T138 H168 G169 I170T138-G172 WeakPolarHBondContact CG2-O 3.39Å; H168-G172 WeakPolarHBondContact O-CA 3.38Å; H168-G172 PolarHBondContact O-N 3.37Å; G169-G172 PolarHBondContact O-N 3.12Å; I170-G172 VanDerWaalsContact C-N 3.26Å; I170-G172 PolarHBondContact O-N 3.5Å
173M80.7Confident83.5Confident30 Ų3056.5 Ų56.515%0.14829%0.292CS..Hα-helixtrans-78.1-31.3173.3-67179.253.900112.3P135 T138 I139 I164 I165 G169 I170 T171P135-M173 HydrophobicContact CB-CB 4.36Å; P135-M173 HydrophobicContact CB-CE 3.29Å; T138-M173 PolarHBondContact OG1-O 3.01Å; I139-M173 HydrophobicContact CD1-CE 4.06Å; I164-M173 HydrophobicContact CG2-CG 4.44Å; I165-M173 HydrophobicContact CG1-SD 3.9Å; G169-M173 PolarHBondContact O-N 3.39Å; I170-M173 WeakPolarHBondContact O-CA 3.45Å; I170-M173 WeakPolarHBondContact O-CB 3.44Å; I170-M173 PolarHBondContact O-N 3.28Å; T171-M173 PolarHBondContact O-N 3.09Å
174Y84.4Confident83.5Confident86 Ų8657.5 Ų57.534%0.33730%0.295SS..Hα-helixtrans-87.2-3.8177.6-74.1-81.6000114.1I130 I170 T171 G176 V177I130-Y174 HydrophobicContact CG2-CE1 4.04Å; I130-Y174 VanDerWaalsContact O-CE1 3.31Å; I130-Y174 WeakPolarHBondContact O-CE1 3.34Å; I170-Y174 HydrophobicContact CG2-CD2 3.78Å; I170-Y174 HydrophobicContact CG2-CE2 3.55Å; I170-Y174 VanDerWaalsContact O-CD2 3.31Å; I170-Y174 WeakPolarHBondContact O-CD2 2.89Å; I170-Y174 PolarHBondContact O-N 2.95Å; T171-Y174 PolarHBondContact O-N 2.93Å; Y174-G176 PolarHBondContact O-N 3.19Å; Y174-V177 WeakPolarHBondContact O-CB 3.19Å; Y174-V177 WeakPolarHBondContact O-CG1 3.01Å; Y174-V177 PolarHBondContact O-N 2.94Å
175K78.8Confident83.6Confident64 Ų6458.8 Ų58.828%0.27831%0.309SS..THydrogen-bonded Turntrans-60.5122.7169.9-74.4-164.3172.2-167.20109.5T171 M245 Q246 A250T171-K175 PolarHBondContact O-N 3.39Å; K175-M245 WeakPolarHBondContact CB-O 3.39Å; K175-Q246 WeakPolarHBondContact O-CG 3.26Å; K175-A250 HydrophobicContact CD-CB 3.92Å; K175-A250 PolarHBondContact NZ-O 3.28Å
176G82.5Confident83.9Confident3 Ų356.4 Ų56.43%0.03130%0.3CS..THydrogen-bonded Turntrans93.38.3-173.600000114.8Y174 T178 P179 T180Y174-G176 PolarHBondContact O-N 3.19Å; G176-T178 PolarHBondContact O-N 3.5Å; G176-P179 VanDerWaalsContact C-CD 3.46Å; G176-P179 VanDerWaalsContact O-CD 3.25Å; G176-P179 WeakPolarHBondContact O-CD 3.4Å; G176-P179 VanDerWaalsContact O-CG 3.27Å; G176-P179 WeakPolarHBondContact O-CG 3.33Å; G176-T180 VanDerWaalsContact O-CB 3.3Å; G176-T180 WeakPolarHBondContact O-CB 3.29Å; G176-T180 PolarHBondContact O-N 3.34Å; G176-T180 PolarHBondContact O-OG1 3.21Å
177V86.6Confident83.9Confident36 Ų3649 Ų4922%0.21827%0.269CS..Hα-helixtrans-59-46.1173.467.40000111.8I130 T134 Y174 T180 I181I130-V177 HydrophobicContact CG1-CG2 4.06Å; T134-V177 HydrophobicContact CG2-CB 3.94Å; T134-V177 HydrophobicContact CG2-CG2 4.46Å; Y174-V177 WeakPolarHBondContact O-CB 3.19Å; Y174-V177 WeakPolarHBondContact O-CG1 3.01Å; Y174-V177 PolarHBondContact O-N 2.94Å; V177-T180 WeakPolarHBondContact O-CB 3.03Å; V177-T180 PolarHBondContact O-N 3.01Å; V177-T180 VanDerWaalsContact O-N 3.14Å; V177-I181 HydrophobicContact CG2-CD1 3.91Å; V177-I181 HydrophobicContact CG2-CG1 4.4Å; V177-I181 WeakPolarHBondContact O-CG1 3.41Å; V177-I181 PolarHBondContact O-N 3.3Å
178T87.2Confident84Confident73 Ų7347 Ų4745%0.44826%0.26SS..Hα-helixtrans-59.6-54179.2-48.60000112.6G176 T180 I181 L182 T256G176-T178 PolarHBondContact O-N 3.5Å; T178-T180 PolarHBondContact O-N 3.4Å; T178-I181 PolarHBondContact O-N 3.49Å; T178-L182 HydrophobicContact CG2-CD1 4.12Å; T178-L182 HydrophobicContact CG2-CG 4.49Å; T178-L182 WeakPolarHBondContact O-CB 3.24Å; T178-L182 WeakPolarHBondContact O-CG 3.47Å; T178-L182 PolarHBondContact O-N 2.87Å; T178-T256 WeakPolarHBondContact CB-OG1 3.19Å
179P86.9Confident84.4Confident0 Ų046.8 Ų46.80%027%0.269CS..Hα-helixtrans-65.7-25.1176.727.7-36.1000112.2G176 K183 V241 K242 M245 T256G176-P179 VanDerWaalsContact C-CD 3.46Å; G176-P179 VanDerWaalsContact O-CD 3.25Å; G176-P179 WeakPolarHBondContact O-CD 3.4Å; G176-P179 VanDerWaalsContact O-CG 3.27Å; G176-P179 WeakPolarHBondContact O-CG 3.33Å; P179-K183 WeakPolarHBondContact O-CB 3.37Å; P179-K183 PolarHBondContact O-N 3.22Å; P179-V241 HydrophobicContact CB-CG1 4.3Å; P179-K242 HydrophobicContact CB-CB 3.98Å; P179-K242 HydrophobicContact CG-CB 4.15Å; P179-M245 HydrophobicContact CG-SD 3.94Å; P179-T256 HydrophobicContact CB-CG2 4.04Å; P179-T256 HydrophobicContact CG-CG2 4.14Å
180T86.6Confident84.8Confident0 Ų047.5 Ų47.50%027%0.266CS..Hα-helixtrans-68-45.7172.7-60.40000111.9A129 V133 G176 V177 T178 K183 Q184 K242A129-T180 HydrophobicContact CB-CG2 4.18Å; V133-T180 HydrophobicContact CB-CG2 4.47Å; V133-T180 HydrophobicContact CG1-CG2 3.94Å; G176-T180 VanDerWaalsContact O-CB 3.3Å; G176-T180 WeakPolarHBondContact O-CB 3.29Å; G176-T180 PolarHBondContact O-N 3.34Å; G176-T180 PolarHBondContact O-OG1 3.21Å; V177-T180 WeakPolarHBondContact O-CB 3.03Å; V177-T180 PolarHBondContact O-N 3.01Å; V177-T180 VanDerWaalsContact O-N 3.14Å; T178-T180 PolarHBondContact O-N 3.4Å; T180-K183 PolarHBondContact O-N 2.98Å; T180-Q184 WeakPolarHBondContact O-CG 3.49Å; T180-Q184 PolarHBondContact O-N 2.87Å; T180-K242 WeakPolarHBondContact OG1-CD 3.48Å; T180-K242 WeakPolarHBondContact OG1-CE 3.42Å
181I88.1Confident85.2Confident53 Ų5347.4 Ų47.427%0.27226%0.258SS..Hα-helixtrans-63.2-48.3175.5-69.2168.4000110.3V126 A129 I130 V177 T178 K183 Q184 G185V126-I181 HydrophobicContact CG2-CG2 4.25Å; A129-I181 HydrophobicContact CB-CG1 4.13Å; I130-I181 HydrophobicContact CD1-CD1 4.23Å; I130-I181 HydrophobicContact CG1-CD1 4.01Å; V177-I181 HydrophobicContact CG2-CD1 3.91Å; V177-I181 HydrophobicContact CG2-CG1 4.4Å; V177-I181 WeakPolarHBondContact O-CG1 3.41Å; V177-I181 PolarHBondContact O-N 3.3Å; T178-I181 PolarHBondContact O-N 3.49Å; I181-K183 VanDerWaalsContact C-N 3.32Å; I181-K183 PolarHBondContact O-N 3.21Å; I181-Q184 PolarHBondContact O-N 3.41Å; I181-G185 PolarHBondContact O-N 2.84Å
182L88.7Confident85.6Confident81 Ų8147 Ų4742%0.42425%0.247SC..Hα-helixtrans-58.1-46.2177.4-71.3174.3000110.9T178 Q184 G185 S186 L238T178-L182 HydrophobicContact CG2-CD1 4.12Å; T178-L182 HydrophobicContact CG2-CG 4.49Å; T178-L182 WeakPolarHBondContact O-CB 3.24Å; T178-L182 WeakPolarHBondContact O-CG 3.47Å; T178-L182 PolarHBondContact O-N 2.87Å; L182-Q184 PolarHBondContact O-N 3.31Å; L182-G185 PolarHBondContact O-N 2.67Å; L182-S186 WeakPolarHBondContact O-CB 3.5Å; L182-S186 PolarHBondContact O-N 2.94Å; L182-S186 PolarHBondContact O-OG 3.16Å; L182-S186 VanDerWaalsContact O-OG 3.06Å; L182-L238 HydrophobicContact CB-CD1 4.17Å; L182-L238 HydrophobicContact CB-CD2 3.99Å; L182-L238 HydrophobicContact CD1-CD2 4.2Å
183K85.7Confident86.1Confident23 Ų2353.6 Ų53.610%0.127%0.273CS..Hα-helixtrans-57.7-47.4175.9-179.9-162.3177.2152.20111.7P179 T180 I181 N187 L238 D239 K242P179-K183 WeakPolarHBondContact O-CB 3.37Å; P179-K183 PolarHBondContact O-N 3.22Å; T180-K183 PolarHBondContact O-N 2.98Å; I181-K183 VanDerWaalsContact C-N 3.32Å; I181-K183 PolarHBondContact O-N 3.21Å; K183-N187 WeakPolarHBondContact O-CB 3.5Å; K183-N187 PolarHBondContact O-N 2.62Å; K183-L238 HydrophobicContact CB-CB 4.44Å; K183-D239 WeakPolarHBondContact CD-OD1 3.31Å; K183-D239 WeakPolarHBondContact CE-OD1 3.31Å; K183-D239 VanDerWaalsContact NZ-CG 3.31Å; K183-D239 IonicContact NZ-OD1 2.92Å; K183-D239 PolarHBondContact NZ-OD1 2.89Å; K183-D239 IonicContact NZ-OD2 2.85Å; K183-D239 PolarHBondContact NZ-OD2 2.84Å; K183-K242 HydrophobicContact CD-CD 4.31Å
184Q83.3Confident86.6Confident43 Ų4353.3 Ų53.320%0.20127%0.273CS..Hα-helixtrans-63.1-46.3-179.9-70-68.3-12.600111T180 I181 L182 N187 Q188T180-Q184 WeakPolarHBondContact O-CG 3.49Å; T180-Q184 PolarHBondContact O-N 2.87Å; I181-Q184 PolarHBondContact O-N 3.41Å; L182-Q184 PolarHBondContact O-N 3.31Å; Q184-N187 PolarHBondContact O-N 2.99Å; Q184-Q188 VanDerWaalsContact O-CG 3.3Å; Q184-Q188 WeakPolarHBondContact O-CG 3.03Å; Q184-Q188 PolarHBondContact O-N 2.96Å; Q184-Q188 VanDerWaalsContact O-N 3.07Å
185G86.8Confident86.8Confident28 Ų2850.8 Ų50.829%0.28927%0.265SS..Hα-helixtrans-61.4-52.7177.200000112.5I181 L182 N187 Q188 A189I181-G185 PolarHBondContact O-N 2.84Å; L182-G185 PolarHBondContact O-N 2.67Å; G185-N187 VanDerWaalsContact C-N 3.35Å; G185-N187 PolarHBondContact O-N 2.97Å; G185-Q188 PolarHBondContact O-N 2.87Å; G185-A189 WeakPolarHBondContact O-CB 3.48Å; G185-A189 PolarHBondContact O-N 2.8Å
186S89.3Confident87.2Confident42 Ų4250.4 Ų50.429%0.29426%0.264SS..Hα-helixtrans-62.9-38178.9-65.30000112.3L182 A189 I190 N235L182-S186 WeakPolarHBondContact O-CB 3.5Å; L182-S186 PolarHBondContact O-N 2.94Å; L182-S186 PolarHBondContact O-OG 3.16Å; L182-S186 VanDerWaalsContact O-OG 3.06Å; S186-A189 PolarHBondContact O-N 2.89Å; S186-I190 WeakPolarHBondContact O-CB 3.5Å; S186-I190 WeakPolarHBondContact O-CD1 3.41Å; S186-I190 VanDerWaalsContact O-CG1 3.22Å; S186-I190 WeakPolarHBondContact O-CG1 3.24Å; S186-I190 PolarHBondContact O-N 2.91Å; S186-N235 WeakPolarHBondContact CB-OD1 3.45Å
187N86.9Confident87.5Confident28 Ų2853.7 Ų53.715%0.1528%0.284CS..Hα-helixtrans-62.9-44.4174.8-174.479000112.1K183 Q184 G185 R191 N235K183-N187 WeakPolarHBondContact O-CB 3.5Å; K183-N187 PolarHBondContact O-N 2.62Å; Q184-N187 PolarHBondContact O-N 2.99Å; G185-N187 VanDerWaalsContact C-N 3.35Å; G185-N187 PolarHBondContact O-N 2.97Å; N187-R191 WeakPolarHBondContact O-CB 3.36Å; N187-R191 WeakPolarHBondContact O-CG 3.5Å; N187-R191 PolarHBondContact O-N 3.41Å; N187-R191 VanDerWaalsContact O-N 3.15Å; N187-N235 VanDerWaalsContact CA-ND2 3.32Å; N187-N235 WeakPolarHBondContact CA-ND2 3.46Å; N187-N235 PolarHBondContact N-OD1 2.87Å
188Q84.5Confident87.6Confident67 Ų6754.4 Ų54.431%0.31329%0.286SS..Hα-helixtrans-67.6-42.4176.3-65.7-63.987.400111.6L122 Q184 G185 F192L122-Q188 HydrophobicContact CD2-CB 4.25Å; Q184-Q188 VanDerWaalsContact O-CG 3.3Å; Q184-Q188 WeakPolarHBondContact O-CG 3.03Å; Q184-Q188 PolarHBondContact O-N 2.96Å; Q184-Q188 VanDerWaalsContact O-N 3.07Å; G185-Q188 PolarHBondContact O-N 2.87Å; Q188-F192 WeakPolarHBondContact O-CB 3.36Å; Q188-F192 PolarHBondContact O-N 3.07Å
189A88.3Confident87.6Confident59 Ų5953 Ų5349%0.48827%0.274SS..Hα-helixtrans-63-49.8179.600000112.3G185 S186 F192 F193G185-A189 WeakPolarHBondContact O-CB 3.48Å; G185-A189 PolarHBondContact O-N 2.8Å; S186-A189 PolarHBondContact O-N 2.89Å; A189-F192 PolarHBondContact O-N 3.06Å; A189-F193 WeakPolarHBondContact O-CB 3.11Å; A189-F193 PolarHBondContact O-N 3.33Å
