X2JFX0_DROME Loading...

Ubiquitin-conjugating enzyme E2 S

AlphaFold DB (Q9VX25), UniProt , Accession X2JFX0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ube2S, Length 209 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
1M33.8Very low62.2Low245 Ų245109.1 Ų109.1100%1.20757%0.568SS**  091.10-71.8-179.4175.600108.1
2S43.3Very low64.5Low105 Ų105104.2 Ų104.273%0.73455%0.55SS*.  trans-93.8102.6166.744.50000106.1Q4S2-Q4 PolarHBondContact O-N 2.65Å
3S45.8Very low66.4Low85 Ų85102.5 Ų102.559%0.59455%0.549SS*.  trans-52.7107.4168.1-58.50000107.2Y5S3-Y5 WeakPolarHBondContact O-CD2 3.19Å; S3-Y5 PolarHBondContact O-N 3.32Å
4Q55Low68.2Low147 Ų147105.4 Ų105.469%0.68756%0.557SS**  trans-71.291.9170.1-66.8-175.93.400105S2 S6S2-Q4 PolarHBondContact O-N 2.65Å; Q4-S6 PolarHBondContact O-N 2.98Å
5Y58.1Low69.7Low196 Ų19699.3 Ų99.377%0.76953%0.526SS*.  trans-62.8117.7171.8-72.3-84.9000107.1S3S3-Y5 WeakPolarHBondContact O-CD2 3.19Å; S3-Y5 PolarHBondContact O-N 3.32Å
6S64.7Low71.1Confident50 Ų5094.8 Ų94.835%0.3550%0.502SS..  trans-59.4135.5168.854.10000108Q4 V8 D42Q4-S6 PolarHBondContact O-N 2.98Å; S6-V8 PolarHBondContact O-N 3.43Å; S6-D42 WeakPolarHBondContact CA-OD2 3.47Å; S6-D42 WeakPolarHBondContact CB-OD2 3.28Å
7N73.4Confident72.3Confident34 Ų3496.8 Ų96.818%0.18250%0.501CS..SBendtrans-87.36.7177.5-73.3-58.6000112.1E9 N10 L11 T44 T68N7-E9 PolarHBondContact O-N 3.26Å; N7-N10 PolarHBondContact O-N 2.96Å; N7-N10 PolarHBondContact OD1-ND2 3.39Å; N7-L11 PolarHBondContact O-N 3.3Å; N7-T44 HydrophobicContact CB-CG2 4.45Å; N7-T44 PolarHBondContact N-OG1 3.32Å; N7-T68 WeakPolarHBondContact ND2-CG2 3.42Å
8V68.4Low73.4Confident55 Ų5594.4 Ų94.433%0.33349%0.487SS..G310 helixtrans-52.6-40.1179.51790000110.8S6 N10 I16 D42 T44S6-V8 PolarHBondContact O-N 3.43Å; V8-N10 VanDerWaalsContact C-N 3.26Å; V8-N10 PolarHBondContact O-N 3.49Å; V8-I16 HydrophobicContact CG1-CD1 4.08Å; V8-D42 VanDerWaalsContact CG2-OD1 3.29Å; V8-D42 WeakPolarHBondContact CG2-OD1 3.28Å; V8-T44 HydrophobicContact CB-CG2 4.34Å; V8-T44 HydrophobicContact CG2-CG2 3.7Å
9E72Confident74.5Confident178 Ų17889.5 Ų89.583%0.83246%0.462SS*.G310 helixtrans-71.3-19.6-179.6-59.7-176.4158.100113.6N7N7-E9 PolarHBondContact O-N 3.26Å
10N82.5Confident75.4Confident91 Ų9188.8 Ų88.849%0.48746%0.457SS..G310 helixtrans-95-6.6-176.5-68.5-45.9000113.5N7 V8 K71N7-N10 PolarHBondContact O-N 2.96Å; N7-N10 PolarHBondContact OD1-ND2 3.39Å; V8-N10 VanDerWaalsContact C-N 3.26Å; V8-N10 PolarHBondContact O-N 3.49Å; N10-K71 HydrophobicContact CB-CB 4.47Å; N10-K71 WeakPolarHBondContact O-CA 3.45Å; N10-K71 WeakPolarHBondContact O-CB 3.4Å
11L87.3Confident76.2Confident14 Ų1491.4 Ų91.47%0.07346%0.461CS..SBendtrans-111.6147.1-175-63.5176.7000111.5N7 T15 I16 T44 L69 N70 F73N7-L11 PolarHBondContact O-N 3.3Å; L11-T15 HydrophobicContact CD2-CG2 4.33Å; L11-I16 HydrophobicContact CB-CD1 4.19Å; L11-I16 HydrophobicContact CB-CG1 3.83Å; L11-I16 HydrophobicContact CD1-CG1 4.4Å; L11-T44 HydrophobicContact CD1-CG2 3.58Å; L11-L69 HydrophobicContact CD1-CB 3.82Å; L11-L69 HydrophobicContact CD1-CD1 3.65Å; L11-L69 HydrophobicContact CD1-CG 4.34Å; L11-L69 HydrophobicContact CD2-CB 4.13Å; L11-N70 WeakPolarHBondContact CD2-O 3.43Å; L11-F73 HydrophobicContact CD2-CB 4.5Å
12S90.1Very high79.1Confident50 Ų5081.3 Ų81.335%0.3541%0.411SS..  trans-65.5147.4173.988.10000110.9Q14 T15 I16S12-Q14 PolarHBondContact O-N 3.47Å; S12-Q14 VanDerWaalsContact O-N 3.12Å; S12-Q14 PolarHBondContact OG-N 3.49Å; S12-T15 WeakPolarHBondContact O-CB 3.43Å; S12-T15 PolarHBondContact O-N 3.41Å; S12-T15 WeakPolarHBondContact OG-CB 3.36Å; S12-T15 PolarHBondContact OG-N 2.93Å; S12-T15 PolarHBondContact OG-OG1 3.12Å; S12-I16 WeakPolarHBondContact O-CG1 3.49Å; S12-I16 PolarHBondContact O-N 3.45Å
13P89Confident81.6Confident83 Ų8376.8 Ų76.854%0.53938%0.379SS..Hα-helixtrans-57.4-28.2174.6-26.834.8000113.6R17P13-R17 WeakPolarHBondContact O-CG 3.48Å; P13-R17 PolarHBondContact O-N 3.2Å; P13-R17 VanDerWaalsContact O-N 3.11Å; P13-R17 PolarHBondContact O-NH1 3Å