190I90.4Very high87.5Confident41 Ų4156.2 Ų56.221%0.2129%0.291CS..Hα-helixtrans-63.9-45.9-179.8-65.9162.5000110.5S186 F192 F193 V194 A230S186-I190 WeakPolarHBondContact O-CB 3.5Å; S186-I190 WeakPolarHBondContact O-CD1 3.41Å; S186-I190 VanDerWaalsContact O-CG1 3.22Å; S186-I190 WeakPolarHBondContact O-CG1 3.24Å; S186-I190 PolarHBondContact O-N 2.91Å; I190-F192 VanDerWaalsContact C-N 3.35Å; I190-F192 PolarHBondContact O-N 2.96Å; I190-F193 PolarHBondContact O-N 3.26Å; I190-V194 HydrophobicContact CG2-CG2 4.15Å; I190-V194 WeakPolarHBondContact O-CB 3.05Å; I190-V194 VanDerWaalsContact O-CG2 3.26Å; I190-V194 WeakPolarHBondContact O-CG2 3.48Å; I190-V194 PolarHBondContact O-N 3.43Å; I190-A230 HydrophobicContact CG2-CB 4.17Å
191R86.5Confident87.6Confident117 Ų11758 Ų5844%0.44231%0.309SS..Hα-helixtrans-62.9-44179.8-71.7178.973.9-179.99.1111.3N187 M195N187-R191 WeakPolarHBondContact O-CB 3.36Å; N187-R191 WeakPolarHBondContact O-CG 3.5Å; N187-R191 PolarHBondContact O-N 3.41Å; N187-R191 VanDerWaalsContact O-N 3.15Å; R191-M195 WeakPolarHBondContact O-CB 3.49Å; R191-M195 WeakPolarHBondContact O-CG 3.21Å; R191-M195 PolarHBondContact O-N 3.37Å
192F86.7Confident87.4Confident107 Ų10758.9 Ų58.947%0.46931%0.31SS..Hα-helixtrans-65-49.3178.2-174.7-99.2000111.3Q188 A189 I190 V194 M195 E196Q188-F192 WeakPolarHBondContact O-CB 3.36Å; Q188-F192 PolarHBondContact O-N 3.07Å; A189-F192 PolarHBondContact O-N 3.06Å; I190-F192 VanDerWaalsContact C-N 3.35Å; I190-F192 PolarHBondContact O-N 2.96Å; F192-V194 PolarHBondContact O-N 2.9Å; F192-M195 PolarHBondContact O-N 2.82Å; F192-E196 HydrophobicContact CD1-CG 4.2Å; F192-E196 HydrophobicContact CD2-CG 4.33Å; F192-E196 HydrophobicContact CE1-CG 3.78Å; F192-E196 HydrophobicContact CE2-CG 3.91Å; F192-E196 HydrophobicContact CG-CG 4.46Å; F192-E196 HydrophobicContact CZ-CG 3.61Å; F192-E196 WeakPolarHBondContact O-CG 3.19Å; F192-E196 PolarHBondContact O-N 2.92Å
193F89.6Confident87Confident144 Ų14456.5 Ų56.563%0.63230%0.295SS*.Hα-helixtrans-56.6-53.9178.9179.6-100.8000111.7A189 I190 M195 E196 T197A189-F193 WeakPolarHBondContact O-CB 3.11Å; A189-F193 PolarHBondContact O-N 3.33Å; I190-F193 PolarHBondContact O-N 3.26Å; F193-M195 VanDerWaalsContact C-N 3.32Å; F193-M195 PolarHBondContact O-N 3.43Å; F193-E196 PolarHBondContact O-N 2.93Å; F193-T197 WeakPolarHBondContact O-CB 3.01Å; F193-T197 PolarHBondContact O-N 3.49Å; F193-T197 PolarHBondContact O-OG1 3.09Å
194V91.1Very high86.9Confident24 Ų2463 Ų6315%0.14533%0.326CS..Hα-helixtrans-63.4-39.4-179.2177.30000111.3I190 F192 L198 V226 A227 A230I190-V194 HydrophobicContact CG2-CG2 4.15Å; I190-V194 WeakPolarHBondContact O-CB 3.05Å; I190-V194 VanDerWaalsContact O-CG2 3.26Å; I190-V194 WeakPolarHBondContact O-CG2 3.48Å; I190-V194 PolarHBondContact O-N 3.43Å; F192-V194 PolarHBondContact O-N 2.9Å; V194-L198 HydrophobicContact CG1-CD1 3.7Å; V194-L198 HydrophobicContact CG1-CG 4.25Å; V194-L198 WeakPolarHBondContact O-CB 3.37Å; V194-L198 VanDerWaalsContact O-CG 3.22Å; V194-L198 WeakPolarHBondContact O-CG 3.3Å; V194-L198 PolarHBondContact O-N 3.06Å; V194-V226 HydrophobicContact CG1-CG1 4.27Å; V194-A227 HydrophobicContact CB-CB 3.92Å; V194-A227 HydrophobicContact CG1-CB 3.79Å; V194-A230 HydrophobicContact CG2-CB 3.96Å
195M88.5Confident86.8Confident33 Ų3370.7 Ų70.716%0.16335%0.354CS..Hα-helixtrans-64.8-44.2177.3-76.6-63.8-70.200112.7R191 F192 F193 K199 T220 F223 G224 A227R191-M195 WeakPolarHBondContact O-CB 3.49Å; R191-M195 WeakPolarHBondContact O-CG 3.21Å; R191-M195 PolarHBondContact O-N 3.37Å; F192-M195 PolarHBondContact O-N 2.82Å; F193-M195 VanDerWaalsContact C-N 3.32Å; F193-M195 PolarHBondContact O-N 3.43Å; M195-K199 WeakPolarHBondContact O-CB 3.45Å; M195-K199 WeakPolarHBondContact O-CG 3.01Å; M195-K199 PolarHBondContact O-N 3.43Å; M195-T220 HydrophobicContact CE-CG2 3.84Å; M195-F223 HydrophobicContact CE-CB 4.26Å; M195-F223 HydrophobicContact SD-CB 3.74Å; M195-G224 PolarHBondContact SD-N 3.18Å; M195-G224 VanDerWaalsContact SD-N 3.43Å; M195-A227 HydrophobicContact CG-CB 3.85Å; M195-A227 HydrophobicContact SD-CB 4.02Å
196E86.7Confident86.5Confident56 Ų5676.3 Ų76.326%0.26237%0.367SS..Hα-helixtrans-69.1-44.7178.5-68.4-55.8123.400110.8F192 F193 L198 K199 D200F192-E196 HydrophobicContact CD1-CG 4.2Å; F192-E196 HydrophobicContact CD2-CG 4.33Å; F192-E196 HydrophobicContact CE1-CG 3.78Å; F192-E196 HydrophobicContact CE2-CG 3.91Å; F192-E196 HydrophobicContact CG-CG 4.46Å; F192-E196 HydrophobicContact CZ-CG 3.61Å; F192-E196 WeakPolarHBondContact O-CG 3.19Å; F192-E196 PolarHBondContact O-N 2.92Å; F193-E196 PolarHBondContact O-N 2.93Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.03Å; E196-K199 PolarHBondContact O-N 3.11Å; E196-K199 IonicContact OE1-NZ 2.66Å; E196-D200 VanDerWaalsContact O-CB 3.3Å; E196-D200 WeakPolarHBondContact O-CB 3.4Å; E196-D200 VanDerWaalsContact O-CG 3.27Å; E196-D200 PolarHBondContact O-N 2.89Å
197T89.6Confident85.8Confident73 Ų7377.1 Ų77.145%0.44838%0.382SS..Hα-helixtrans-58.2-43.8176.6-56.80000112.5F193 G201F193-T197 WeakPolarHBondContact O-CB 3.01Å; F193-T197 PolarHBondContact O-N 3.49Å; F193-T197 PolarHBondContact O-OG1 3.09Å; T197-G201 PolarHBondContact O-N 2.96Å
198L88.9Confident85.1Confident51 Ų5178 Ų7827%0.26739%0.387SS..Hα-helixtrans-70-40.1179.2-70.8173000112.4V194 E196 Y202 F223 V226V194-L198 HydrophobicContact CG1-CD1 3.7Å; V194-L198 HydrophobicContact CG1-CG 4.25Å; V194-L198 WeakPolarHBondContact O-CB 3.37Å; V194-L198 VanDerWaalsContact O-CG 3.22Å; V194-L198 WeakPolarHBondContact O-CG 3.3Å; V194-L198 PolarHBondContact O-N 3.06Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.03Å; L198-Y202 WeakPolarHBondContact O-CB 3.44Å; L198-Y202 PolarHBondContact O-N 3.41Å; L198-F223 HydrophobicContact CB-CB 4.16Å; L198-F223 HydrophobicContact CB-CD1 3.78Å; L198-F223 HydrophobicContact CB-CD2 3.83Å; L198-F223 HydrophobicContact CB-CE1 4.05Å; L198-F223 HydrophobicContact CB-CE2 4.09Å; L198-F223 HydrophobicContact CB-CG 3.66Å; L198-F223 HydrophobicContact CB-CZ 4.19Å; L198-F223 HydrophobicContact CD1-CB 3.82Å; L198-F223 HydrophobicContact CD1-CD1 3.8Å; L198-F223 HydrophobicContact CD1-CG 3.96Å; L198-F223 HydrophobicContact CD2-CD1 4.45Å; L198-F223 HydrophobicContact CG-CD1 4.23Å; L198-F223 HydrophobicContact CG-CG 4.41Å; L198-F223 WeakPolarHBondContact O-CE2 3.25Å; L198-V226 HydrophobicContact CD1-CB 3.99Å; L198-V226 HydrophobicContact CD1-CG1 3.93Å
199K86Confident84.2Confident42 Ų4284.9 Ų84.918%0.18342%0.416CS..Hα-helixtrans-65-44.5175.7-75.9175-179.2169.60111.5M195 E196 Y202 R203 V215 F223M195-K199 WeakPolarHBondContact O-CB 3.45Å; M195-K199 WeakPolarHBondContact O-CG 3.01Å; M195-K199 PolarHBondContact O-N 3.43Å; E196-K199 PolarHBondContact O-N 3.11Å; E196-K199 IonicContact OE1-NZ 2.66Å; K199-Y202 PolarHBondContact O-N 3.23Å; K199-R203 WeakPolarHBondContact O-CB 3.45Å; K199-R203 WeakPolarHBondContact O-CD 3.44Å; K199-R203 WeakPolarHBondContact O-CG 3.26Å; K199-R203 PolarHBondContact O-N 2.92Å; K199-V215 HydrophobicContact CB-CG2 4.44Å; K199-V215 HydrophobicContact CG-CG2 4.16Å; K199-F223 HydrophobicContact CG-CD2 4.11Å; K199-F223 HydrophobicContact CG-CE2 4.41Å
200D86.2Confident82.9Confident68 Ų6884.7 Ų84.736%0.36441%0.414SS..Hα-helixtrans-68.8-40-179.4-69.8-15.9000111.1E196 Y202 R203 Q204E196-D200 VanDerWaalsContact O-CB 3.3Å; E196-D200 WeakPolarHBondContact O-CB 3.4Å; E196-D200 VanDerWaalsContact O-CG 3.27Å; E196-D200 PolarHBondContact O-N 2.89Å; D200-Y202 VanDerWaalsContact C-N 3.34Å; D200-Y202 PolarHBondContact O-N 2.92Å; D200-R203 PolarHBondContact O-N 2.82Å; D200-R203 IonicContact OD1-CZ 2.81Å; D200-R203 IonicContact OD1-NH1 3.27Å; D200-R203 PolarHBondContact OD1-NH1 3.45Å; D200-Q204 VanDerWaalsContact O-CB 3.31Å; D200-Q204 WeakPolarHBondContact O-CB 3.48Å; D200-Q204 PolarHBondContact O-N 2.98Å
201G87Confident81.5Confident37 Ų3789.2 Ų89.238%0.38144%0.444SS..Hα-helixtrans-59.1-42.3171.300000112.8T197 Y205T197-G201 PolarHBondContact O-N 2.96Å; G201-Y205 WeakPolarHBondContact O-CB 3.24Å; G201-Y205 PolarHBondContact O-N 3.36Å
202Y84.5Confident80.4Confident72 Ų7286.2 Ų86.228%0.28245%0.45SS..Hα-helixtrans-69.1-39.5175.8-179.3-102.4000113.2L198 K199 D200 Y205 R206 V215 L219 F223L198-Y202 WeakPolarHBondContact O-CB 3.44Å; L198-Y202 PolarHBondContact O-N 3.41Å; K199-Y202 PolarHBondContact O-N 3.23Å; D200-Y202 VanDerWaalsContact C-N 3.34Å; D200-Y202 PolarHBondContact O-N 2.92Å; Y202-Y205 WeakPolarHBondContact O-CB 3.28Å; Y202-Y205 PolarHBondContact O-N 3.12Å; Y202-R206 PolarHBondContact O-N 3.44Å; Y202-V215 HydrophobicContact CD1-CG1 4.02Å; Y202-V215 HydrophobicContact CD1-CG2 4.16Å; Y202-V215 HydrophobicContact CE1-CG1 4.23Å; Y202-L219 HydrophobicContact CD1-CD2 3.84Å; Y202-L219 HydrophobicContact CD2-CD2 3.37Å; Y202-L219 HydrophobicContact CE1-CD2 3.79Å; Y202-L219 HydrophobicContact CE2-CD2 3.3Å; Y202-L219 HydrophobicContact CG-CD2 3.63Å; Y202-F223 HydrophobicContact CG-CZ 4.39Å
203R80.8Confident79.2Confident32 Ų3284 Ų8412%0.12144%0.443CS..Hα-helixtrans-62.9-43.3175-73163.1177.6163.2-2.8111.2K199 D200 Y205 R206 G207 D208K199-R203 WeakPolarHBondContact O-CB 3.45Å; K199-R203 WeakPolarHBondContact O-CD 3.44Å; K199-R203 WeakPolarHBondContact O-CG 3.26Å; K199-R203 PolarHBondContact O-N 2.92Å; D200-R203 PolarHBondContact O-N 2.82Å; D200-R203 IonicContact OD1-CZ 2.81Å; D200-R203 IonicContact OD1-NH1 3.27Å; D200-R203 PolarHBondContact OD1-NH1 3.45Å; R203-Y205 VanDerWaalsContact C-N 3.34Å; R203-R206 PolarHBondContact O-N 3.49Å; R203-R206 VanDerWaalsContact O-N 3.16Å; R203-G207 PolarHBondContact O-N 3.1Å; R203-G207 VanDerWaalsContact O-N 3.17Å; R203-D208 PolarHBondContact O-N 3.41Å; R203-D208 VanDerWaalsContact O-N 3.13Å
204Q83.8Confident78.3Confident159 Ų15982.2 Ų82.274%0.74345%0.445SS*.Hα-helixtrans-61.6-43.3175.3-174.6178.9-200111.2D200 R206 G207D200-Q204 VanDerWaalsContact O-CB 3.31Å; D200-Q204 WeakPolarHBondContact O-CB 3.48Å; D200-Q204 PolarHBondContact O-N 2.98Å; Q204-R206 VanDerWaalsContact C-N 3.26Å; Q204-R206 PolarHBondContact O-N 3Å; Q204-G207 PolarHBondContact O-N 3.35Å; Q204-G207 VanDerWaalsContact O-N 3.11Å
205Y81.6Confident77.5Confident204 Ų20482 Ų8280%0.844%0.444SS*.Hα-helixtrans-60-35.6174.6179.4-98.6000112.8G201 Y202 R203 G207G201-Y205 WeakPolarHBondContact O-CB 3.24Å; G201-Y205 PolarHBondContact O-N 3.36Å; Y202-Y205 WeakPolarHBondContact O-CB 3.28Å; Y202-Y205 PolarHBondContact O-N 3.12Å; R203-Y205 VanDerWaalsContact C-N 3.34Å; Y205-G207 VanDerWaalsContact C-N 3.32Å; Y205-G207 PolarHBondContact O-N 2.82Å
206R80.1Confident77.2Confident146 Ų14683.5 Ų83.555%0.55146%0.456SS*.Hα-helixtrans-76.8-13.4177-169.5166.5176.4-142.810.9114.1Y202 R203 Q204 D208Y202-R206 PolarHBondContact O-N 3.44Å; R203-R206 PolarHBondContact O-N 3.49Å; R203-R206 VanDerWaalsContact O-N 3.16Å; Q204-R206 VanDerWaalsContact C-N 3.26Å; Q204-R206 PolarHBondContact O-N 3Å; R206-D208 VanDerWaalsContact C-N 3.31Å; R206-D208 WeakPolarHBondContact CD-OD2 3.32Å; R206-D208 IonicContact CZ-OD2 3.57Å; R206-D208 IonicContact NE-OD2 3.19Å; R206-D208 IonicContact NH1-OD2 3.91Å; R206-D208 PolarHBondContact NH1-OD2 3.4Å
207G73.9Confident76.9Confident60 Ų6090 Ų9062%0.61948%0.484SS*.THydrogen-bonded Turntrans7912.4-174.200000114.3R203 Q204 Y205 K209R203-G207 PolarHBondContact O-N 3.1Å; R203-G207 VanDerWaalsContact O-N 3.17Å; Q204-G207 PolarHBondContact O-N 3.35Å; Q204-G207 VanDerWaalsContact O-N 3.11Å; Y205-G207 VanDerWaalsContact C-N 3.32Å; Y205-G207 PolarHBondContact O-N 2.82Å; G207-K209 PolarHBondContact O-N 2.9Å
208D72.8Confident76.5Confident46 Ų4693.3 Ų93.325%0.24650%0.498CS..  trans-78.1111.8-177.5-84.8-16.7000110.4R203 R206 L213R203-D208 PolarHBondContact O-N 3.41Å; R203-D208 VanDerWaalsContact O-N 3.13Å; R206-D208 VanDerWaalsContact C-N 3.31Å; R206-D208 WeakPolarHBondContact CD-OD2 3.32Å; R206-D208 IonicContact CZ-OD2 3.57Å; R206-D208 IonicContact NE-OD2 3.19Å; R206-D208 IonicContact NH1-OD2 3.91Å; R206-D208 PolarHBondContact NH1-OD2 3.4Å; D208-L213 HydrophobicContact CB-CD1 3.6Å; D208-L213 WeakPolarHBondContact OD2-CD1 3.24Å
209K64.3Low76.2Confident212 Ų21292.7 Ų92.792%0.92250%0.495SS*.  trans-77.8-15.1177.8-66.2-174.5-178.2178.60114.3G207G207-K209 PolarHBondContact O-N 2.9Å
210A61.9Low76.1Confident55 Ų5592.7 Ų92.746%0.45550%0.498SS..SBendtrans-88.6117-175.300000111.9G212 L213A210-G212 PolarHBondContact O-N 2.84Å; A210-L213 HydrophobicContact CB-CD1 4.01Å; A210-L213 HydrophobicContact CB-CG 4.17Å
211T60.2Low76Confident135 Ų13591 Ų9183%0.82850%0.497SS*.THydrogen-bonded Turntrans-64.998.9170.135.60000109.9
212G63.9Low76Confident55 Ų5593.6 Ų93.657%0.56750%0.501SS*.THydrogen-bonded Turntrans135.7-1175.300000116.1A210A210-G212 PolarHBondContact O-N 2.84Å
213L62.8Low76.1Confident61 Ų6191.2 Ų91.232%0.31949%0.493SS..  trans-58.6140.4176.1-75.8165.8000111.2D208 A210 V215D208-L213 HydrophobicContact CB-CD1 3.6Å; D208-L213 WeakPolarHBondContact OD2-CD1 3.24Å; A210-L213 HydrophobicContact CB-CD1 4.01Å; A210-L213 HydrophobicContact CB-CG 4.17Å; L213-V215 PolarHBondContact O-N 2.79Å; L213-V215 VanDerWaalsContact O-N 3.13Å
214P70.1Confident76.4Confident106 Ų10691 Ų9169%0.68850%0.501SS*.  trans-67.2114.5-174.426.1-33000109.6
215V74.3Confident76.5Confident18 Ų1887.9 Ų87.911%0.10949%0.488CS..  trans-72.9139.2167.6179.40000107.7K199 Y202 L213 K217 L219 F223K199-V215 HydrophobicContact CB-CG2 4.44Å; K199-V215 HydrophobicContact CG-CG2 4.16Å; Y202-V215 HydrophobicContact CD1-CG1 4.02Å; Y202-V215 HydrophobicContact CD1-CG2 4.16Å; Y202-V215 HydrophobicContact CE1-CG1 4.23Å; L213-V215 PolarHBondContact O-N 2.79Å; L213-V215 VanDerWaalsContact O-N 3.13Å; V215-K217 PolarHBondContact O-N 2.86Å; V215-L219 HydrophobicContact CG1-CB 4.06Å; V215-L219 HydrophobicContact CG1-CD2 3.9Å; V215-L219 HydrophobicContact CG1-CG 4.09Å; V215-F223 HydrophobicContact CG1-CE2 4.09Å
216P81.2Confident76.9Confident65 Ų6581.8 Ų81.842%0.42247%0.472SS..  trans-48.6137.5175.7-28.334.7000111.7L218 L219 T220P216-L218 VanDerWaalsContact C-N 3.26Å; P216-L218 PolarHBondContact O-N 3.34Å; P216-L219 HydrophobicContact CB-CB 4.25Å; P216-L219 PolarHBondContact O-N 3.09Å; P216-L219 VanDerWaalsContact O-N 3.09Å; P216-T220 PolarHBondContact O-N 2.97Å; P216-T220 PolarHBondContact O-OG1 2.84Å; P216-T220 VanDerWaalsContact O-OG1 3.1Å
217K80.3Confident77.3Confident194 Ų19474.9 Ų74.984%0.84345%0.446SS*.Hα-helixtrans-56.7-41-176.4-68.6-178-179.21770112V215 T220 G221V215-K217 PolarHBondContact O-N 2.86Å; K217-T220 PolarHBondContact O-N 3.13Å; K217-G221 PolarHBondContact O-N 3.48Å
218L81.1Confident77.9Confident142 Ų14272.4 Ų72.474%0.74342%0.421SS*.Hα-helixtrans-60.7-46.2177.3-175.862.8000111.7P216 G221 L222P216-L218 VanDerWaalsContact C-N 3.26Å; P216-L218 PolarHBondContact O-N 3.34Å; L218-G221 WeakPolarHBondContact O-CA 3.09Å; L218-G221 PolarHBondContact O-N 3.41Å; L218-G221 VanDerWaalsContact O-N 3.13Å; L218-L222 PolarHBondContact O-N 3.43Å
219L83.6Confident78.6Confident38 Ų3871.7 Ų71.720%0.19942%0.421CS..Hα-helixtrans-68.1-38.3179.3-173.261.6000111.9Y202 V215 P216 G221 L222 F223Y202-L219 HydrophobicContact CD1-CD2 3.84Å; Y202-L219 HydrophobicContact CD2-CD2 3.37Å; Y202-L219 HydrophobicContact CE1-CD2 3.79Å; Y202-L219 HydrophobicContact CE2-CD2 3.3Å; Y202-L219 HydrophobicContact CG-CD2 3.63Å; V215-L219 HydrophobicContact CG1-CB 4.06Å; V215-L219 HydrophobicContact CG1-CD2 3.9Å; V215-L219 HydrophobicContact CG1-CG 4.09Å; P216-L219 HydrophobicContact CB-CB 4.25Å; P216-L219 PolarHBondContact O-N 3.09Å; P216-L219 VanDerWaalsContact O-N 3.09Å; L219-G221 PolarHBondContact O-N 2.89Å; L219-L222 HydrophobicContact CD1-CD1 4.25Å; L219-L222 PolarHBondContact O-N 3.07Å; L219-F223 HydrophobicContact CD1-CD1 4.27Å; L219-F223 HydrophobicContact CD1-CE1 3.59Å; L219-F223 HydrophobicContact CD1-CE2 4.45Å; L219-F223 HydrophobicContact CD1-CZ 3.71Å; L219-F223 HydrophobicContact CD2-CE1 4.46Å; L219-F223 HydrophobicContact CD2-CE2 4.09Å; L219-F223 HydrophobicContact CD2-CZ 3.72Å; L219-F223 HydrophobicContact CG-CD1 4.46Å; L219-F223 HydrophobicContact CG-CD2 4.41Å; L219-F223 HydrophobicContact CG-CE1 3.84Å; L219-F223 HydrophobicContact CG-CE2 3.78Å; L219-F223 HydrophobicContact CG-CZ 3.47Å; L219-F223 VanDerWaalsContact CG-CZ 3.47Å; L219-F223 VanDerWaalsContact O-CG 3.26Å; L219-F223 WeakPolarHBondContact O-CG 3.47Å; L219-F223 PolarHBondContact O-N 2.9Å
220T84.2Confident79.9Confident41 Ų4163.2 Ų63.225%0.25239%0.391SS..Hα-helixtrans-61-36.7171.5-55.40000111.3M195 P216 K217 F223 G224M195-T220 HydrophobicContact CE-CG2 3.84Å; P216-T220 PolarHBondContact O-N 2.97Å; P216-T220 PolarHBondContact O-OG1 2.84Å; P216-T220 VanDerWaalsContact O-OG1 3.1Å; K217-T220 PolarHBondContact O-N 3.13Å; T220-F223 PolarHBondContact O-N 3.35Å; T220-G224 PolarHBondContact O-N 3.49Å
221G84Confident81.2Confident34 Ų3461 Ų6135%0.35137%0.372SS..Hα-helixtrans-61.8-46.9171.900000112.5K217 L218 L219 F223 G224 I225K217-G221 PolarHBondContact O-N 3.48Å; L218-G221 WeakPolarHBondContact O-CA 3.09Å; L218-G221 PolarHBondContact O-N 3.41Å; L218-G221 VanDerWaalsContact O-N 3.13Å; L219-G221 PolarHBondContact O-N 2.89Å; G221-F223 PolarHBondContact O-N 2.9Å; G221-G224 CarbonylContact O-C 3.57Å; G221-G224 WeakPolarHBondContact O-CA 3.03Å; G221-G224 PolarHBondContact O-N 3.18Å; G221-G224 VanDerWaalsContact O-N 3.07Å; G221-I225 PolarHBondContact O-N 3Å
222L86.2Confident82.5Confident90 Ų9054.9 Ų54.947%0.47133%0.334SS..Hα-helixtrans-60.7-44.5175.2-66.6177.1000111.9L218 L219 G224 I225 V226L218-L222 PolarHBondContact O-N 3.43Å; L219-L222 HydrophobicContact CD1-CD1 4.25Å; L219-L222 PolarHBondContact O-N 3.07Å; L222-G224 PolarHBondContact O-N 3.39Å; L222-I225 HydrophobicContact CD2-CD1 4.5Å; L222-I225 WeakPolarHBondContact O-CB 3.13Å; L222-I225 PolarHBondContact O-N 2.9Å; L222-I225 VanDerWaalsContact O-N 3.12Å; L222-V226 WeakPolarHBondContact O-CG2 3.27Å; L222-V226 PolarHBondContact O-N 2.74Å
223F87.9Confident83.7Confident22 Ų2257.9 Ų57.910%0.09633%0.329CS..Hα-helixtrans-60.7-37.1173.6-62.3-16.7000111.5M195 L198 K199 Y202 V215 L219 T220 G221 I225 V226 A227M195-F223 HydrophobicContact CE-CB 4.26Å; M195-F223 HydrophobicContact SD-CB 3.74Å; L198-F223 HydrophobicContact CB-CB 4.16Å; L198-F223 HydrophobicContact CB-CD1 3.78Å; L198-F223 HydrophobicContact CB-CD2 3.83Å; L198-F223 HydrophobicContact CB-CE1 4.05Å; L198-F223 HydrophobicContact CB-CE2 4.09Å; L198-F223 HydrophobicContact CB-CG 3.66Å; L198-F223 HydrophobicContact CB-CZ 4.19Å; L198-F223 HydrophobicContact CD1-CB 3.82Å; L198-F223 HydrophobicContact CD1-CD1 3.8Å; L198-F223 HydrophobicContact CD1-CG 3.96Å; L198-F223 HydrophobicContact CD2-CD1 4.45Å; L198-F223 HydrophobicContact CG-CD1 4.23Å; L198-F223 HydrophobicContact CG-CG 4.41Å; L198-F223 WeakPolarHBondContact O-CE2 3.25Å; K199-F223 HydrophobicContact CG-CD2 4.11Å; K199-F223 HydrophobicContact CG-CE2 4.41Å; Y202-F223 HydrophobicContact CG-CZ 4.39Å; V215-F223 HydrophobicContact CG1-CE2 4.09Å; L219-F223 HydrophobicContact CD1-CD1 4.27Å; L219-F223 HydrophobicContact CD1-CE1 3.59Å; L219-F223 HydrophobicContact CD1-CE2 4.45Å; L219-F223 HydrophobicContact CD1-CZ 3.71Å; L219-F223 HydrophobicContact CD2-CE1 4.46Å; L219-F223 HydrophobicContact CD2-CE2 4.09Å; L219-F223 HydrophobicContact CD2-CZ 3.72Å; L219-F223 HydrophobicContact CG-CD1 4.46Å; L219-F223 HydrophobicContact CG-CD2 4.41Å; L219-F223 HydrophobicContact CG-CE1 3.84Å; L219-F223 HydrophobicContact CG-CE2 3.78Å; L219-F223 HydrophobicContact CG-CZ 3.47Å; L219-F223 VanDerWaalsContact CG-CZ 3.47Å; L219-F223 VanDerWaalsContact O-CG 3.26Å; L219-F223 WeakPolarHBondContact O-CG 3.47Å; L219-F223 PolarHBondContact O-N 2.9Å; T220-F223 PolarHBondContact O-N 3.35Å; G221-F223 PolarHBondContact O-N 2.9Å; F223-I225 PolarHBondContact O-N 3.43Å; F223-V226 PolarHBondContact O-N 2.86Å; F223-A227 VanDerWaalsContact O-CB 3.24Å; F223-A227 WeakPolarHBondContact O-CB 3.43Å; F223-A227 PolarHBondContact O-N 3.49Å
224G86.3Confident84.9Confident29 Ų2956.8 Ų56.830%0.29933%0.333SS..Hα-helixtrans-61.4-39.8173.400000113.2M195 T220 G221 L222 G228M195-G224 PolarHBondContact SD-N 3.18Å; M195-G224 VanDerWaalsContact SD-N 3.43Å; T220-G224 PolarHBondContact O-N 3.49Å; G221-G224 CarbonylContact O-C 3.57Å; G221-G224 WeakPolarHBondContact O-CA 3.03Å; G221-G224 PolarHBondContact O-N 3.18Å; G221-G224 VanDerWaalsContact O-N 3.07Å; L222-G224 PolarHBondContact O-N 3.39Å; G224-G228 PolarHBondContact O-N 3.18Å
225I86.3Confident85.9Confident92 Ų9252 Ų5247%0.47230%0.302SS..Hα-helixtrans-65.7-46.8175.1-66.3169.4000110.4G221 L222 F223 G228 A229G221-I225 PolarHBondContact O-N 3Å; L222-I225 HydrophobicContact CD2-CD1 4.5Å; L222-I225 WeakPolarHBondContact O-CB 3.13Å; L222-I225 PolarHBondContact O-N 2.9Å; L222-I225 VanDerWaalsContact O-N 3.12Å; F223-I225 PolarHBondContact O-N 3.43Å; I225-G228 PolarHBondContact O-N 3.14Å; I225-A229 PolarHBondContact O-N 3Å
226V88.6Confident86.6Confident76 Ų7651.1 Ų51.146%0.46130%0.297SS..Hα-helixtrans-62.5-45.5178.11770000111V194 L198 L222 F223 G228 A229 A230V194-V226 HydrophobicContact CG1-CG1 4.27Å; L198-V226 HydrophobicContact CD1-CB 3.99Å; L198-V226 HydrophobicContact CD1-CG1 3.93Å; L222-V226 WeakPolarHBondContact O-CG2 3.27Å; L222-V226 PolarHBondContact O-N 2.74Å; F223-V226 PolarHBondContact O-N 2.86Å; V226-G228 VanDerWaalsContact C-N 3.31Å; V226-G228 PolarHBondContact O-N 2.98Å; V226-A229 PolarHBondContact O-N 3.38Å; V226-A230 WeakPolarHBondContact O-CB 3.4Å; V226-A230 PolarHBondContact O-N 3.42Å