14Q91.3Very high83.8Confident142 Ų14278 Ų7866%0.66438%0.375SS*.Hα-helixtrans-69.4-45.8175.8-66.8177.8-7.500111.1S12 R17 Q18S12-Q14 PolarHBondContact O-N 3.47Å; S12-Q14 VanDerWaalsContact O-N 3.12Å; S12-Q14 PolarHBondContact OG-N 3.49Å; Q14-R17 PolarHBondContact O-N 3.05Å; Q14-Q18 WeakPolarHBondContact O-CB 3.45Å; Q14-Q18 PolarHBondContact O-N 3.27Å
15T91.7Very high85.7Confident14 Ų1476.5 Ų76.59%0.08637%0.368CS..Hα-helixtrans-59.1-46.3175.1-54.10000111L11 S12 R17 Q18 V19 F73L11-T15 HydrophobicContact CD2-CG2 4.33Å; S12-T15 WeakPolarHBondContact O-CB 3.43Å; S12-T15 PolarHBondContact O-N 3.41Å; S12-T15 WeakPolarHBondContact OG-CB 3.36Å; S12-T15 PolarHBondContact OG-N 2.93Å; S12-T15 PolarHBondContact OG-OG1 3.12Å; T15-R17 PolarHBondContact O-N 3.44Å; T15-Q18 WeakPolarHBondContact O-CB 3.35Å; T15-Q18 PolarHBondContact O-N 3.03Å; T15-V19 HydrophobicContact CG2-CG2 4.46Å; T15-V19 VanDerWaalsContact O-CG2 3.29Å; T15-V19 WeakPolarHBondContact O-CG2 3.48Å; T15-V19 PolarHBondContact O-N 3.49Å; T15-F73 HydrophobicContact CG2-CD1 3.49Å; T15-F73 VanDerWaalsContact CG2-CD1 3.49Å; T15-F73 HydrophobicContact CG2-CE1 3.97Å
16I91.3Very high87.5Confident27 Ų2767.4 Ų67.414%0.13833%0.332CS..Hα-helixtrans-59.5-49178.1-65.3167.7000110.7V8 L11 S12 Q18 V19 M20 V43V8-I16 HydrophobicContact CG1-CD1 4.08Å; L11-I16 HydrophobicContact CB-CD1 4.19Å; L11-I16 HydrophobicContact CB-CG1 3.83Å; L11-I16 HydrophobicContact CD1-CG1 4.4Å; S12-I16 WeakPolarHBondContact O-CG1 3.49Å; S12-I16 PolarHBondContact O-N 3.45Å; I16-Q18 VanDerWaalsContact C-N 3.3Å; I16-Q18 PolarHBondContact O-N 3.25Å; I16-V19 PolarHBondContact O-N 3.33Å; I16-M20 HydrophobicContact CG2-CG 4.49Å; I16-M20 HydrophobicContact CG2-SD 4.1Å; I16-M20 WeakPolarHBondContact O-CG 3.38Å; I16-M20 PolarHBondContact O-N 3Å; I16-V43 HydrophobicContact CG2-CG2 3.68Å
17R91.8Very high88.9Confident129 Ų12970.7 Ų70.749%0.48734%0.342SS..Hα-helixtrans-61.9-36.9177.2-75.5-170.9-63.7-90.84.3112.6P13 Q14 T15 R21P13-R17 WeakPolarHBondContact O-CG 3.48Å; P13-R17 PolarHBondContact O-N 3.2Å; P13-R17 VanDerWaalsContact O-N 3.11Å; P13-R17 PolarHBondContact O-NH1 3Å; Q14-R17 PolarHBondContact O-N 3.05Å; T15-R17 PolarHBondContact O-N 3.44Å; R17-R21 WeakPolarHBondContact O-CG 3.15Å; R17-R21 PolarHBondContact O-N 2.85Å; R17-R21 PolarHBondContact O-NH1 2.86Å
18Q92.6Very high89.9Confident54 Ų5474.2 Ų74.225%0.25237%0.365SS..Hα-helixtrans-63.3-52175.6176-176.4-16.200110.7Q14 T15 I16 M20 R21 E22Q14-Q18 WeakPolarHBondContact O-CB 3.45Å; Q14-Q18 PolarHBondContact O-N 3.27Å; T15-Q18 WeakPolarHBondContact O-CB 3.35Å; T15-Q18 PolarHBondContact O-N 3.03Å; I16-Q18 VanDerWaalsContact C-N 3.3Å; I16-Q18 PolarHBondContact O-N 3.25Å; Q18-M20 VanDerWaalsContact C-N 3.32Å; Q18-M20 PolarHBondContact O-N 3.06Å; Q18-R21 PolarHBondContact O-N 2.91Å; Q18-R21 VanDerWaalsContact O-N 3.14Å; Q18-E22 VanDerWaalsContact CG-OE1 3.32Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.25Å; Q18-E22 PolarHBondContact NE2-OE1 3.01Å; Q18-E22 PolarHBondContact O-N 3.17Å
19V93.2Very high91.2Very high2 Ų275.9 Ų75.91%0.01238%0.376CS..Hα-helixtrans-57.5-45.8179.2169.40000111T15 I16 R21 E22 L23 I46 L69 F73T15-V19 HydrophobicContact CG2-CG2 4.46Å; T15-V19 VanDerWaalsContact O-CG2 3.29Å; T15-V19 WeakPolarHBondContact O-CG2 3.48Å; T15-V19 PolarHBondContact O-N 3.49Å; I16-V19 PolarHBondContact O-N 3.33Å; V19-R21 VanDerWaalsContact C-N 3.34Å; V19-R21 PolarHBondContact O-N 3.34Å; V19-E22 PolarHBondContact O-N 3.21Å; V19-L23 HydrophobicContact CG1-CD1 3.93Å; V19-L23 HydrophobicContact CG1-CG 4.29Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.49Å; V19-L23 PolarHBondContact O-N 3.33Å; V19-I46 HydrophobicContact CG1-CD1 3.63Å; V19-I46 HydrophobicContact CG1-CG1 4.35Å; V19-L69 HydrophobicContact CB-CD1 4.44Å; V19-L69 HydrophobicContact CG1-CD1 4.14Å; V19-L69 HydrophobicContact CG2-CD1 3.61Å; V19-F73 HydrophobicContact CG2-CD1 4.39Å; V19-F73 HydrophobicContact CG2-CE1 3.66Å; V19-F73 HydrophobicContact CG2-CZ 4.41Å