227A88.5Confident87Confident1 Ų149.7 Ų49.71%0.00829%0.287CS..Hα-helixtrans-62-38.9174.800000112.1V194 M195 F223 S231V194-A227 HydrophobicContact CB-CB 3.92Å; V194-A227 HydrophobicContact CG1-CB 3.79Å; M195-A227 HydrophobicContact CG-CB 3.85Å; M195-A227 HydrophobicContact SD-CB 4.02Å; F223-A227 VanDerWaalsContact O-CB 3.24Å; F223-A227 WeakPolarHBondContact O-CB 3.43Å; F223-A227 PolarHBondContact O-N 3.49Å; A227-S231 VanDerWaalsContact O-CB 3.28Å; A227-S231 WeakPolarHBondContact O-CB 3.38Å; A227-S231 PolarHBondContact O-N 3.3Å; A227-S231 PolarHBondContact O-OG 2.95Å
228G87.2Confident87.4Confident9 Ų942.2 Ų42.29%0.09326%0.256CS..Hα-helixtrans-60-51.8173.200000111.6G224 I225 V226 A230 S231 V232G224-G228 PolarHBondContact O-N 3.18Å; I225-G228 PolarHBondContact O-N 3.14Å; V226-G228 VanDerWaalsContact C-N 3.31Å; V226-G228 PolarHBondContact O-N 2.98Å; G228-A230 PolarHBondContact O-N 3.26Å; G228-S231 PolarHBondContact O-N 3.2Å; G228-S231 PolarHBondContact O-OG 3.23Å; G228-V232 WeakPolarHBondContact O-CG2 3.2Å; G228-V232 PolarHBondContact O-N 3.35Å
229A88.5Confident87.8Confident30 Ų3035.6 Ų35.625%0.24822%0.222CC..Hα-helixtrans-60.4-46.8177.700000112I225 V226 S231 V232 Y233 L280I225-A229 PolarHBondContact O-N 3Å; V226-A229 PolarHBondContact O-N 3.38Å; A229-S231 VanDerWaalsContact C-N 3.3Å; A229-S231 PolarHBondContact O-N 2.93Å; A229-V232 WeakPolarHBondContact O-CB 3.35Å; A229-V232 PolarHBondContact O-N 2.66Å; A229-V232 VanDerWaalsContact O-N 3.1Å; A229-Y233 VanDerWaalsContact O-CD2 3.23Å; A229-Y233 WeakPolarHBondContact O-CD2 3.41Å; A229-Y233 PolarHBondContact O-N 2.85Å; A229-Y233 VanDerWaalsContact O-N 3.17Å; A229-L280 HydrophobicContact CB-CD1 4.38Å
230A90.3Very high87.9Confident34 Ų3433.8 Ų33.828%0.28121%0.212SC..Hα-helixtrans-59.3-41.8175.800000111.9I190 V194 V226 G228 V232 Y233 G234I190-A230 HydrophobicContact CG2-CB 4.17Å; V194-A230 HydrophobicContact CG2-CB 3.96Å; V226-A230 WeakPolarHBondContact O-CB 3.4Å; V226-A230 PolarHBondContact O-N 3.42Å; G228-A230 PolarHBondContact O-N 3.26Å; A230-V232 VanDerWaalsContact C-N 3.3Å; A230-V232 PolarHBondContact O-N 2.99Å; A230-Y233 PolarHBondContact O-N 3.21Å; A230-G234 PolarHBondContact O-N 3.09Å
231S89.9Confident88.2Confident9 Ų932.1 Ų32.16%0.06320%0.202CC..Hα-helixtrans-64.9-32.7176.378.70000112.7A227 G228 A229 N235A227-S231 VanDerWaalsContact O-CB 3.28Å; A227-S231 WeakPolarHBondContact O-CB 3.38Å; A227-S231 PolarHBondContact O-N 3.3Å; A227-S231 PolarHBondContact O-OG 2.95Å; G228-S231 PolarHBondContact O-N 3.2Å; G228-S231 PolarHBondContact O-OG 3.23Å; A229-S231 VanDerWaalsContact C-N 3.3Å; A229-S231 PolarHBondContact O-N 2.93Å; S231-N235 VanDerWaalsContact O-CB 3.24Å; S231-N235 WeakPolarHBondContact O-CB 3.3Å; S231-N235 PolarHBondContact O-N 2.89Å; S231-N235 PolarHBondContact O-ND2 3.34Å
232V87.7Confident88.4Confident6 Ų630.7 Ų30.74%0.03619%0.186CC..Hα-helixtrans-63-53.5173.9170.50000109.7G228 A229 A230 G234 N235 T236 T276 R279 V283G228-V232 WeakPolarHBondContact O-CG2 3.2Å; G228-V232 PolarHBondContact O-N 3.35Å; A229-V232 WeakPolarHBondContact O-CB 3.35Å; A229-V232 PolarHBondContact O-N 2.66Å; A229-V232 VanDerWaalsContact O-N 3.1Å; A230-V232 VanDerWaalsContact C-N 3.3Å; A230-V232 PolarHBondContact O-N 2.99Å; V232-G234 PolarHBondContact O-N 3.3Å; V232-N235 PolarHBondContact O-N 3.33Å; V232-T236 WeakPolarHBondContact O-CB 3.42Å; V232-T236 PolarHBondContact O-N 2.91Å; V232-T236 PolarHBondContact O-OG1 2.88Å; V232-T276 HydrophobicContact CG1-CG2 4.22Å; V232-R279 HydrophobicContact CG1-CB 4.23Å; V232-R279 HydrophobicContact CG1-CG 3.72Å; V232-R279 HydrophobicContact CG2-CG 4.19Å; V232-V283 HydrophobicContact CG2-CB 4.33Å; V232-V283 HydrophobicContact CG2-CG2 3.5Å; V232-V283 VanDerWaalsContact CG2-CG2 3.5Å
233Y88.9Confident88.3Confident118 Ų11826.9 Ų26.946%0.46317%0.166SC..Hα-helixtrans-61.4-43.6-179-72.8-70.4000112.7A229 A230 P237 Y273 T276A229-Y233 VanDerWaalsContact O-CD2 3.23Å; A229-Y233 WeakPolarHBondContact O-CD2 3.41Å; A229-Y233 PolarHBondContact O-N 2.85Å; A229-Y233 VanDerWaalsContact O-N 3.17Å; A230-Y233 PolarHBondContact O-N 3.21Å; Y233-P237 WeakPolarHBondContact O-CD 3.35Å; Y233-Y273 HydrophobicContact CD1-CE1 4.46Å; Y233-T276 HydrophobicContact CD1-CG2 4.01Å; Y233-T276 HydrophobicContact CE1-CG2 3.75Å
234G88.3Confident88.1Confident39 Ų3925.9 Ų25.940%0.40216%0.162SC..Hα-helixtrans-69.2-32.7-18000000114.1A230 V232A230-G234 PolarHBondContact O-N 3.09Å; V232-G234 PolarHBondContact O-N 3.3Å
235N90.4Very high88Confident4 Ų425.2 Ų25.22%0.02115%0.151CC..Hα-helixtrans-95.9-8.8-178.6-66.4-67.4000114.2S186 N187 S231 V232 L238 D239S186-N235 WeakPolarHBondContact CB-OD1 3.45Å; N187-N235 VanDerWaalsContact CA-ND2 3.32Å; N187-N235 WeakPolarHBondContact CA-ND2 3.46Å; N187-N235 PolarHBondContact N-OD1 2.87Å; S231-N235 VanDerWaalsContact O-CB 3.24Å; S231-N235 WeakPolarHBondContact O-CB 3.3Å; S231-N235 PolarHBondContact O-N 2.89Å; S231-N235 PolarHBondContact O-ND2 3.34Å; V232-N235 PolarHBondContact O-N 3.33Å; N235-L238 PolarHBondContact O-N 3.15Å; N235-D239 PolarHBondContact O-N 3.46Å
236T89.2Confident88Confident1 Ų120.9 Ų20.91%0.00613%0.129CC..Hα-helixtrans-60.4-41.6-179.1-59.60000112.8V232 L238 D239 V240 F272 T276V232-T236 WeakPolarHBondContact O-CB 3.42Å; V232-T236 PolarHBondContact O-N 2.91Å; V232-T236 PolarHBondContact O-OG1 2.88Å; T236-L238 VanDerWaalsContact C-N 3.32Å; T236-L238 PolarHBondContact O-N 2.8Å; T236-D239 WeakPolarHBondContact O-CB 3.29Å; T236-D239 PolarHBondContact O-N 3.45Å; T236-D239 VanDerWaalsContact O-N 3.09Å; T236-V240 HydrophobicContact CG2-CG2 4.42Å; T236-V240 PolarHBondContact O-N 2.84Å; T236-F272 CarbonylContact C-O 3.47Å; T236-F272 WeakPolarHBondContact CG2-O 3.29Å; T236-T276 WeakPolarHBondContact CG2-OG1 3.28Å
237P89.3Confident87.7Confident35 Ų3517.3 Ų17.323%0.22711%0.108CC..Hα-helixtrans-58.2-42.9174.2-26.835.8000113.1Y233 D239 V240 V241 F272Y233-P237 WeakPolarHBondContact O-CD 3.35Å; P237-D239 VanDerWaalsContact C-N 3.33Å; P237-D239 PolarHBondContact O-N 3.41Å; P237-V240 PolarHBondContact O-N 2.85Å; P237-V241 WeakPolarHBondContact O-CG2 3.25Å; P237-V241 PolarHBondContact O-N 3.34Å; P237-V241 VanDerWaalsContact O-N 3.12Å; P237-F272 HydrophobicContact CB-CB 4.08Å; P237-F272 HydrophobicContact CB-CD1 3.94Å; P237-F272 HydrophobicContact CB-CG 4.36Å; P237-F272 HydrophobicContact CG-CB 4.28Å
238L89.5Confident87.1Confident36 Ų3618.9 Ų18.919%0.18812%0.116CC..Hα-helixtrans-65.1-37.5175.6-68.1172.3000111.7L182 K183 N235 T236 V241 K242L182-L238 HydrophobicContact CB-CD1 4.17Å; L182-L238 HydrophobicContact CB-CD2 3.99Å; L182-L238 HydrophobicContact CD1-CD2 4.2Å; K183-L238 HydrophobicContact CB-CB 4.44Å; N235-L238 PolarHBondContact O-N 3.15Å; T236-L238 VanDerWaalsContact C-N 3.32Å; T236-L238 PolarHBondContact O-N 2.8Å; L238-V241 PolarHBondContact O-N 3.01Å; L238-K242 WeakPolarHBondContact O-CB 3.15Å; L238-K242 PolarHBondContact O-N 3.37Å
239D88Confident86.6Confident3 Ų321.9 Ų21.92%0.01613%0.13CC..Hα-helixtrans-63.9-43.5175.9-87.30.1000112.2K42 K183 N235 T236 P237 K242 T243 R279K42-D239 IonicContact NZ-OD2 2.53Å; K42-D239 PolarHBondContact NZ-OD2 2.94Å; K183-D239 WeakPolarHBondContact CD-OD1 3.31Å; K183-D239 WeakPolarHBondContact CE-OD1 3.31Å; K183-D239 VanDerWaalsContact NZ-CG 3.31Å; K183-D239 IonicContact NZ-OD1 2.92Å; K183-D239 PolarHBondContact NZ-OD1 2.89Å; K183-D239 IonicContact NZ-OD2 2.85Å; K183-D239 PolarHBondContact NZ-OD2 2.84Å; N235-D239 PolarHBondContact O-N 3.46Å; T236-D239 WeakPolarHBondContact O-CB 3.29Å; T236-D239 PolarHBondContact O-N 3.45Å; T236-D239 VanDerWaalsContact O-N 3.09Å; P237-D239 VanDerWaalsContact C-N 3.33Å; P237-D239 PolarHBondContact O-N 3.41Å; D239-K242 PolarHBondContact O-N 3.29Å; D239-T243 WeakPolarHBondContact O-CB 3.41Å; D239-T243 PolarHBondContact O-N 3.42Å; D239-T243 PolarHBondContact O-OG1 3.47Å; D239-R279 IonicContact OD2-NE 3.89Å
240V87.1Confident86.1Confident0 Ų020.8 Ų20.80%012%0.121CC..Hα-helixtrans-62.8-49.3177.21750000110Q46 T236 P237 K242 T243 R244 I263 F272Q46-V240 HydrophobicContact CG-CG2 4.34Å; T236-V240 HydrophobicContact CG2-CG2 4.42Å; T236-V240 PolarHBondContact O-N 2.84Å; P237-V240 PolarHBondContact O-N 2.85Å; V240-K242 VanDerWaalsContact C-N 3.32Å; V240-K242 PolarHBondContact O-N 3.25Å; V240-T243 PolarHBondContact O-N 3.05Å; V240-R244 HydrophobicContact CG1-CG 4.21Å; V240-R244 WeakPolarHBondContact O-CB 3.16Å; V240-R244 WeakPolarHBondContact O-CG 3.3Å; V240-R244 PolarHBondContact O-N 3.02Å; V240-I263 HydrophobicContact CG1-CD1 4.19Å; V240-F272 VanDerWaalsContact CG2-O 3.29Å; V240-F272 WeakPolarHBondContact CG2-O 2.75Å
241V89.2Confident85.5Confident6 Ų625.7 Ų25.74%0.03614%0.138CC..Hα-helixtrans-59.5-44.2178175.20000111.1P179 P237 L238 M245 T256 C259 A260 I263 F272P179-V241 HydrophobicContact CB-CG1 4.3Å; P237-V241 WeakPolarHBondContact O-CG2 3.25Å; P237-V241 PolarHBondContact O-N 3.34Å; P237-V241 VanDerWaalsContact O-N 3.12Å; L238-V241 PolarHBondContact O-N 3.01Å; V241-M245 HydrophobicContact CG1-CG 4.48Å; V241-M245 HydrophobicContact CG1-SD 4.08Å; V241-M245 WeakPolarHBondContact O-CB 3.36Å; V241-M245 VanDerWaalsContact O-CG 3.29Å; V241-M245 WeakPolarHBondContact O-CG 3.13Å; V241-M245 PolarHBondContact O-N 3.43Å; V241-T256 HydrophobicContact CG1-CG2 3.66Å; V241-C259 HydrophobicContact CG1-CB 4.16Å; V241-A260 HydrophobicContact CG2-CB 4.14Å; V241-I263 HydrophobicContact CG2-CD1 4.04Å; V241-F272 HydrophobicContact CG2-CD1 4.37Å; V241-F272 HydrophobicContact CG2-CE1 3.84Å
242K88.4Confident85.1Confident5 Ų527.3 Ų27.32%0.02214%0.143CC..Hα-helixtrans-57.4-54.8175.9179.7-173.6162-170.60110.9E137 P179 T180 K183 L238 D239 V240 R244 M245 Q246E137-K242 IonicContact OE2-NZ 3.54Å; E137-K242 PolarHBondContact OE2-NZ 3.03Å; P179-K242 HydrophobicContact CB-CB 3.98Å; P179-K242 HydrophobicContact CG-CB 4.15Å; T180-K242 WeakPolarHBondContact OG1-CD 3.48Å; T180-K242 WeakPolarHBondContact OG1-CE 3.42Å; K183-K242 HydrophobicContact CD-CD 4.31Å; L238-K242 WeakPolarHBondContact O-CB 3.15Å; L238-K242 PolarHBondContact O-N 3.37Å; D239-K242 PolarHBondContact O-N 3.29Å; V240-K242 VanDerWaalsContact C-N 3.32Å; V240-K242 PolarHBondContact O-N 3.25Å; K242-R244 VanDerWaalsContact C-N 3.33Å; K242-R244 PolarHBondContact O-N 2.83Å; K242-M245 CarbonylContact O-C 3.57Å; K242-M245 PolarHBondContact O-N 3.06Å; K242-M245 VanDerWaalsContact O-N 3.16Å; K242-Q246 HydrophobicContact CG-CG 4.44Å; K242-Q246 WeakPolarHBondContact O-CB 3.3Å; K242-Q246 WeakPolarHBondContact O-CG 3.46Å; K242-Q246 PolarHBondContact O-N 2.77Å