20M92.4Very high92.3Very high74 Ų7471 Ų7137%0.36536%0.359SS..Hα-helixtrans-57.9-44.6177-72.4177.772.700112.5I16 Q18 L23 Q24 V43I16-M20 HydrophobicContact CG2-CG 4.49Å; I16-M20 HydrophobicContact CG2-SD 4.1Å; I16-M20 WeakPolarHBondContact O-CG 3.38Å; I16-M20 PolarHBondContact O-N 3Å; Q18-M20 VanDerWaalsContact C-N 3.32Å; Q18-M20 PolarHBondContact O-N 3.06Å; M20-L23 PolarHBondContact O-N 3.23Å; M20-Q24 WeakPolarHBondContact O-CG 2.98Å; M20-Q24 PolarHBondContact O-N 3.02Å; M20-V43 HydrophobicContact CE-CG1 4.12Å; M20-V43 HydrophobicContact CG-CB 3.86Å; M20-V43 HydrophobicContact CG-CG1 3.72Å; M20-V43 HydrophobicContact CG-CG2 4.04Å; M20-V43 HydrophobicContact SD-CB 4.49Å; M20-V43 HydrophobicContact SD-CG1 3.98Å; M20-V43 HydrophobicContact SD-CG2 4.28Å
21R93.5Very high92.9Very high145 Ų14567.4 Ų67.455%0.54734%0.341SS..Hα-helixtrans-62.9-44.1176.5-73.1-168.2-53.6-86.31.7111.8R17 Q18 V19 L23 Q24 E25R17-R21 WeakPolarHBondContact O-CG 3.15Å; R17-R21 PolarHBondContact O-N 2.85Å; R17-R21 PolarHBondContact O-NH1 2.86Å; Q18-R21 PolarHBondContact O-N 2.91Å; Q18-R21 VanDerWaalsContact O-N 3.14Å; V19-R21 VanDerWaalsContact C-N 3.34Å; V19-R21 PolarHBondContact O-N 3.34Å; R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 3.34Å; R21-Q24 PolarHBondContact O-N 3.21Å; R21-E25 WeakPolarHBondContact O-CB 3.16Å; R21-E25 PolarHBondContact O-N 3.29Å
22E94.6Very high93.4Very high32 Ų3274.9 Ų74.915%0.1538%0.376CS..Hα-helixtrans-61.4-42.1177.5-70.9-179-147.900111.7Q18 V19 E25 M26 G111 I112Q18-E22 VanDerWaalsContact CG-OE1 3.32Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.25Å; Q18-E22 PolarHBondContact NE2-OE1 3.01Å; Q18-E22 PolarHBondContact O-N 3.17Å; V19-E22 PolarHBondContact O-N 3.21Å; E22-E25 PolarHBondContact O-N 3.37Å; E22-M26 WeakPolarHBondContact O-CB 3.32Å; E22-M26 VanDerWaalsContact O-CG 3.28Å; E22-M26 WeakPolarHBondContact O-CG 3.4Å; E22-M26 PolarHBondContact O-N 3.01Å; E22-G111 WeakPolarHBondContact OE2-CA 3.2Å; E22-I112 PolarHBondContact OE2-N 3.44Å
23L94.4Very high93.7Very high11 Ų1173.4 Ų73.46%0.05837%0.368CS..Hα-helixtrans-65.9-42.2177.7-66.4174.8000112.3V19 M20 R21 M26 E27 V36 I38 I46 I112V19-L23 HydrophobicContact CG1-CD1 3.93Å; V19-L23 HydrophobicContact CG1-CG 4.29Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.49Å; V19-L23 PolarHBondContact O-N 3.33Å; M20-L23 PolarHBondContact O-N 3.23Å; R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 3.34Å; L23-M26 PolarHBondContact O-N 3.27Å; L23-E27 PolarHBondContact O-N 3.44Å; L23-V36 HydrophobicContact CD2-CG1 4.43Å; L23-I38 HydrophobicContact CB-CD1 4.4Å; L23-I38 HydrophobicContact CB-CG1 4.46Å; L23-I46 HydrophobicContact CD1-CG1 4.14Å; L23-I46 HydrophobicContact CD2-CG2 3.87Å; L23-I112 HydrophobicContact CD2-CG2 4.22Å
24Q93.4Very high94.1Very high111 Ų11169.8 Ų69.852%0.51934%0.344SS..Hα-helixtrans-64.5-40.6175.8-73.9178.8-3400112M20 R21 M26 E27 T28M20-Q24 WeakPolarHBondContact O-CG 2.98Å; M20-Q24 PolarHBondContact O-N 3.02Å; R21-Q24 PolarHBondContact O-N 3.21Å; Q24-M26 VanDerWaalsContact C-N 3.31Å; Q24-M26 PolarHBondContact O-N 3.18Å; Q24-E27 PolarHBondContact O-N 3.33Å; Q24-T28 WeakPolarHBondContact O-CG2 3.44Å; Q24-T28 PolarHBondContact O-N 3.08Å; Q24-T28 PolarHBondContact O-OG1 3.45Å; Q24-T28 VanDerWaalsContact O-OG1 3.11Å
25E95Very high94.4Very high114 Ų11469.5 Ų69.553%0.53334%0.341SS..Hα-helixtrans-61.4-42.7173.8-172.7-174163.300110.8R21 E22 E27 T28 T29R21-E25 WeakPolarHBondContact O-CB 3.16Å; R21-E25 PolarHBondContact O-N 3.29Å; E22-E25 PolarHBondContact O-N 3.37Å; E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.4Å; E25-T28 PolarHBondContact O-N 2.9Å; E25-T28 PolarHBondContact O-OG1 3.4Å; E25-T29 PolarHBondContact O-N 3.1Å