243T84.7Confident84.9Confident9 Ų927.3 Ų27.36%0.05514%0.143CC..Hα-helixtrans-62.3-40.7-176-620000111.5T43 Q46 L47 V141 D239 V240 M245 Q246 G247T43-T243 HydrophobicContact CG2-CG2 4.08Å; Q46-T243 HydrophobicContact CB-CG2 3.6Å; Q46-T243 PolarHBondContact OE1-OG1 3.45Å; L47-T243 HydrophobicContact CD2-CG2 3.82Å; L47-T243 HydrophobicContact CG-CG2 3.73Å; V141-T243 HydrophobicContact CG1-CG2 4.16Å; D239-T243 WeakPolarHBondContact O-CB 3.41Å; D239-T243 PolarHBondContact O-N 3.42Å; D239-T243 PolarHBondContact O-OG1 3.47Å; V240-T243 PolarHBondContact O-N 3.05Å; T243-M245 PolarHBondContact O-N 2.92Å; T243-Q246 PolarHBondContact O-N 3.49Å; T243-G247 PolarHBondContact O-N 3.15Å
244R83.7Confident84.5Confident2 Ų229.7 Ų29.71%0.00816%0.155CC..Hα-helixtrans-62.6-40.7174.6-66.1-77.4-161.6-140.74.6112.5Q46 L47 D48 E49 V240 K242 Q246 Y253 I263 E267Q46-R244 PolarHBondContact O-NE 2.84Å; Q46-R244 PolarHBondContact O-NH1 2.88Å; L47-R244 PolarHBondContact O-NH1 3.41Å; D48-R244 PolarHBondContact O-NH1 2.86Å; D48-R244 PolarHBondContact O-NH2 3.5Å; E49-R244 VanDerWaalsContact N-NH1 3.18Å; E49-R244 WeakPolarHBondContact OE1-CD 3.49Å; E49-R244 IonicContact OE1-NE 2.7Å; V240-R244 HydrophobicContact CG1-CG 4.21Å; V240-R244 WeakPolarHBondContact O-CB 3.16Å; V240-R244 WeakPolarHBondContact O-CG 3.3Å; V240-R244 PolarHBondContact O-N 3.02Å; K242-R244 VanDerWaalsContact C-N 3.33Å; K242-R244 PolarHBondContact O-N 2.83Å; R244-Q246 VanDerWaalsContact C-N 3.29Å; R244-Q246 PolarHBondContact O-N 3.4Å; R244-Y253 HydrophobicContact CB-CE2 3.93Å; R244-I263 HydrophobicContact CG-CD1 4.22Å; R244-E267 IonicContact CZ-OE1 3.21Å; R244-E267 IonicContact NE-OE1 2.7Å; R244-E267 IonicContact NH2-OE1 3.21Å; R244-E267 PolarHBondContact NH2-OE1 3.39Å; R244-E267 IonicContact NH2-OE2 3.79Å; R244-E267 PolarHBondContact NH2-OE2 3.22Å
245M85.2Confident84.3Confident14 Ų1433.2 Ų33.27%0.06917%0.165CC..Hα-helixtrans-74.6-17176.1-71.6-174.178.100114.1K175 P179 V241 K242 T243 A250 T256 C259K175-M245 WeakPolarHBondContact CB-O 3.39Å; P179-M245 HydrophobicContact CG-SD 3.94Å; V241-M245 HydrophobicContact CG1-CG 4.48Å; V241-M245 HydrophobicContact CG1-SD 4.08Å; V241-M245 WeakPolarHBondContact O-CB 3.36Å; V241-M245 VanDerWaalsContact O-CG 3.29Å; V241-M245 WeakPolarHBondContact O-CG 3.13Å; V241-M245 PolarHBondContact O-N 3.43Å; K242-M245 CarbonylContact O-C 3.57Å; K242-M245 PolarHBondContact O-N 3.06Å; K242-M245 VanDerWaalsContact O-N 3.16Å; T243-M245 PolarHBondContact O-N 2.92Å; M245-A250 WeakPolarHBondContact O-CB 3.22Å; M245-T256 VanDerWaalsContact SD-CA 3.54Å; M245-T256 HydrophobicContact SD-CG2 4.12Å; M245-C259 HydrophobicContact CG-CB 3.99Å; M245-C259 HydrophobicContact SD-CB 4.28Å
246Q85Confident84.2Confident1 Ų134.1 Ų34.11%0.00517%0.171CC..Hα-helixtrans-99.2-8.3177.7-72.9-171.8-41.200113.4T134 T138 V141 K175 K242 T243 R244T134-Q246 PolarHBondContact O-NE2 3.25Å; T138-Q246 WeakPolarHBondContact OG1-CG 3.33Å; T138-Q246 PolarHBondContact OG1-NE2 3.32Å; V141-Q246 HydrophobicContact CB-CB 4.02Å; V141-Q246 HydrophobicContact CG1-CB 4.05Å; V141-Q246 HydrophobicContact CG2-CB 4.15Å; K175-Q246 WeakPolarHBondContact O-CG 3.26Å; K242-Q246 HydrophobicContact CG-CG 4.44Å; K242-Q246 WeakPolarHBondContact O-CB 3.3Å; K242-Q246 WeakPolarHBondContact O-CG 3.46Å; K242-Q246 PolarHBondContact O-N 2.77Å; T243-Q246 PolarHBondContact O-N 3.49Å; R244-Q246 VanDerWaalsContact C-N 3.29Å; R244-Q246 PolarHBondContact O-N 3.4Å
247G81.9Confident84.1Confident2 Ų241 Ų412%0.02121%0.207CC..SBendtrans-70.1179.5174.900000114.1T243 D249 A250T243-G247 PolarHBondContact O-N 3.15Å; G247-D249 VanDerWaalsContact C-N 3.3Å; G247-A250 VanDerWaalsContact O-CB 3.24Å; G247-A250 WeakPolarHBondContact O-CB 3.44Å; G247-A250 PolarHBondContact O-N 2.91Å
248L76.3Confident84.1Confident33 Ų3342.2 Ų42.217%0.17321%0.209CC..G310 helixtrans-69.4-31.8177.8-63.9169.6000111.5K142 N145 S149 A250 H251K142-L248 HydrophobicContact CB-CD2 4.18Å; K142-L248 HydrophobicContact CD-CD2 4.29Å; K142-L248 HydrophobicContact CG-CD2 3.97Å; N145-L248 HydrophobicContact CB-CD1 4.1Å; N145-L248 HydrophobicContact CB-CG 4.15Å; N145-L248 WeakPolarHBondContact ND2-CB 3.39Å; N145-L248 VanDerWaalsContact ND2-CG 3.35Å; N145-L248 WeakPolarHBondContact ND2-CG 3.47Å; N145-L248 PolarHBondContact ND2-N 3.48Å; S149-L248 WeakPolarHBondContact OG-CD1 3.06Å; L248-A250 PolarHBondContact O-N 3.23Å; L248-H251 PolarHBondContact O-ND1 3.26Å
249D76.8Confident84Confident73 Ų7340.5 Ų40.539%0.3920%0.201SC..G310 helixtrans-81.813.5177.9-61.2-58.3000113.9G247 H251 K252G247-D249 VanDerWaalsContact C-N 3.3Å; D249-H251 PolarHBondContact O-N 3.42Å; D249-H251 IonicContact OD1-CE1 3.38Å; D249-K252 HydrophobicContact CB-CD 4Å; D249-K252 WeakPolarHBondContact O-CD 3.22Å; D249-K252 WeakPolarHBondContact O-CE 3.35Å; D249-K252 WeakPolarHBondContact O-CG 3.49Å; D249-K252 PolarHBondContact O-N 3.1Å
250A78.8Confident84Confident6 Ų641.7 Ų41.75%0.0521%0.21CC..G310 helixtrans-59.5-16178.700000114.4K175 M245 G247 L248 K252 Y253K175-A250 HydrophobicContact CD-CB 3.92Å; K175-A250 PolarHBondContact NZ-O 3.28Å; M245-A250 WeakPolarHBondContact O-CB 3.22Å; G247-A250 VanDerWaalsContact O-CB 3.24Å; G247-A250 WeakPolarHBondContact O-CB 3.44Å; G247-A250 PolarHBondContact O-N 2.91Å; L248-A250 PolarHBondContact O-N 3.23Å; A250-K252 VanDerWaalsContact C-N 3.32Å; A250-Y253 PolarHBondContact O-N 3.07Å
251H77.1Confident84.2Confident138 Ų13849.4 Ų49.464%0.63924%0.24SC*.G310 helixtrans-68-27.8177.866.3-85000113.3L248 D249 Y253L248-H251 PolarHBondContact O-ND1 3.26Å; D249-H251 PolarHBondContact O-N 3.42Å; D249-H251 IonicContact OD1-CE1 3.38Å; H251-Y253 VanDerWaalsContact C-N 3.28Å; H251-Y253 PolarHBondContact O-N 2.9Å
252K81.3Confident84.1Confident42 Ų4250.7 Ų50.718%0.18325%0.245CC..G310 helixtrans-76.7-13.2179.478.5-159.4170.2148.90114.3E49 M51 D249 A250E49-K252 WeakPolarHBondContact OE1-CE 3.36Å; E49-K252 IonicContact OE1-NZ 3.21Å; E49-K252 PolarHBondContact OE1-NZ 2.92Å; E49-K252 IonicContact OE2-NZ 3.99Å; E49-K252 PolarHBondContact OE2-NZ 2.99Å; M51-K252 HydrophobicContact SD-CD 4.3Å; M51-K252 PolarHBondContact SD-NZ 3.09Å; D249-K252 HydrophobicContact CB-CD 4Å; D249-K252 WeakPolarHBondContact O-CD 3.22Å; D249-K252 WeakPolarHBondContact O-CE 3.35Å; D249-K252 WeakPolarHBondContact O-CG 3.49Å; D249-K252 PolarHBondContact O-N 3.1Å; A250-K252 VanDerWaalsContact C-N 3.32Å
253Y83Confident84Confident6 Ų650.5 Ų50.52%0.02424%0.244CC..  trans-99117.5178.9-57.5-63.2000109.5E49 R244 A250 H251 C259 K262E49-Y253 PolarHBondContact OE1-OH 3.15Å; R244-Y253 HydrophobicContact CB-CE2 3.93Å; A250-Y253 PolarHBondContact O-N 3.07Å; H251-Y253 VanDerWaalsContact C-N 3.28Å; H251-Y253 PolarHBondContact O-N 2.9Å; Y253-C259 VanDerWaalsContact CD1-CA 3.47Å; Y253-C259 HydrophobicContact CD1-CB 3.59Å; Y253-C259 HydrophobicContact CD2-CB 4.48Å; Y253-C259 HydrophobicContact CE1-CB 4.04Å; Y253-C259 HydrophobicContact CG-CB 3.82Å; Y253-K262 HydrophobicContact CD1-CD 4.33Å; Y253-K262 HydrophobicContact CE1-CB 4.33Å; Y253-K262 HydrophobicContact CE1-CD 3.86Å
254K82.2Confident84.2Confident168 Ų16857.1 Ų57.173%0.7327%0.268SS*.SBendtrans-68.3-49.9176.5-64.7-176.3179.3-178.30111.1H258K254-H258 HydrophobicContact CB-CB 4.4Å
255N84.2Confident84.4Confident114 Ų11460.4 Ų60.461%0.6129%0.289SS*.SBendtrans-144.8168-175.3-70.5-37.1000110.9L257 H258 C259N255-L257 VanDerWaalsContact C-N 3.31Å; N255-L257 PolarHBondContact O-N 2.97Å; N255-H258 WeakPolarHBondContact O-CB 3.07Å; N255-H258 PolarHBondContact O-N 3.4Å; N255-H258 VanDerWaalsContact O-N 3.1Å; N255-C259 PolarHBondContact O-N 3.17Å
256T86.6Confident84.4Confident22 Ų2264.6 Ų64.614%0.13531%0.308CS..Hα-helixtrans-54.6-44.2175.6-45.90000112.7T178 P179 V241 M245 C259 A260T178-T256 WeakPolarHBondContact CB-OG1 3.19Å; P179-T256 HydrophobicContact CB-CG2 4.04Å; P179-T256 HydrophobicContact CG-CG2 4.14Å; V241-T256 HydrophobicContact CG1-CG2 3.66Å; M245-T256 VanDerWaalsContact SD-CA 3.54Å; M245-T256 HydrophobicContact SD-CG2 4.12Å; T256-C259 WeakPolarHBondContact O-CB 3.19Å; T256-C259 PolarHBondContact O-N 2.84Å; T256-A260 PolarHBondContact O-N 3.16Å
257L88.7Confident84.1Confident146 Ų14665.1 Ų65.176%0.76431%0.311SS*.Hα-helixtrans-67.2-36.7177.8-63.8179.2000112.2N255 C259 A260 W261N255-L257 VanDerWaalsContact C-N 3.31Å; N255-L257 PolarHBondContact O-N 2.97Å; L257-C259 VanDerWaalsContact C-N 3.34Å; L257-A260 PolarHBondContact O-N 3.47Å; L257-W261 VanDerWaalsContact O-CB 3.3Å; L257-W261 WeakPolarHBondContact O-CB 3.41Å; L257-W261 PolarHBondContact O-N 3.4Å
258H88.6Confident84.3Confident61 Ų6166.3 Ų66.328%0.28232%0.323SS..Hα-helixtrans-67.4-37.3175.9-175.6-87.4000111.5K254 N255 K262K254-H258 HydrophobicContact CB-CB 4.4Å; N255-H258 WeakPolarHBondContact O-CB 3.07Å; N255-H258 PolarHBondContact O-N 3.4Å; N255-H258 VanDerWaalsContact O-N 3.1Å; H258-K262 VanDerWaalsContact O-CB 3.28Å; H258-K262 WeakPolarHBondContact O-CB 3.4Å; H258-K262 PolarHBondContact O-N 2.86Å
259C87.3Confident84.6Confident0 Ų069.4 Ų69.40%034%0.335CS..Hα-helixtrans-62-50.3172-175.80000111.2V241 M245 Y253 N255 T256 L257 W261 K262 I263V241-C259 HydrophobicContact CG1-CB 4.16Å; M245-C259 HydrophobicContact CG-CB 3.99Å; M245-C259 HydrophobicContact SD-CB 4.28Å; Y253-C259 VanDerWaalsContact CD1-CA 3.47Å; Y253-C259 HydrophobicContact CD1-CB 3.59Å; Y253-C259 HydrophobicContact CD2-CB 4.48Å; Y253-C259 HydrophobicContact CE1-CB 4.04Å; Y253-C259 HydrophobicContact CG-CB 3.82Å; N255-C259 PolarHBondContact O-N 3.17Å; T256-C259 WeakPolarHBondContact O-CB 3.19Å; T256-C259 PolarHBondContact O-N 2.84Å; L257-C259 VanDerWaalsContact C-N 3.34Å; C259-W261 PolarHBondContact O-N 3.41Å; C259-K262 PolarHBondContact O-N 2.93Å; C259-I263 WeakPolarHBondContact O-CD1 3.18Å; C259-I263 VanDerWaalsContact O-CG1 3.27Å; C259-I263 WeakPolarHBondContact O-CG1 3.35Å; C259-I263 PolarHBondContact O-N 2.94Å
260A89.1Confident85Confident27 Ų2774.4 Ų74.422%0.22335%0.354CS..Hα-helixtrans-60.1-45.9177.600000112.1V241 T256 L257 K262 I263 W264 F272V241-A260 HydrophobicContact CG2-CB 4.14Å; T256-A260 PolarHBondContact O-N 3.16Å; L257-A260 PolarHBondContact O-N 3.47Å; A260-K262 VanDerWaalsContact C-N 3.35Å; A260-K262 PolarHBondContact O-N 2.85Å; A260-I263 PolarHBondContact O-N 3.31Å; A260-W264 WeakPolarHBondContact O-CB 3.48Å; A260-W264 PolarHBondContact O-N 3.48Å; A260-F272 HydrophobicContact CB-CE1 4.31Å; A260-F272 HydrophobicContact CB-CZ 4.3Å; A260-F272 WeakPolarHBondContact O-CZ 3.44Å
261W90.3Very high85.2Confident163 Ų16374.2 Ų74.262%0.61735%0.352SS*.Hα-helixtrans-60.1-44.9177.6-177.878.3000111.8L257 C259 I263 W264 T265L257-W261 VanDerWaalsContact O-CB 3.3Å; L257-W261 WeakPolarHBondContact O-CB 3.41Å; L257-W261 PolarHBondContact O-N 3.4Å; C259-W261 PolarHBondContact O-N 3.41Å; W261-I263 PolarHBondContact O-N 2.92Å; W261-W264 WeakPolarHBondContact O-CB 3.33Å; W261-W264 PolarHBondContact O-N 2.86Å; W261-W264 VanDerWaalsContact O-N 3.17Å; W261-T265 HydrophobicContact CD2-CG2 4.11Å; W261-T265 HydrophobicContact CG-CG2 4.47Å; W261-T265 HydrophobicContact CZ2-CG2 3.89Å; W261-T265 PolarHBondContact O-N 2.73Å; W261-T265 PolarHBondContact O-OG1 3Å
262K87.5Confident85.6Confident32 Ų3268.6 Ų68.614%0.13933%0.326CS..Hα-helixtrans-62-41.8177.5-167.6172.7-168.41750112.6M51 Y253 H258 C259 A260 W264 T265 E266M51-K262 VanDerWaalsContact CE-NZ 3.32Å; M51-K262 HydrophobicContact SD-CD 4.45Å; Y253-K262 HydrophobicContact CD1-CD 4.33Å; Y253-K262 HydrophobicContact CE1-CB 4.33Å; Y253-K262 HydrophobicContact CE1-CD 3.86Å; H258-K262 VanDerWaalsContact O-CB 3.28Å; H258-K262 WeakPolarHBondContact O-CB 3.4Å; H258-K262 PolarHBondContact O-N 2.86Å; C259-K262 PolarHBondContact O-N 2.93Å; A260-K262 VanDerWaalsContact C-N 3.35Å; A260-K262 PolarHBondContact O-N 2.85Å; K262-W264 VanDerWaalsContact C-N 3.32Å; K262-W264 PolarHBondContact O-N 2.95Å; K262-T265 PolarHBondContact O-OG1 2.89Å; K262-E266 WeakPolarHBondContact CE-OE1 3.2Å; K262-E266 WeakPolarHBondContact CE-OE2 3.44Å; K262-E266 VanDerWaalsContact CG-CD 3.48Å; K262-E266 HydrophobicContact CG-CG 4.16Å; K262-E266 WeakPolarHBondContact CG-OE1 3.3Å; K262-E266 IonicContact NZ-OE1 3.93Å; K262-E266 VanDerWaalsContact O-CB 3.29Å; K262-E266 WeakPolarHBondContact O-CB 3.19Å; K262-E266 PolarHBondContact O-N 3.39Å
263I86.7Confident85.8Confident2 Ų270.7 Ų70.71%0.0133%0.333CS..Iπ-helixtrans-62.1-43.3175-66.4162.7000110.3V240 V241 R244 C259 A260 W261 E267 G268 A271 F272V240-I263 HydrophobicContact CG1-CD1 4.19Å; V241-I263 HydrophobicContact CG2-CD1 4.04Å; R244-I263 HydrophobicContact CG-CD1 4.22Å; C259-I263 WeakPolarHBondContact O-CD1 3.18Å; C259-I263 VanDerWaalsContact O-CG1 3.27Å; C259-I263 WeakPolarHBondContact O-CG1 3.35Å; C259-I263 PolarHBondContact O-N 2.94Å; A260-I263 PolarHBondContact O-N 3.31Å; W261-I263 PolarHBondContact O-N 2.92Å; I263-E267 WeakPolarHBondContact O-CA 3.13Å; I263-E267 WeakPolarHBondContact O-CB 3.35Å; I263-E267 PolarHBondContact O-N 3.26Å; I263-G268 PolarHBondContact O-N 3.15Å; I263-G268 VanDerWaalsContact O-N 3.09Å; I263-A271 HydrophobicContact CG2-CB 3.65Å; I263-F272 HydrophobicContact CB-CE1 4.24Å; I263-F272 HydrophobicContact CB-CE2 4.19Å; I263-F272 HydrophobicContact CB-CZ 3.84Å; I263-F272 HydrophobicContact CD1-CE1 4.33Å; I263-F272 HydrophobicContact CG2-CD1 4.24Å; I263-F272 HydrophobicContact CG2-CD2 3.95Å; I263-F272 HydrophobicContact CG2-CE1 3.99Å; I263-F272 HydrophobicContact CG2-CE2 3.66Å; I263-F272 HydrophobicContact CG2-CG 4.24Å; I263-F272 HydrophobicContact CG2-CZ 3.7Å
264W88.8Confident85.5Confident147 Ų14772.1 Ų72.156%0.55734%0.34SS*.Iπ-helixtrans-63.6-47179.8-173.9-80.9000112.4A260 W261 K262 G268 F269 F272A260-W264 WeakPolarHBondContact O-CB 3.48Å; A260-W264 PolarHBondContact O-N 3.48Å; W261-W264 WeakPolarHBondContact O-CB 3.33Å; W261-W264 PolarHBondContact O-N 2.86Å; W261-W264 VanDerWaalsContact O-N 3.17Å; K262-W264 VanDerWaalsContact C-N 3.32Å; K262-W264 PolarHBondContact O-N 2.95Å; W264-G268 WeakPolarHBondContact O-CA 3.35Å; W264-G268 PolarHBondContact O-N 2.72Å; W264-F269 HydrophobicContact CE3-CD2 4.35Å; W264-F269 AromaticContact CH2-CD2 3.77Å; W264-F269 HydrophobicContact CH2-CD2 3.77Å; W264-F269 HydrophobicContact CH2-CE2 4.43Å; W264-F269 AromaticContact CZ3-CD2 3.48Å; W264-F269 HydrophobicContact CZ3-CD2 3.48Å; W264-F269 VanDerWaalsContact CZ3-CD2 3.48Å; W264-F269 HydrophobicContact CZ3-CE2 4.12Å; W264-F272 HydrophobicContact CB-CE2 4.08Å; W264-F272 HydrophobicContact CB-CZ 4.44Å; W264-F272 HydrophobicContact CE3-CD2 4.42Å; W264-F272 AromaticContact CE3-CE2 3.79Å; W264-F272 HydrophobicContact CE3-CE2 3.79Å
265T86.2Confident85.2Confident72 Ų7264.6 Ų64.644%0.44231%0.309SS..Iπ-helixtrans-77.7-38.8-175.6530000113.2W261 K262W261-T265 HydrophobicContact CD2-CG2 4.11Å; W261-T265 HydrophobicContact CG-CG2 4.47Å; W261-T265 HydrophobicContact CZ2-CG2 3.89Å; W261-T265 PolarHBondContact O-N 2.73Å; W261-T265 PolarHBondContact O-OG1 3Å; K262-T265 PolarHBondContact O-OG1 2.89Å
266E85.7Confident85.2Confident101 Ų10159.8 Ų59.847%0.47228%0.284SS..Iπ-helixtrans-94.2-37.7-173.8-62-178.2-177.900113.6K262K262-E266 WeakPolarHBondContact CE-OE1 3.2Å; K262-E266 WeakPolarHBondContact CE-OE2 3.44Å; K262-E266 VanDerWaalsContact CG-CD 3.48Å; K262-E266 HydrophobicContact CG-CG 4.16Å; K262-E266 WeakPolarHBondContact CG-OE1 3.3Å; K262-E266 IonicContact NZ-OE1 3.93Å; K262-E266 VanDerWaalsContact O-CB 3.29Å; K262-E266 WeakPolarHBondContact O-CB 3.19Å; K262-E266 PolarHBondContact O-N 3.39Å
267E80.2Confident85Confident13 Ų1364.1 Ų64.16%0.06131%0.31CS..Iπ-helixtrans-103.9-21.4-176-56.8-163.8-141.500113.5R50 R244 I263 A271 K274R50-E267 HydrophobicContact CB-CG 4.27Å; R50-E267 PolarHBondContact NH1-O 3.46Å; R244-E267 IonicContact CZ-OE1 3.21Å; R244-E267 IonicContact NE-OE1 2.7Å; R244-E267 IonicContact NH2-OE1 3.21Å; R244-E267 PolarHBondContact NH2-OE1 3.39Å; R244-E267 IonicContact NH2-OE2 3.79Å; R244-E267 PolarHBondContact NH2-OE2 3.22Å; I263-E267 WeakPolarHBondContact O-CA 3.13Å; I263-E267 WeakPolarHBondContact O-CB 3.35Å; I263-E267 PolarHBondContact O-N 3.26Å; E267-A271 HydrophobicContact CB-CB 3.35Å; E267-A271 HydrophobicContact CG-CB 4.31Å; E267-K274 IonicContact OE2-NZ 2.77Å; E267-K274 PolarHBondContact OE2-NZ 2.91Å
268G85.5Confident84.6Confident27 Ų2757.9 Ų57.928%0.27828%0.279SS..  trans83.8172.9-177.200000114.1I263 W264 F270 A271I263-G268 PolarHBondContact O-N 3.15Å; I263-G268 VanDerWaalsContact O-N 3.09Å; W264-G268 WeakPolarHBondContact O-CA 3.35Å; W264-G268 PolarHBondContact O-N 2.72Å; G268-F270 VanDerWaalsContact C-N 3.31Å; G268-F270 PolarHBondContact O-N 3.11Å; G268-A271 VanDerWaalsContact O-CB 3.26Å; G268-A271 WeakPolarHBondContact O-CB 3.35Å; G268-A271 PolarHBondContact O-N 3.31Å
269F83.2Confident84.3Confident98 Ų9857 Ų5743%0.4327%0.273SS..G310 helixtrans-53.6-40.9-174.7-179.5-107.4000114.4W264 A271 F272 Y273W264-F269 HydrophobicContact CE3-CD2 4.35Å; W264-F269 AromaticContact CH2-CD2 3.77Å; W264-F269 HydrophobicContact CH2-CD2 3.77Å; W264-F269 HydrophobicContact CH2-CE2 4.43Å; W264-F269 AromaticContact CZ3-CD2 3.48Å; W264-F269 HydrophobicContact CZ3-CD2 3.48Å; W264-F269 VanDerWaalsContact CZ3-CD2 3.48Å; W264-F269 HydrophobicContact CZ3-CE2 4.12Å; F269-A271 PolarHBondContact O-N 2.92Å; F269-A271 VanDerWaalsContact O-N 3.11Å; F269-F272 PolarHBondContact O-N 3.18Å; F269-Y273 HydrophobicContact CE1-CD2 4.27Å; F269-Y273 AromaticContact CE1-CE2 3.8Å; F269-Y273 HydrophobicContact CE1-CE2 3.8Å; F269-Y273 HydrophobicContact CE2-CE2 4.19Å; F269-Y273 HydrophobicContact CZ-CD2 4.42Å; F269-Y273 AromaticContact CZ-CE2 3.57Å; F269-Y273 HydrophobicContact CZ-CE2 3.57Å
270F83.8Confident84.1Confident178 Ų17859.4 Ų59.478%0.78129%0.285SS*.G310 helixtrans-64.9-17.1-178.2-67.1-70.2000114G268 F272 Y273G268-F270 VanDerWaalsContact C-N 3.31Å; G268-F270 PolarHBondContact O-N 3.11Å; F270-F272 VanDerWaalsContact C-N 3.28Å; F270-F272 PolarHBondContact O-N 3.5Å; F270-Y273 PolarHBondContact O-N 3.36Å
271A83.7Confident83.7Confident2 Ų259.7 Ų59.72%0.01729%0.291CS..G310 helixtrans-65.7-31.6176.600000112.7I263 E267 G268 F269 Y273 K274I263-A271 HydrophobicContact CG2-CB 3.65Å; E267-A271 HydrophobicContact CB-CB 3.35Å; E267-A271 HydrophobicContact CG-CB 4.31Å; G268-A271 VanDerWaalsContact O-CB 3.26Å; G268-A271 WeakPolarHBondContact O-CB 3.35Å; G268-A271 PolarHBondContact O-N 3.31Å; F269-A271 PolarHBondContact O-N 2.92Å; F269-A271 VanDerWaalsContact O-N 3.11Å; A271-Y273 PolarHBondContact O-N 3Å; A271-K274 WeakPolarHBondContact O-CB 3.33Å; A271-K274 PolarHBondContact O-N 3.11Å
272F85.9Confident83.2Confident19 Ų1953.7 Ų53.78%0.08327%0.268CS..G310 helixtrans-67.4-19.3176.1-72.2-78.6000113.9T236 P237 V240 V241 A260 I263 W264 F269 F270T236-F272 CarbonylContact C-O 3.47Å; T236-F272 WeakPolarHBondContact CG2-O 3.29Å; P237-F272 HydrophobicContact CB-CB 4.08Å; P237-F272 HydrophobicContact CB-CD1 3.94Å; P237-F272 HydrophobicContact CB-CG 4.36Å; P237-F272 HydrophobicContact CG-CB 4.28Å; V240-F272 VanDerWaalsContact CG2-O 3.29Å; V240-F272 WeakPolarHBondContact CG2-O 2.75Å; V241-F272 HydrophobicContact CG2-CD1 4.37Å; V241-F272 HydrophobicContact CG2-CE1 3.84Å; A260-F272 HydrophobicContact CB-CE1 4.31Å; A260-F272 HydrophobicContact CB-CZ 4.3Å; A260-F272 WeakPolarHBondContact O-CZ 3.44Å; I263-F272 HydrophobicContact CB-CE1 4.24Å; I263-F272 HydrophobicContact CB-CE2 4.19Å; I263-F272 HydrophobicContact CB-CZ 3.84Å; I263-F272 HydrophobicContact CD1-CE1 4.33Å; I263-F272 HydrophobicContact CG2-CD1 4.24Å; I263-F272 HydrophobicContact CG2-CD2 3.95Å; I263-F272 HydrophobicContact CG2-CE1 3.99Å; I263-F272 HydrophobicContact CG2-CE2 3.66Å; I263-F272 HydrophobicContact CG2-CG 4.24Å; I263-F272 HydrophobicContact CG2-CZ 3.7Å; W264-F272 HydrophobicContact CB-CE2 4.08Å; W264-F272 HydrophobicContact CB-CZ 4.44Å; W264-F272 HydrophobicContact CE3-CD2 4.42Å; W264-F272 AromaticContact CE3-CE2 3.79Å; W264-F272 HydrophobicContact CE3-CE2 3.79Å; F269-F272 PolarHBondContact O-N 3.18Å; F270-F272 VanDerWaalsContact C-N 3.28Å; F270-F272 PolarHBondContact O-N 3.5Å
273Y85.3Confident82.8Confident86 Ų8653.8 Ų53.834%0.33727%0.271SS..G310 helixtrans-102.38.6177.8-69.8-87.2000112.5Y233 F269 F270 A271 G275 T276Y233-Y273 HydrophobicContact CD1-CE1 4.46Å; F269-Y273 HydrophobicContact CE1-CD2 4.27Å; F269-Y273 AromaticContact CE1-CE2 3.8Å; F269-Y273 HydrophobicContact CE1-CE2 3.8Å; F269-Y273 HydrophobicContact CE2-CE2 4.19Å; F269-Y273 HydrophobicContact CZ-CD2 4.42Å; F269-Y273 AromaticContact CZ-CE2 3.57Å; F269-Y273 HydrophobicContact CZ-CE2 3.57Å; F270-Y273 PolarHBondContact O-N 3.36Å; A271-Y273 PolarHBondContact O-N 3Å; Y273-G275 PolarHBondContact O-N 2.97Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.22Å; Y273-T276 WeakPolarHBondContact O-CB 3.19Å; Y273-T276 PolarHBondContact O-N 3.16Å; Y273-T276 VanDerWaalsContact O-N 3.13Å; Y273-T276 PolarHBondContact O-OG1 3.04Å
274K76.2Confident82.5Confident37 Ų3756.9 Ų56.916%0.16129%0.292CS..THydrogen-bonded Turntrans-62.6131.6171.8-77.2177.8174.8179.70110.4D48 E267 A271 T276D48-K274 PolarHBondContact O-NZ 3.32Å; E267-K274 IonicContact OE2-NZ 2.77Å; E267-K274 PolarHBondContact OE2-NZ 2.91Å; A271-K274 WeakPolarHBondContact O-CB 3.33Å; A271-K274 PolarHBondContact O-N 3.11Å; K274-T276 VanDerWaalsContact C-N 3.32Å