26M95.2Very high94.7Very high5 Ų569.4 Ų69.43%0.02534%0.34CS..Hα-helixtrans-69.7-24.8176.4-72.4-174.868.800114E22 L23 Q24 P30 P31 I34 V36 I112 K113 L116E22-M26 WeakPolarHBondContact O-CB 3.32Å; E22-M26 VanDerWaalsContact O-CG 3.28Å; E22-M26 WeakPolarHBondContact O-CG 3.4Å; E22-M26 PolarHBondContact O-N 3.01Å; L23-M26 PolarHBondContact O-N 3.27Å; Q24-M26 VanDerWaalsContact C-N 3.31Å; Q24-M26 PolarHBondContact O-N 3.18Å; M26-P30 WeakPolarHBondContact O-CA 3.27Å; M26-P30 WeakPolarHBondContact O-CB 3.44Å; M26-P31 HydrophobicContact CE-CG 3.72Å; M26-I34 HydrophobicContact CE-CG2 4.26Å; M26-V36 HydrophobicContact CB-CG1 3.85Å; M26-V36 HydrophobicContact CB-CG2 4.03Å; M26-V36 HydrophobicContact CE-CG1 3.51Å; M26-V36 HydrophobicContact SD-CG1 4.01Å; M26-I112 HydrophobicContact SD-CG2 4.35Å; M26-K113 HydrophobicContact CE-CB 4.28Å; M26-K113 HydrophobicContact CE-CG 4.46Å; M26-K113 HydrophobicContact CG-CB 4.26Å; M26-K113 VanDerWaalsContact SD-CA 3.6Å; M26-K113 HydrophobicContact SD-CB 3.67Å; M26-K113 HydrophobicContact SD-CG 4.36Å; M26-L116 HydrophobicContact CE-CD1 3.44Å; M26-L116 VanDerWaalsContact CE-CD1 3.44Å; M26-L116 HydrophobicContact SD-CD1 4.28Å
27E93.4Very high94.8Very high120 Ų12070.7 Ų70.756%0.56135%0.347SS*.Hα-helixtrans-73.9-42.9173.3-179.5175.3-135.800111.4L23 Q24 E25 V36 I38L23-E27 PolarHBondContact O-N 3.44Å; Q24-E27 PolarHBondContact O-N 3.33Å; E25-E27 VanDerWaalsContact C-N 3.31Å; E25-E27 PolarHBondContact O-N 3.4Å; E27-V36 HydrophobicContact CB-CG2 4.14Å; E27-I38 HydrophobicContact CB-CD1 3.93Å; E27-I38 HydrophobicContact CG-CD1 4.34Å; E27-I38 VanDerWaalsContact OE2-CD1 3.26Å; E27-I38 WeakPolarHBondContact OE2-CD1 3.48Å
28T94.9Very high94.6Very high107 Ų10767.5 Ų67.566%0.65634%0.339SS*.Hα-helixtrans-74.5-38.2178.955.30000112.9Q24 E25Q24-T28 WeakPolarHBondContact O-CG2 3.44Å; Q24-T28 PolarHBondContact O-N 3.08Å; Q24-T28 PolarHBondContact O-OG1 3.45Å; Q24-T28 VanDerWaalsContact O-OG1 3.11Å; E25-T28 PolarHBondContact O-N 2.9Å; E25-T28 PolarHBondContact O-OG1 3.4Å
29T95.4Very high94.3Very high91 Ų9167.5 Ų67.556%0.55834%0.34SS*.SBendtrans-12875179.2-50.50000109.9E25E25-T29 PolarHBondContact O-N 3.1Å
30P95.4Very high93.7Very high75 Ų7576.2 Ų76.249%0.48738%0.381SS..PPolyproline II helixtrans-64.3135.9-177.524.7-33.3000111.7M26 I34M26-P30 WeakPolarHBondContact O-CA 3.27Å; M26-P30 WeakPolarHBondContact O-CB 3.44Å; P30-I34 WeakPolarHBondContact CB-O 3.48Å
31P95.9Very high93.2Very high15 Ų1578.4 Ų78.410%0.09740%0.404CS..PPolyproline II helixtrans-60.1149.9168.1-15.227.9000110.4M26 G33 I34 K113 L117M26-P31 HydrophobicContact CE-CG 3.72Å; P31-G33 PolarHBondContact O-N 3.23Å; P31-G33 VanDerWaalsContact O-N 3.15Å; P31-I34 HydrophobicContact CB-CB 4.16Å; P31-I34 HydrophobicContact CB-CD1 4.25Å; P31-I34 HydrophobicContact CB-CG1 4.46Å; P31-I34 HydrophobicContact CG-CB 4.36Å; P31-I34 PolarHBondContact O-N 3.4Å; P31-K113 HydrophobicContact CG-CD 4.19Å; P31-K113 HydrophobicContact CG-CG 3.9Å; P31-L117 HydrophobicContact CB-CD2 4.21Å
32E96.3Very high92.7Very high172 Ų17272.9 Ų72.980%0.80439%0.385SS*.THydrogen-bonded Turntrans-52.9123.9-178.9-173.9-171.3170.300111.6I34 K120E32-I34 PolarHBondContact O-N 2.91Å; E32-K120 PolarHBondContact O-NZ 3.48Å
33G97.2Very high92Very high19 Ų1972.6 Ų72.620%0.19639%0.386CS..THydrogen-bonded Turntrans60.726.9-179.700000114.7P31 D51P31-G33 PolarHBondContact O-N 3.23Å; P31-G33 VanDerWaalsContact O-N 3.15Å; G33-D51 WeakPolarHBondContact CA-OD2 3.31Å; G33-D51 PolarHBondContact O-N 3.35Å
34I98.2Very high91.4Very high6 Ų672.3 Ų72.33%0.03138%0.384CS..EExtended strand (participates in β ladder)trans-131.3123.5172.8-57.2-178.2000108.4M26 P30 P31 E32 A48 L49 I50 L116 L117 K120M26-I34 HydrophobicContact CE-CG2 4.26Å; P30-I34 WeakPolarHBondContact CB-O 3.48Å; P31-I34 HydrophobicContact CB-CB 4.16Å; P31-I34 HydrophobicContact CB-CD1 4.25Å; P31-I34 HydrophobicContact CB-CG1 4.46Å; P31-I34 HydrophobicContact CG-CB 4.36Å; P31-I34 PolarHBondContact O-N 3.4Å; E32-I34 PolarHBondContact O-N 2.91Å; I34-A48 HydrophobicContact CG2-CB 4.38Å; I34-L49 CarbonylContact C-O 3.58Å; I34-L49 WeakPolarHBondContact CA-O 3.43Å; I34-I50 HydrophobicContact CG1-CG1 4.37Å; I34-I50 HydrophobicContact CG2-CG1 4.5Å; I34-L116 HydrophobicContact CD1-CB 4.01Å; I34-L116 HydrophobicContact CG2-CB 4.18Å; I34-L116 HydrophobicContact CG2-CD1 4.09Å; I34-L117 HydrophobicContact CD1-CD2 3.86Å; I34-L117 HydrophobicContact CD1-CG 4.26Å; I34-K120 HydrophobicContact CD1-CB 4.38Å; I34-K120 HydrophobicContact CD1-CD 4.24Å; I34-K120 HydrophobicContact CG1-CD 4.17Å
35K97.4Very high91Very high137 Ų13767.9 Ų67.960%0.59636%0.364SS*.EExtended strand (participates in β ladder)trans-120.6118.7174.9-179178.3-179.4178.50109.9A48 L49K35-A48 CarbonylContact O-C 3.47Å; K35-A48 VanDerWaalsContact O-CA 3.23Å; K35-A48 WeakPolarHBondContact O-CA 3.42Å; K35-L49 HydrophobicContact CB-CB 4.39Å; K35-L49 PolarHBondContact N-O 3.33Å; K35-L49 PolarHBondContact O-N 3.32Å
36V96.5Very high91Very high11 Ų1162.5 Ų62.57%0.06734%0.339CS..EExtended strand (participates in β ladder)trans-73.5147.5173.5-66.10000111L23 M26 E27 I38 L116L23-V36 HydrophobicContact CD2-CG1 4.43Å; M26-V36 HydrophobicContact CB-CG1 3.85Å; M26-V36 HydrophobicContact CB-CG2 4.03Å; M26-V36 HydrophobicContact CE-CG1 3.51Å; M26-V36 HydrophobicContact SD-CG1 4.01Å; E27-V36 HydrophobicContact CB-CG2 4.14Å; V36-I38 HydrophobicContact CG2-CG1 4.39Å; V36-L116 HydrophobicContact CG1-CD1 4.2Å
37L94.2Very high91.1Very high55 Ų5563 Ų6329%0.28834%0.341SS..EExtended strand (participates in β ladder)trans-113.4101173.2-55.4179000106.9Q47 L49L37-Q47 HydrophobicContact CB-CB 4.19Å; L37-Q47 HydrophobicContact CD1-CB 4.3Å; L37-Q47 PolarHBondContact N-O 3.31Å; L37-L49 HydrophobicContact CD1-CD2 4.16Å; L37-L49 HydrophobicContact CD1-CG 4.17Å; L37-L49 HydrophobicContact CD2-CD1 4.19Å; L37-L49 HydrophobicContact CD2-CG 4.19Å; L37-L49 HydrophobicContact CG-CG 4.32Å
38I87.2Confident91.3Very high61 Ų6157.4 Ų57.431%0.31332%0.315SS..  trans-78.1129.7-179-61.8-176.4000109.2L23 E27 V36L23-I38 HydrophobicContact CB-CD1 4.4Å; L23-I38 HydrophobicContact CB-CG1 4.46Å; E27-I38 HydrophobicContact CB-CD1 3.93Å; E27-I38 HydrophobicContact CG-CD1 4.34Å; E27-I38 VanDerWaalsContact OE2-CD1 3.26Å; E27-I38 WeakPolarHBondContact OE2-CD1 3.48Å; V36-I38 HydrophobicContact CG2-CG1 4.39Å
39N86.3Confident91.5Very high54 Ų5454.6 Ų54.629%0.28930%0.296SS..  trans-102107.6167.8-177.6-14.9000108.5S41 D42 D45N39-S41 PolarHBondContact O-N 2.94Å; N39-S41 WeakPolarHBondContact OD1-CB 3.29Å; N39-S41 PolarHBondContact OD1-N 3.39Å; N39-D42 WeakPolarHBondContact CB-O 3.34Å; N39-D42 CarbonylContact O-C 3.37Å; N39-D42 PolarHBondContact O-N 3.42Å; N39-D42 PolarHBondContact OD1-N 3.04Å; N39-D42 VanDerWaalsContact OD1-N 3.11Å; N39-D45 PolarHBondContact ND2-OD2 2.92Å
40E80.2Confident91.6Very high185 Ų18550.3 Ų50.386%0.86427%0.27SS*.SBendtrans-67.2-23.6-179.3-61.6-175.8161.100112.9
41S82.7Confident91.8Very high120 Ų12050.2 Ų50.284%0.83927%0.265SS*.SBendtrans-86-31.4-179.5-57.30000112.9N39N39-S41 PolarHBondContact O-N 2.94Å; N39-S41 WeakPolarHBondContact OD1-CB 3.29Å; N39-S41 PolarHBondContact OD1-N 3.39Å
42D82.6Confident91.9Very high29 Ų2950 Ų5016%0.15527%0.265CS..  trans-14296.1177.6-177.41.3000110.7S6 V8 N39 T44 D45S6-D42 WeakPolarHBondContact CA-OD2 3.47Å; S6-D42 WeakPolarHBondContact CB-OD2 3.28Å; V8-D42 VanDerWaalsContact CG2-OD1 3.29Å; V8-D42 WeakPolarHBondContact CG2-OD1 3.28Å; N39-D42 WeakPolarHBondContact CB-O 3.34Å; N39-D42 CarbonylContact O-C 3.37Å; N39-D42 PolarHBondContact O-N 3.42Å; N39-D42 PolarHBondContact OD1-N 3.04Å; N39-D42 VanDerWaalsContact OD1-N 3.11Å; D42-T44 PolarHBondContact O-N 2.82Å; D42-T44 VanDerWaalsContact O-N 3.11Å; D42-T44 WeakPolarHBondContact OD1-CA 3.47Å; D42-T44 WeakPolarHBondContact OD1-CB 3.41Å; D42-T44 PolarHBondContact OD1-N 3.07Å; D42-T44 PolarHBondContact OD1-OG1 3.43Å; D42-T44 PolarHBondContact OD2-OG1 2.89Å; D42-D45 HydrophobicContact CB-CB 4.34Å; D42-D45 PolarHBondContact O-N 3.34Å
43V80.2Confident92Very high27 Ų2742.4 Ų42.416%0.16423%0.231CC..THydrogen-bonded Turntrans-66.9-10.3178.8-60.10000113.6I16 M20I16-V43 HydrophobicContact CG2-CG2 3.68Å; M20-V43 HydrophobicContact CE-CG1 4.12Å; M20-V43 HydrophobicContact CG-CB 3.86Å; M20-V43 HydrophobicContact CG-CG1 3.72Å; M20-V43 HydrophobicContact CG-CG2 4.04Å; M20-V43 HydrophobicContact SD-CB 4.49Å; M20-V43 HydrophobicContact SD-CG1 3.98Å; M20-V43 HydrophobicContact SD-CG2 4.28Å