275G76.2Confident81.9Confident9 Ų953.7 Ų53.79%0.09329%0.286CS..THydrogen-bonded Turntrans82.43-176.900000114.7Y273 V277 P278 R279Y273-G275 PolarHBondContact O-N 2.97Å; G275-V277 VanDerWaalsContact C-N 3.33Å; G275-V277 PolarHBondContact O-N 2.83Å; G275-P278 WeakPolarHBondContact O-CD 3.36Å; G275-R279 VanDerWaalsContact O-CB 3.24Å; G275-R279 WeakPolarHBondContact O-CB 3.37Å; G275-R279 PolarHBondContact O-N 2.86Å
276T82.9Confident81.5Confident14 Ų1452.4 Ų52.49%0.08628%0.276CS..Hα-helixtrans-57.4-45.1175.2-52.30000111.4V232 Y233 T236 Y273 K274 R279 L280V232-T276 HydrophobicContact CG1-CG2 4.22Å; Y233-T276 HydrophobicContact CD1-CG2 4.01Å; Y233-T276 HydrophobicContact CE1-CG2 3.75Å; T236-T276 WeakPolarHBondContact CG2-OG1 3.28Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.22Å; Y273-T276 WeakPolarHBondContact O-CB 3.19Å; Y273-T276 PolarHBondContact O-N 3.16Å; Y273-T276 VanDerWaalsContact O-N 3.13Å; Y273-T276 PolarHBondContact O-OG1 3.04Å; K274-T276 VanDerWaalsContact C-N 3.32Å; T276-R279 CarbonylContact O-C 3.59Å; T276-R279 WeakPolarHBondContact O-CB 3.49Å; T276-R279 PolarHBondContact O-N 3.42Å; T276-R279 VanDerWaalsContact O-N 3.16Å; T276-L280 WeakPolarHBondContact O-CB 3.17Å; T276-L280 PolarHBondContact O-N 3.3Å
277V83.2Confident81.1Confident113 Ų11349.9 Ų49.969%0.68527%0.267SS*.Hα-helixtrans-62.3-54.2-179.2172.80000111.9G275 R279 L280 G281G275-V277 VanDerWaalsContact C-N 3.33Å; G275-V277 PolarHBondContact O-N 2.83Å; V277-R279 PolarHBondContact O-N 3.13Å; V277-L280 PolarHBondContact O-N 3.17Å; V277-G281 PolarHBondContact O-N 3.26Å
278P80.3Confident80.9Confident15 Ų1552.6 Ų52.610%0.09729%0.287CS..Hα-helixtrans-54-37.7170.9-24.928.3000113.4T38 K42 L45 P60 G275 R282T38-P278 VanDerWaalsContact CG2-O 3.24Å; T38-P278 WeakPolarHBondContact CG2-O 3.32Å; K42-P278 HydrophobicContact CB-CB 3.99Å; L45-P278 HydrophobicContact CD1-CG 3.73Å; P60-P278 HydrophobicContact CB-CG 4.28Å; G275-P278 WeakPolarHBondContact O-CD 3.36Å; P278-R282 WeakPolarHBondContact O-CB 3.07Å; P278-R282 PolarHBondContact O-N 3.28Å
279R82.1Confident80.5Confident42 Ų4252.1 Ų52.116%0.15828%0.278CS..Hα-helixtrans-68.9-43.8179.9-177.953.1167-166.811.9112.2E39 K42 V232 D239 G275 T276 V277 R282 V283E39-R279 IonicContact OE1-NH1 3.8Å; E39-R279 PolarHBondContact OE1-NH1 2.89Å; E39-R279 VanDerWaalsContact OE1-NH1 3.16Å; K42-R279 HydrophobicContact CD-CB 4.17Å; V232-R279 HydrophobicContact CG1-CB 4.23Å; V232-R279 HydrophobicContact CG1-CG 3.72Å; V232-R279 HydrophobicContact CG2-CG 4.19Å; D239-R279 IonicContact OD2-NE 3.89Å; G275-R279 VanDerWaalsContact O-CB 3.24Å; G275-R279 WeakPolarHBondContact O-CB 3.37Å; G275-R279 PolarHBondContact O-N 2.86Å; T276-R279 CarbonylContact O-C 3.59Å; T276-R279 WeakPolarHBondContact O-CB 3.49Å; T276-R279 PolarHBondContact O-N 3.42Å; T276-R279 VanDerWaalsContact O-N 3.16Å; V277-R279 PolarHBondContact O-N 3.13Å; R279-R282 WeakPolarHBondContact O-CB 3.37Å; R279-R282 PolarHBondContact O-N 3.32Å; R279-V283 WeakPolarHBondContact O-CG2 3.33Å; R279-V283 PolarHBondContact O-N 2.81Å
280L82.9Confident80Confident51 Ų5149.4 Ų49.427%0.26727%0.271SS..Hα-helixtrans-64.5-45.6176.1-173.864.3000110.3A229 T276 V277 R282 V283 C284A229-L280 HydrophobicContact CB-CD1 4.38Å; T276-L280 WeakPolarHBondContact O-CB 3.17Å; T276-L280 PolarHBondContact O-N 3.3Å; V277-L280 PolarHBondContact O-N 3.17Å; L280-R282 VanDerWaalsContact C-N 3.28Å; L280-R282 PolarHBondContact O-N 2.89Å; L280-V283 PolarHBondContact O-N 2.9Å; L280-C284 PolarHBondContact O-N 3.13Å; L280-C284 PolarHBondContact O-SG 2.95Å; L280-C284 VanDerWaalsContact O-SG 3.4Å
281G80.3Confident79.5Confident32 Ų3247.4 Ų47.433%0.3326%0.263SS..Hα-helixtrans-56.6-42.1173.200000112.1V277 C284 L285V277-G281 PolarHBondContact O-N 3.26Å; G281-C284 PolarHBondContact O-N 2.91Å; G281-L285 WeakPolarHBondContact O-CB 3.17Å; G281-L285 VanDerWaalsContact O-CG 3.27Å; G281-L285 WeakPolarHBondContact O-CG 3.3Å; G281-L285 PolarHBondContact O-N 3.4Å
282R79.9Confident79.1Confident37 Ų3753.5 Ų53.514%0.1429%0.292CS..Hα-helixtrans-58.6-50.8171.5179.6-177.9164.888.214.6111.2T35 T38 E39 P278 R279 L280 C284 L285 D286T35-R282 VanDerWaalsContact CB-NH1 3.3Å; T35-R282 PolarHBondContact O-NH1 3.19Å; T35-R282 PolarHBondContact OG1-NH1 3.31Å; T38-R282 HydrophobicContact CG2-CB 3.72Å; E39-R282 WeakPolarHBondContact OE1-CD 3.48Å; E39-R282 IonicContact OE1-CZ 2.62Å; E39-R282 IonicContact OE1-NE 2.8Å; E39-R282 PolarHBondContact OE1-NE 3.46Å; P278-R282 WeakPolarHBondContact O-CB 3.07Å; P278-R282 PolarHBondContact O-N 3.28Å; R279-R282 WeakPolarHBondContact O-CB 3.37Å; R279-R282 PolarHBondContact O-N 3.32Å; L280-R282 VanDerWaalsContact C-N 3.28Å; L280-R282 PolarHBondContact O-N 2.89Å; R282-C284 VanDerWaalsContact C-N 3.28Å; R282-C284 PolarHBondContact O-N 2.92Å; R282-L285 PolarHBondContact O-N 3.41Å; R282-D286 IonicContact CZ-OD1 2.89Å; R282-D286 IonicContact NH2-OD1 3.98Å; R282-D286 PolarHBondContact NH2-OD1 3.47Å; R282-D286 WeakPolarHBondContact O-CB 3.49Å; R282-D286 PolarHBondContact O-N 3.46Å
283V80.4Confident78.4Confident34 Ų3453.6 Ų53.621%0.20629%0.293CS..Hα-helixtrans-60.1-41.1-178.1174.40000111.3V232 R279 L280 D286 V287V232-V283 HydrophobicContact CG2-CB 4.33Å; V232-V283 HydrophobicContact CG2-CG2 3.5Å; V232-V283 VanDerWaalsContact CG2-CG2 3.5Å; R279-V283 WeakPolarHBondContact O-CG2 3.33Å; R279-V283 PolarHBondContact O-N 2.81Å; L280-V283 PolarHBondContact O-N 2.9Å; V283-D286 PolarHBondContact O-N 2.79Å; V283-V287 VanDerWaalsContact O-CG2 3.27Å; V283-V287 WeakPolarHBondContact O-CG2 3.31Å; V283-V287 PolarHBondContact O-N 3.47Å
284C79.4Confident77.6Confident68 Ų6856.1 Ų56.146%0.45930%0.303SS..Hα-helixtrans-61.9-47.5174.6-64.80000111.7L280 G281 R282 V287 C288L280-C284 PolarHBondContact O-N 3.13Å; L280-C284 PolarHBondContact O-SG 2.95Å; L280-C284 VanDerWaalsContact O-SG 3.4Å; G281-C284 PolarHBondContact O-N 2.91Å; R282-C284 VanDerWaalsContact C-N 3.28Å; R282-C284 PolarHBondContact O-N 2.92Å; C284-V287 PolarHBondContact O-N 2.83Å; C284-C288 WeakPolarHBondContact O-CB 3.44Å; C284-C288 PolarHBondContact O-N 3.4Å; C284-C288 PolarHBondContact O-SG 3.02Å
285L77.8Confident77.4Confident79 Ų7958.7 Ų58.741%0.41432%0.319SS..Hα-helixtrans-62.7-44.5177.7-73.4172000112.1G281 R282 V287 C288 I289G281-L285 WeakPolarHBondContact O-CB 3.17Å; G281-L285 VanDerWaalsContact O-CG 3.27Å; G281-L285 WeakPolarHBondContact O-CG 3.3Å; G281-L285 PolarHBondContact O-N 3.4Å; R282-L285 PolarHBondContact O-N 3.41Å; L285-V287 VanDerWaalsContact C-N 3.35Å; L285-V287 PolarHBondContact O-N 3.49Å; L285-C288 PolarHBondContact O-N 3.36Å; L285-I289 HydrophobicContact CB-CD1 4.14Å; L285-I289 WeakPolarHBondContact O-CB 3.43Å; L285-I289 WeakPolarHBondContact O-CD1 3.29Å; L285-I289 WeakPolarHBondContact O-CG1 3.39Å; L285-I289 PolarHBondContact O-N 2.93Å
286D77.8Confident77.3Confident46 Ų4661.4 Ų61.425%0.24634%0.336CS..Hα-helixtrans-54.5-52176.9-162.994.2000109.3R282 V283 C288 I289 S290R282-D286 IonicContact CZ-OD1 2.89Å; R282-D286 IonicContact NH2-OD1 3.98Å; R282-D286 PolarHBondContact NH2-OD1 3.47Å; R282-D286 WeakPolarHBondContact O-CB 3.49Å; R282-D286 PolarHBondContact O-N 3.46Å; V283-D286 PolarHBondContact O-N 2.79Å; D286-C288 PolarHBondContact O-N 3.1Å; D286-I289 PolarHBondContact O-N 3.13Å; D286-S290 WeakPolarHBondContact O-CB 3.42Å; D286-S290 PolarHBondContact O-N 3.33Å; D286-S290 PolarHBondContact O-OG 3.19Å
287V76Confident76.5Confident47 Ų4762.2 Ų62.229%0.28534%0.339SS..Hα-helixtrans-60.3-49.5176.4174.30000111.9V283 C284 L285 I289 S290 F291V283-V287 VanDerWaalsContact O-CG2 3.27Å; V283-V287 WeakPolarHBondContact O-CG2 3.31Å; V283-V287 PolarHBondContact O-N 3.47Å; C284-V287 PolarHBondContact O-N 2.83Å; L285-V287 VanDerWaalsContact C-N 3.35Å; L285-V287 PolarHBondContact O-N 3.49Å; V287-I289 PolarHBondContact O-N 2.97Å; V287-S290 PolarHBondContact O-N 2.99Å; V287-F291 HydrophobicContact CG1-CD2 3.89Å; V287-F291 HydrophobicContact CG1-CE2 3.69Å; V287-F291 WeakPolarHBondContact O-CD2 3.35Å; V287-F291 PolarHBondContact O-N 3.02Å; V287-F291 VanDerWaalsContact O-N 3.14Å
288C76.5Confident75.7Confident70 Ų7059 Ų5947%0.47332%0.317SS..Hα-helixtrans-60.7-45.3179.6-69.60000112.3C284 L285 D286 F291 M292C284-C288 WeakPolarHBondContact O-CB 3.44Å; C284-C288 PolarHBondContact O-N 3.4Å; C284-C288 PolarHBondContact O-SG 3.02Å; L285-C288 PolarHBondContact O-N 3.36Å; D286-C288 PolarHBondContact O-N 3.1Å; C288-F291 PolarHBondContact O-N 3.41Å; C288-M292 VanDerWaalsContact O-CG 3.3Å; C288-M292 WeakPolarHBondContact O-CG 3.44Å; C288-M292 PolarHBondContact O-N 2.81Å
289I76.6Confident75.3Confident17 Ų1765 Ų659%0.08734%0.344CS..Hα-helixtrans-68.7-43.5-178.7-69.8163.8000110.2E31 I34 T35 L285 D286 V287 F291 M292 I293E31-I289 HydrophobicContact CB-CG2 4.39Å; E31-I289 HydrophobicContact CG-CG2 4.02Å; I34-I289 HydrophobicContact CB-CD1 4.1Å; I34-I289 HydrophobicContact CD1-CG2 4.36Å; I34-I289 HydrophobicContact CG2-CD1 3.39Å; I34-I289 HydrophobicContact CG2-CG1 4.29Å; T35-I289 HydrophobicContact CG2-CD1 3.67Å; L285-I289 HydrophobicContact CB-CD1 4.14Å; L285-I289 WeakPolarHBondContact O-CB 3.43Å; L285-I289 WeakPolarHBondContact O-CD1 3.29Å; L285-I289 WeakPolarHBondContact O-CG1 3.39Å; L285-I289 PolarHBondContact O-N 2.93Å; D286-I289 PolarHBondContact O-N 3.13Å; V287-I289 PolarHBondContact O-N 2.97Å; I289-F291 VanDerWaalsContact C-N 3.25Å; I289-F291 PolarHBondContact O-N 2.91Å; I289-M292 PolarHBondContact O-N 3.28Å; I289-I293 HydrophobicContact CG2-CD1 3.21Å; I289-I293 HydrophobicContact CG2-CG1 3.7Å; I289-I293 WeakPolarHBondContact O-CB 3.21Å; I289-I293 WeakPolarHBondContact O-CG1 3.5Å; I289-I293 PolarHBondContact O-N 2.98Å
290S73.1Confident74.8Confident42 Ų4266 Ų6629%0.29436%0.357SS..Hα-helixtrans-58.8-39.8176.6-61.70000110.9E31 D286 V287 Y294E31-S290 PolarHBondContact OE2-OG 3.29Å; D286-S290 WeakPolarHBondContact O-CB 3.42Å; D286-S290 PolarHBondContact O-N 3.33Å; D286-S290 PolarHBondContact O-OG 3.19Å; V287-S290 PolarHBondContact O-N 2.99Å; S290-Y294 WeakPolarHBondContact O-CB 3.36Å; S290-Y294 PolarHBondContact O-N 3.39Å; S290-Y294 VanDerWaalsContact O-N 3.1Å
291F72.4Confident74.1Confident136 Ų13664.8 Ų64.860%0.59635%0.35SS*.Hα-helixtrans-65.7-50.9172.7-78.8-65.2000112.2V287 C288 I289 D295V287-F291 HydrophobicContact CG1-CD2 3.89Å; V287-F291 HydrophobicContact CG1-CE2 3.69Å; V287-F291 WeakPolarHBondContact O-CD2 3.35Å; V287-F291 PolarHBondContact O-N 3.02Å; V287-F291 VanDerWaalsContact O-N 3.14Å; C288-F291 PolarHBondContact O-N 3.41Å; I289-F291 VanDerWaalsContact C-N 3.25Å; I289-F291 PolarHBondContact O-N 2.91Å; F291-D295 PolarHBondContact O-N 3.49Å