44T82.1Confident92Very high5 Ų546.1 Ų46.13%0.03126%0.26CS..THydrogen-bonded Turntrans-88.3-13.4174.372.50000113.1N7 V8 L11 D42 I46N7-T44 HydrophobicContact CB-CG2 4.45Å; N7-T44 PolarHBondContact N-OG1 3.32Å; V8-T44 HydrophobicContact CB-CG2 4.34Å; V8-T44 HydrophobicContact CG2-CG2 3.7Å; L11-T44 HydrophobicContact CD1-CG2 3.58Å; D42-T44 PolarHBondContact O-N 2.82Å; D42-T44 VanDerWaalsContact O-N 3.11Å; D42-T44 WeakPolarHBondContact OD1-CA 3.47Å; D42-T44 WeakPolarHBondContact OD1-CB 3.41Å; D42-T44 PolarHBondContact OD1-N 3.07Å; D42-T44 PolarHBondContact OD1-OG1 3.43Å; D42-T44 PolarHBondContact OD2-OG1 2.89Å; T44-I46 VanDerWaalsContact C-N 3.27Å; T44-I46 PolarHBondContact O-N 3Å; T44-I46 VanDerWaalsContact O-N 3.08Å
45D85.4Confident91.9Very high17 Ų1748.4 Ų48.49%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-82.771.7169.1-174.339000110.8N39 D42 Q47 K66N39-D45 PolarHBondContact ND2-OD2 2.92Å; D42-D45 HydrophobicContact CB-CB 4.34Å; D42-D45 PolarHBondContact O-N 3.34Å; D45-Q47 PolarHBondContact O-N 2.92Å; D45-Q47 PolarHBondContact OD1-NE2 3.34Å; D45-Q47 VanDerWaalsContact OD1-NE2 3.14Å; D45-Q47 PolarHBondContact OD2-NE2 3.33Å; D45-K66 WeakPolarHBondContact OD1-CE 3.4Å; D45-K66 IonicContact OD1-NZ 2.76Å; D45-K66 PolarHBondContact OD1-NZ 2.72Å
46I94.4Very high91.9Very high2 Ų242.1 Ų42.11%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-80.9120.7-177-58173.3000109.4V19 L23 T44 K66 L67 L69 I112V19-I46 HydrophobicContact CG1-CD1 3.63Å; V19-I46 HydrophobicContact CG1-CG1 4.35Å; L23-I46 HydrophobicContact CD1-CG1 4.14Å; L23-I46 HydrophobicContact CD2-CG2 3.87Å; T44-I46 VanDerWaalsContact C-N 3.27Å; T44-I46 PolarHBondContact O-N 3Å; T44-I46 VanDerWaalsContact O-N 3.08Å; I46-K66 CarbonylContact O-C 3.5Å; I46-K66 WeakPolarHBondContact O-CA 3.48Å; I46-L67 HydrophobicContact CB-CB 4.07Å; I46-L67 HydrophobicContact CG2-CB 4.14Å; I46-L67 HydrophobicContact CG2-CD1 4.02Å; I46-L67 HydrophobicContact CG2-CG 4.29Å; I46-L67 PolarHBondContact O-N 3.48Å; I46-L69 HydrophobicContact CD1-CD1 3.88Å; I46-L69 HydrophobicContact CD1-CD2 3.82Å; I46-L69 HydrophobicContact CD1-CG 3.91Å; I46-I112 HydrophobicContact CD1-CD1 3.77Å; I46-I112 HydrophobicContact CD1-CG1 4.18Å; I46-I112 HydrophobicContact CG2-CG2 4.1Å
47Q97.2Very high92Very high16 Ų1641.8 Ų41.88%0.07526%0.256CS..EExtended strand (participates in β ladder)trans-131.6152.3176-54.8-171.234.400111.3L37 D45 V65 K66L37-Q47 HydrophobicContact CB-CB 4.19Å; L37-Q47 HydrophobicContact CD1-CB 4.3Å; L37-Q47 PolarHBondContact N-O 3.31Å; D45-Q47 PolarHBondContact O-N 2.92Å; D45-Q47 PolarHBondContact OD1-NE2 3.34Å; D45-Q47 VanDerWaalsContact OD1-NE2 3.14Å; D45-Q47 PolarHBondContact OD2-NE2 3.33Å; Q47-V65 CarbonylContact C-O 3.52Å; Q47-V65 VanDerWaalsContact CA-O 3.22Å; Q47-V65 WeakPolarHBondContact CA-O 3.34Å; Q47-K66 HydrophobicContact CG-CB 4.22Å; Q47-K66 HydrophobicContact CG-CG 4.31Å
48A98Very high92.2Very high1 Ų139.2 Ų39.21%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-145.8153.5177.900000111.2I34 K35 R64 V65 L116I34-A48 HydrophobicContact CG2-CB 4.38Å; K35-A48 CarbonylContact O-C 3.47Å; K35-A48 VanDerWaalsContact O-CA 3.23Å; K35-A48 WeakPolarHBondContact O-CA 3.42Å; A48-R64 CarbonylContact O-C 3.58Å; A48-R64 WeakPolarHBondContact O-CA 3.41Å; A48-V65 PolarHBondContact N-O 2.76Å; A48-V65 PolarHBondContact O-N 2.66Å; A48-L116 HydrophobicContact CB-CD1 3.87Å; A48-L116 HydrophobicContact CB-CD2 3.74Å; A48-L116 HydrophobicContact CB-CG 4.46Å
49L98.2Very high92.7Very high49 Ų4937.8 Ų37.826%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-99.2128.6166.5-57.5178.7000108I34 K35 L37 I62 F63 R64I34-L49 CarbonylContact C-O 3.58Å; I34-L49 WeakPolarHBondContact CA-O 3.43Å; K35-L49 HydrophobicContact CB-CB 4.39Å; K35-L49 PolarHBondContact N-O 3.33Å; K35-L49 PolarHBondContact O-N 3.32Å; L37-L49 HydrophobicContact CD1-CD2 4.16Å; L37-L49 HydrophobicContact CD1-CG 4.17Å; L37-L49 HydrophobicContact CD2-CD1 4.19Å; L37-L49 HydrophobicContact CD2-CG 4.19Å; L37-L49 HydrophobicContact CG-CG 4.32Å; L49-I62 HydrophobicContact CB-CG2 3.88Å; L49-I62 HydrophobicContact CD1-CG2 4.43Å; L49-I62 HydrophobicContact CD2-CG2 4.26Å; L49-I62 HydrophobicContact CG-CG2 4.41Å; L49-F63 CarbonylContact C-O 3.43Å; L49-F63 WeakPolarHBondContact CA-O 3.21Å; L49-R64 HydrophobicContact CD2-CB 3.87Å; L49-R64 HydrophobicContact CD2-CG 4Å
50I98.6Very high93.2Very high0 Ų039.2 Ų39.20%026%0.26CS..EExtended strand (participates in β ladder)trans-118.2123.8178.4-60.6-179.3000108.6I34 F63 V65 L116 I119 K120 L123I34-I50 HydrophobicContact CG1-CG1 4.37Å; I34-I50 HydrophobicContact CG2-CG1 4.5Å; I50-F63 PolarHBondContact N-O 2.94Å; I50-F63 PolarHBondContact O-N 3.24Å; I50-V65 HydrophobicContact CD1-CB 4.47Å; I50-V65 HydrophobicContact CD1-CG2 3.94Å; I50-V65 HydrophobicContact CG1-CG2 4.47Å; I50-L116 HydrophobicContact CD1-CD2 4.34Å; I50-I119 HydrophobicContact CD1-CB 4.14Å; I50-I119 HydrophobicContact CD1-CG2 3.75Å; I50-K120 HydrophobicContact CG2-CB 3.86Å; I50-K120 HydrophobicContact CG2-CD 4.25Å; I50-K120 HydrophobicContact CG2-CG 3.87Å; I50-L123 HydrophobicContact CG2-CD1 4.38Å
51D98.3Very high94.1Very high73 Ų7330.5 Ų30.539%0.3922%0.219SC..EExtended strand (participates in β ladder)trans-71.8129.4173.9-65.2-17.4000109.9G33 P53G33-D51 WeakPolarHBondContact CA-OD2 3.31Å; G33-D51 PolarHBondContact O-N 3.35Å; D51-P53 VanDerWaalsContact O-CD 3.28Å; D51-P53 WeakPolarHBondContact O-CD 3.4Å
52G98.2Very high94.8Very high10 Ų1027.3 Ų27.310%0.10319%0.192CC..  trans-58.5115.9173.100000111.1Y58 G61G52-Y58 VanDerWaalsContact CA-O 3.28Å; G52-Y58 WeakPolarHBondContact CA-O 3.4Å; G52-G61 PolarHBondContact N-O 2.9Å
53P98.3Very high95.6Very high14 Ų1425.9 Ų25.99%0.09119%0.185CC..  trans-62.6141.7-171.9-25.435.3000112.8D51 T56 K120 L123 I124D51-P53 VanDerWaalsContact O-CD 3.28Å; D51-P53 WeakPolarHBondContact O-CD 3.4Å; P53-T56 HydrophobicContact CB-CG2 3.93Å; P53-T56 WeakPolarHBondContact O-CB 3.24Å; P53-T56 WeakPolarHBondContact O-CG2 3.28Å; P53-T56 PolarHBondContact O-N 2.83Å; P53-T56 PolarHBondContact O-OG1 2.89Å; P53-K120 HydrophobicContact CG-CG 3.92Å; P53-L123 HydrophobicContact CG-CB 4.12Å; P53-I124 HydrophobicContact CB-CD1 3.95Å; P53-I124 HydrophobicContact CB-CG1 3.63Å; P53-I124 HydrophobicContact CG-CD1 4.07Å; P53-I124 HydrophobicContact CG-CG1 3.64Å
54A96.9Very high96.5Very high96 Ų9629.7 Ų29.779%0.79320%0.196SC*.THydrogen-bonded Turntrans-58.4146.1176.400000111.9T56A54-T56 PolarHBondContact O-N 3.33Å
55G96.8Very high97.2Very high55 Ų5529.5 Ų29.557%0.56720%0.195SC*.THydrogen-bonded Turntrans74.27.6-178.400000114.8
56T98.3Very high97.8Very high5 Ų530.6 Ų30.63%0.03120%0.199CC..SBendtrans-106.8162.8171.376.30000110P53 A54 Y58 A59 L123 I124P53-T56 HydrophobicContact CB-CG2 3.93Å; P53-T56 WeakPolarHBondContact O-CB 3.24Å; P53-T56 WeakPolarHBondContact O-CG2 3.28Å; P53-T56 PolarHBondContact O-N 2.83Å; P53-T56 PolarHBondContact O-OG1 2.89Å; A54-T56 PolarHBondContact O-N 3.33Å; T56-Y58 PolarHBondContact O-N 3.32Å; T56-Y58 WeakPolarHBondContact OG1-CB 3.43Å; T56-Y58 PolarHBondContact OG1-N 2.95Å; T56-A59 WeakPolarHBondContact O-CB 3.29Å; T56-A59 PolarHBondContact O-N 3.34Å; T56-A59 PolarHBondContact OG1-N 3.34Å; T56-L123 WeakPolarHBondContact CG2-O 3.48Å; T56-I124 HydrophobicContact CG2-CB 4.46Å; T56-I124 HydrophobicContact CG2-CG1 4.25Å
57P98.4Very high97.9Very high4 Ų430.6 Ų30.63%0.02620%0.199CC..THydrogen-bonded Turntrans-63-14.2170.226.5-35000113.2Y147 S148 A151 R152P57-Y147 HydrophobicContact CG-CE1 4.27Å; P57-S148 WeakPolarHBondContact CB-O 3.39Å; P57-A151 HydrophobicContact CB-CB 3.69Å; P57-A151 HydrophobicContact CG-CB 3.79Å; P57-R152 HydrophobicContact CB-CB 4.37Å; P57-R152 WeakPolarHBondContact O-CA 3.45Å