292M75.9Confident73.4Confident129 Ų12967.7 Ų67.764%0.63535%0.354SS*.Hα-helixtrans-64.8-45.9-176.5-71.3177.269.200113.5C288 I289 S296C288-M292 VanDerWaalsContact O-CG 3.3Å; C288-M292 WeakPolarHBondContact O-CG 3.44Å; C288-M292 PolarHBondContact O-N 2.81Å; I289-M292 PolarHBondContact O-N 3.28Å; M292-S296 VanDerWaalsContact O-CB 3.25Å; M292-S296 WeakPolarHBondContact O-CB 3.44Å; M292-S296 PolarHBondContact O-N 3.45Å; M292-S296 VanDerWaalsContact O-N 3.08Å; M292-S296 PolarHBondContact O-OG 3.35Å
293I72.4Confident73Confident22 Ų2273.5 Ų73.511%0.11338%0.381CS..Hα-helixtrans-72.4-41.1-178.9-62.8-177.9000110T27 I30 I34 I289 D295 S296 F297T27-I293 HydrophobicContact CG2-CB 4.5Å; T27-I293 HydrophobicContact CG2-CG2 3.74Å; I30-I293 HydrophobicContact CB-CD1 4.22Å; I30-I293 HydrophobicContact CG2-CD1 3.62Å; I34-I293 HydrophobicContact CD1-CD1 3.84Å; I289-I293 HydrophobicContact CG2-CD1 3.21Å; I289-I293 HydrophobicContact CG2-CG1 3.7Å; I289-I293 WeakPolarHBondContact O-CB 3.21Å; I289-I293 WeakPolarHBondContact O-CG1 3.5Å; I289-I293 PolarHBondContact O-N 2.98Å; I293-D295 VanDerWaalsContact C-N 3.31Å; I293-D295 PolarHBondContact O-N 3.48Å; I293-S296 PolarHBondContact O-N 3.06Å; I293-F297 HydrophobicContact CG2-CB 4.07Å; I293-F297 WeakPolarHBondContact O-CA 3.22Å; I293-F297 WeakPolarHBondContact O-CB 2.98Å; I293-F297 PolarHBondContact O-N 3.14Å
294Y68.4Low72.4Confident138 Ų13877.1 Ų77.154%0.54140%0.398SS..Hα-helixtrans-57.6-48.2-179-177.7-97.1000110.9S290 M298S290-Y294 WeakPolarHBondContact O-CB 3.36Å; S290-Y294 PolarHBondContact O-N 3.39Å; S290-Y294 VanDerWaalsContact O-N 3.1Å; Y294-M298 HydrophobicContact CD1-CG 4.36Å; Y294-M298 HydrophobicContact CD2-CG 4.38Å; Y294-M298 HydrophobicContact CE1-CG 4.1Å; Y294-M298 HydrophobicContact CE2-CG 4.12Å; Y294-M298 HydrophobicContact CE2-SD 4.47Å; Y294-M298 HydrophobicContact CG-CG 4.5Å; Y294-M298 VanDerWaalsContact O-CB 3.22Å; Y294-M298 WeakPolarHBondContact O-CB 3.12Å; Y294-M298 WeakPolarHBondContact O-CG 3.46Å; Y294-M298 PolarHBondContact O-N 2.9Å
295D71.2Confident71.5Confident91 Ų9178.8 Ų78.849%0.48739%0.394SS..Hα-helixtrans-66.3-51.1178.9-66.2-21.7000111.1F291 I293 F297 M298 E299F291-D295 PolarHBondContact O-N 3.49Å; I293-D295 VanDerWaalsContact C-N 3.31Å; I293-D295 PolarHBondContact O-N 3.48Å; D295-F297 VanDerWaalsContact C-N 3.34Å; D295-F297 PolarHBondContact O-N 3.42Å; D295-M298 PolarHBondContact O-N 2.91Å; D295-E299 WeakPolarHBondContact O-CG 3.38Å; D295-E299 PolarHBondContact O-N 2.86Å
296S73.2Confident70.7Confident66 Ų6679.4 Ų79.446%0.46240%0.398SS..Hα-helixtrans-63.4-37.9-178.3-55.70000113.2M292 I293 S300M292-S296 VanDerWaalsContact O-CB 3.25Å; M292-S296 WeakPolarHBondContact O-CB 3.44Å; M292-S296 PolarHBondContact O-N 3.45Å; M292-S296 VanDerWaalsContact O-N 3.08Å; M292-S296 PolarHBondContact O-OG 3.35Å; I293-S296 PolarHBondContact O-N 3.06Å; S296-S300 VanDerWaalsContact O-CB 3.32Å; S296-S300 WeakPolarHBondContact O-CB 3.4Å; S296-S300 PolarHBondContact O-N 2.9Å; S296-S300 PolarHBondContact O-OG 2.91Å
297F67.6Low69.6Low32 Ų3282.1 Ų82.114%0.1442%0.416CS..Hα-helixtrans-75.4-42179.5-173.3-88.6000110.6A23 V26 T27 I293 D295 E299 S300 F301A23-F297 HydrophobicContact CB-CD1 4.3Å; A23-F297 HydrophobicContact CB-CE1 3.56Å; A23-F297 HydrophobicContact CB-CZ 4.47Å; V26-F297 HydrophobicContact CB-CE2 4.03Å; V26-F297 HydrophobicContact CB-CZ 3.94Å; V26-F297 HydrophobicContact CG1-CD2 4.39Å; V26-F297 HydrophobicContact CG1-CE2 3.48Å; V26-F297 VanDerWaalsContact CG1-CE2 3.48Å; V26-F297 HydrophobicContact CG1-CZ 3.91Å; T27-F297 WeakPolarHBondContact OG1-CD1 3.34Å; I293-F297 HydrophobicContact CG2-CB 4.07Å; I293-F297 WeakPolarHBondContact O-CA 3.22Å; I293-F297 WeakPolarHBondContact O-CB 2.98Å; I293-F297 PolarHBondContact O-N 3.14Å; D295-F297 VanDerWaalsContact C-N 3.34Å; D295-F297 PolarHBondContact O-N 3.42Å; F297-E299 VanDerWaalsContact C-N 3.31Å; F297-E299 PolarHBondContact O-N 2.84Å; F297-S300 PolarHBondContact O-N 3.48Å; F297-F301 HydrophobicContact CD1-CB 4.13Å; F297-F301 HydrophobicContact CE1-CB 3.8Å; F297-F301 HydrophobicContact CE1-CD1 4.28Å; F297-F301 HydrophobicContact CE1-CD2 4.15Å; F297-F301 AromaticContact CE1-CG 3.87Å; F297-F301 HydrophobicContact CE1-CG 3.87Å; F297-F301 HydrophobicContact CZ-CB 4.27Å; F297-F301 HydrophobicContact CZ-CD2 4.11Å; F297-F301 HydrophobicContact CZ-CG 4.27Å; F297-F301 WeakPolarHBondContact O-CB 3.37Å; F297-F301 PolarHBondContact O-N 3.47Å
298M64.8Low68.3Low44 Ų4487.8 Ų87.822%0.21744%0.437CS..Hα-helixtrans-59.3-43.3173.9-75.2-66.510200111.2A23 Y294 D295 H302A23-M298 HydrophobicContact CB-CE 3.79Å; Y294-M298 HydrophobicContact CD1-CG 4.36Å; Y294-M298 HydrophobicContact CD2-CG 4.38Å; Y294-M298 HydrophobicContact CE1-CG 4.1Å; Y294-M298 HydrophobicContact CE2-CG 4.12Å; Y294-M298 HydrophobicContact CE2-SD 4.47Å; Y294-M298 HydrophobicContact CG-CG 4.5Å; Y294-M298 VanDerWaalsContact O-CB 3.22Å; Y294-M298 WeakPolarHBondContact O-CB 3.12Å; Y294-M298 WeakPolarHBondContact O-CG 3.46Å; Y294-M298 PolarHBondContact O-N 2.9Å; D295-M298 PolarHBondContact O-N 2.91Å; M298-H302 VanDerWaalsContact O-CB 3.29Å; M298-H302 WeakPolarHBondContact O-CB 3.16Å; M298-H302 PolarHBondContact O-CD2 3.4Å; M298-H302 PolarHBondContact O-N 3.27Å
299E73.4Confident66.8Low142 Ų14291 Ų9166%0.66444%0.443SS*.Hα-helixtrans-61.8-50.2174.8-73.8177.8-177.300112.4D295 F297 F301 K303D295-E299 WeakPolarHBondContact O-CG 3.38Å; D295-E299 PolarHBondContact O-N 2.86Å; F297-E299 VanDerWaalsContact C-N 3.31Å; F297-E299 PolarHBondContact O-N 2.84Å; E299-F301 VanDerWaalsContact C-N 3.33Å; E299-F301 PolarHBondContact O-N 3.24Å; E299-K303 WeakPolarHBondContact O-CB 3.27Å; E299-K303 PolarHBondContact O-N 3.1Å
300S71.1Confident65Low63 Ų6397.9 Ų97.944%0.44149%0.493SS..Hα-helixtrans-63.7-39.4179.8-61.80000112.2S296 F297 K303 I304S296-S300 VanDerWaalsContact O-CB 3.32Å; S296-S300 WeakPolarHBondContact O-CB 3.4Å; S296-S300 PolarHBondContact O-N 2.9Å; S296-S300 PolarHBondContact O-OG 2.91Å; F297-S300 PolarHBondContact O-N 3.48Å; S300-K303 PolarHBondContact O-N 3.03Å; S300-I304 WeakPolarHBondContact O-CD1 3.35Å; S300-I304 VanDerWaalsContact O-CG1 3.25Å; S300-I304 WeakPolarHBondContact O-CG1 3.45Å; S300-I304 PolarHBondContact O-N 3.47Å
301F67.2Low64.6Low26 Ų26100.7 Ų100.711%0.11450%0.503CS..Hα-helixtrans-77.6-34-176.9-173.5-118.9000112.6K19 A23 F297 E299 W305K19-F301 HydrophobicContact CB-CE1 4.41Å; K19-F301 HydrophobicContact CD-CE1 3.81Å; K19-F301 HydrophobicContact CD-CZ 4.35Å; K19-F301 HydrophobicContact CG-CD1 4.25Å; K19-F301 HydrophobicContact CG-CE1 3.16Å; K19-F301 HydrophobicContact CG-CZ 3.56Å; A23-F301 HydrophobicContact CB-CD1 4.11Å; A23-F301 HydrophobicContact CB-CE1 3.75Å; A23-F301 HydrophobicContact CB-CZ 4.25Å; F297-F301 HydrophobicContact CD1-CB 4.13Å; F297-F301 HydrophobicContact CE1-CB 3.8Å; F297-F301 HydrophobicContact CE1-CD1 4.28Å; F297-F301 HydrophobicContact CE1-CD2 4.15Å; F297-F301 AromaticContact CE1-CG 3.87Å; F297-F301 HydrophobicContact CE1-CG 3.87Å; F297-F301 HydrophobicContact CZ-CB 4.27Å; F297-F301 HydrophobicContact CZ-CD2 4.11Å; F297-F301 HydrophobicContact CZ-CG 4.27Å; F297-F301 WeakPolarHBondContact O-CB 3.37Å; F297-F301 PolarHBondContact O-N 3.47Å; E299-F301 VanDerWaalsContact C-N 3.33Å; E299-F301 PolarHBondContact O-N 3.24Å; F301-W305 VanDerWaalsContact O-CB 3.24Å; F301-W305 WeakPolarHBondContact O-CB 3.15Å; F301-W305 PolarHBondContact O-N 3.46Å
302H67.4Low64.2Low93 Ų9398.8 Ų98.843%0.43150%0.498SS..Hα-helixtrans-61.7-47.6166.3-75.5-173.5000110.2M298 I304 W305 D306M298-H302 VanDerWaalsContact O-CB 3.29Å; M298-H302 WeakPolarHBondContact O-CB 3.16Å; M298-H302 PolarHBondContact O-CD2 3.4Å; M298-H302 PolarHBondContact O-N 3.27Å; H302-I304 PolarHBondContact O-N 3.06Å; H302-W305 PolarHBondContact O-N 3.01Å; H302-D306 WeakPolarHBondContact O-CB 3.43Å; H302-D306 PolarHBondContact O-N 3.35Å
303K70.4Confident63.6Low158 Ų15897.2 Ų97.269%0.68749%0.491SS*.Hα-helixtrans-57.1-52.6177-165.2171.1-176.7174.50112.2E299 S300 W305 T307E299-K303 WeakPolarHBondContact O-CB 3.27Å; E299-K303 PolarHBondContact O-N 3.1Å; S300-K303 PolarHBondContact O-N 3.03Å; K303-W305 PolarHBondContact O-N 3.29Å; K303-T307 WeakPolarHBondContact O-CB 3.47Å; K303-T307 PolarHBondContact O-N 3.22Å; K303-T307 PolarHBondContact O-OG1 2.94Å
304I67.2Low63Low111 Ų111101.6 Ų101.657%0.56951%0.513SS*.Hα-helixtrans-66.4-38.2-176.7-67.1162.3000112.5S300 H302S300-I304 WeakPolarHBondContact O-CD1 3.35Å; S300-I304 VanDerWaalsContact O-CG1 3.25Å; S300-I304 WeakPolarHBondContact O-CG1 3.45Å; S300-I304 PolarHBondContact O-N 3.47Å; H302-I304 PolarHBondContact O-N 3.06Å
305W62Low62.7Low102 Ų10299.3 Ų99.339%0.38651%0.511SS..Hα-helixtrans-83.7-35.6-176-165.2-83.8000113.1K19 F301 H302 K303 T307 K308K19-W305 HydrophobicContact CD-CG 4.49Å; F301-W305 VanDerWaalsContact O-CB 3.24Å; F301-W305 WeakPolarHBondContact O-CB 3.15Å; F301-W305 PolarHBondContact O-N 3.46Å; H302-W305 PolarHBondContact O-N 3.01Å; K303-W305 PolarHBondContact O-N 3.29Å; W305-T307 VanDerWaalsContact C-N 3.32Å; W305-K308 PolarHBondContact O-N 3.35Å
306D61.1Low62.2Low93 Ų9399.9 Ų99.950%0.49751%0.513SS..Hα-helixtrans-71.4-30.4176.8-64.1-20.6000111H302 K308 K309H302-D306 WeakPolarHBondContact O-CB 3.43Å; H302-D306 PolarHBondContact O-N 3.35Å; D306-K308 PolarHBondContact O-N 2.87Å; D306-K309 PolarHBondContact O-N 3.18Å; D306-K309 VanDerWaalsContact O-N 3.16Å
307T53.1Low61.4Low102 Ų102102.3 Ų102.363%0.62652%0.516SS*.THydrogen-bonded Turntrans-66.2-18.8171.6-41.80000112.9K303 W305K303-T307 WeakPolarHBondContact O-CB 3.47Å; K303-T307 PolarHBondContact O-N 3.22Å; K303-T307 PolarHBondContact O-OG1 2.94Å; W305-T307 VanDerWaalsContact C-N 3.32Å
308K48.5Very low60.9Low166 Ų166107.7 Ų107.772%0.72255%0.545SS*.THydrogen-bonded Turntrans-89-5.9175.4-79.9-170.8176.4-1730114.1W305 D306W305-K308 PolarHBondContact O-N 3.35Å; D306-K308 PolarHBondContact O-N 2.87Å
309K46.5Very low60.6Low137 Ų137113 Ų11360%0.59657%0.573SS**  trans-107.20.2179.3-81.4-166.7175.4-172.60113.9E15 D306E15-K309 IonicContact OE2-NZ 2.87Å; E15-K309 PolarHBondContact OE2-NZ 3.02Å; D306-K309 PolarHBondContact O-N 3.18Å; D306-K309 VanDerWaalsContact O-N 3.16Å
310S38.7Very low59.4Low163 Ų163110.4 Ų110.4100%1.1456%0.564SS**  trans-100.70165-1720000110.6

Retrieved 310 of 310 residues in 137.5 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).