58Y98.6Very high97.7Very high1 Ų131.4 Ų31.40%0.00421%0.205CC..THydrogen-bonded Turntrans-87.4-6.1179.7-49.6-66.4000113.4G52 T56 G61 F63 I86 F87 H88 L123 Y147 A151 T155G52-Y58 VanDerWaalsContact CA-O 3.28Å; G52-Y58 WeakPolarHBondContact CA-O 3.4Å; T56-Y58 PolarHBondContact O-N 3.32Å; T56-Y58 WeakPolarHBondContact OG1-CB 3.43Å; T56-Y58 PolarHBondContact OG1-N 2.95Å; Y58-G61 PolarHBondContact O-N 2.8Å; Y58-F63 HydrophobicContact CD1-CE1 4.47Å; Y58-F63 AromaticContact CD1-CZ 3.85Å; Y58-F63 HydrophobicContact CD1-CZ 3.85Å; Y58-F63 HydrophobicContact CG-CZ 4.25Å; Y58-I86 HydrophobicContact CD1-CD1 3.88Å; Y58-I86 HydrophobicContact CD1-CG1 4.12Å; Y58-I86 HydrophobicContact CE1-CD1 3.66Å; Y58-I86 HydrophobicContact CE1-CG1 3.68Å; Y58-F87 PolarHBondContact OH-O 2.71Å; Y58-H88 AromaticContact CE2-CD2 3.9Å; Y58-H88 AromaticContact CZ-CD2 3.64Å; Y58-H88 PolarHBondContact OH-CD2 3.06Å; Y58-L123 HydrophobicContact CD2-CB 3.79Å; Y58-L123 HydrophobicContact CD2-CD2 4.06Å; Y58-L123 HydrophobicContact CD2-CG 4.44Å; Y58-L123 VanDerWaalsContact CD2-O 3.29Å; Y58-L123 WeakPolarHBondContact CD2-O 3.33Å; Y58-L123 HydrophobicContact CE2-CB 4.28Å; Y58-L123 HydrophobicContact CE2-CD2 4.14Å; Y58-L123 WeakPolarHBondContact CE2-O 3.44Å; Y58-L123 HydrophobicContact CG-CB 4.45Å; Y58-L123 HydrophobicContact CG-CD2 4.28Å; Y58-Y147 PolarHBondContact OH-OH 3.38Å; Y58-A151 HydrophobicContact CE1-CB 4.02Å; Y58-T155 WeakPolarHBondContact O-CG2 3.29Å
59A97.9Very high97.4Very high30 Ų3031.4 Ų31.425%0.24821%0.205CC..THydrogen-bonded Turntrans-52.2143.3-17800000112.2T56 G61T56-A59 WeakPolarHBondContact O-CB 3.29Å; T56-A59 PolarHBondContact O-N 3.34Å; T56-A59 PolarHBondContact OG1-N 3.34Å; A59-G61 PolarHBondContact O-N 3.47Å
60A96.1Very high97Very high85 Ų8531.2 Ų31.270%0.70220%0.204SC*.THydrogen-bonded Turntrans66.2-1.4-173.700000115.9
61G98.3Very high96.6Very high2 Ų238.5 Ų38.52%0.02124%0.236CC..  trans-82.1151.8168.300000112.8G52 Y58 A59 A159G52-G61 PolarHBondContact N-O 2.9Å; Y58-G61 PolarHBondContact O-N 2.8Å; A59-G61 PolarHBondContact O-N 3.47Å; G61-A159 CarbonylContact C-O 3.56Å; G61-A159 VanDerWaalsContact CA-O 3.27Å; G61-A159 WeakPolarHBondContact CA-O 3.47Å
62I98.5Very high96.3Very high52 Ų5238.7 Ų38.727%0.26724%0.237SC..EExtended strand (participates in β ladder)trans-118.9120.6167.1-56.6-177.1000107.8L49 A159 P161L49-I62 HydrophobicContact CB-CG2 3.88Å; L49-I62 HydrophobicContact CD1-CG2 4.43Å; L49-I62 HydrophobicContact CD2-CG2 4.26Å; L49-I62 HydrophobicContact CG-CG2 4.41Å; I62-A159 PolarHBondContact N-O 2.77Å; I62-P161 HydrophobicContact CD1-CB 3.83Å
63F98.7Very high96.1Very high0 Ų038.5 Ų38.50%023%0.233CC..EExtended strand (participates in β ladder)trans-109.1121-174.8-60.8-89.4000110.6L49 I50 Y58 F82 T84 I86 L123 T155 A159L49-F63 CarbonylContact C-O 3.43Å; L49-F63 WeakPolarHBondContact CA-O 3.21Å; I50-F63 PolarHBondContact N-O 2.94Å; I50-F63 PolarHBondContact O-N 3.24Å; Y58-F63 HydrophobicContact CD1-CE1 4.47Å; Y58-F63 AromaticContact CD1-CZ 3.85Å; Y58-F63 HydrophobicContact CD1-CZ 3.85Å; Y58-F63 HydrophobicContact CG-CZ 4.25Å; F63-F82 HydrophobicContact CB-CD1 3.97Å; F63-F82 HydrophobicContact CB-CE1 3.75Å; F63-F82 HydrophobicContact CD1-CD1 4.31Å; F63-F82 HydrophobicContact CD1-CE1 4.29Å; F63-F82 HydrophobicContact CG-CD1 4.46Å; F63-F82 HydrophobicContact CG-CE1 4.15Å; F63-T84 HydrophobicContact CD1-CG2 3.96Å; F63-I86 HydrophobicContact CD1-CB 4.39Å; F63-I86 HydrophobicContact CD1-CD1 3.94Å; F63-I86 HydrophobicContact CD1-CG1 4.38Å; F63-I86 HydrophobicContact CE1-CB 4.18Å; F63-I86 HydrophobicContact CE1-CD1 3.68Å; F63-I86 HydrophobicContact CE1-CG1 3.86Å; F63-I86 HydrophobicContact CZ-CD1 4.26Å; F63-L123 HydrophobicContact CD2-CD1 4.17Å; F63-L123 HydrophobicContact CE2-CD1 4.43Å; F63-T155 HydrophobicContact CE2-CG2 4.42Å; F63-T155 HydrophobicContact CZ-CG2 3.81Å; F63-A159 HydrophobicContact CD1-CB 4.02Å; F63-A159 HydrophobicContact CE1-CB 3.65Å; F63-A159 HydrophobicContact CE2-CB 4.27Å; F63-A159 HydrophobicContact CG-CB 4.49Å; F63-A159 HydrophobicContact CZ-CB 3.79Å
64R98.4Very high95.8Very high107 Ų10739.3 Ų39.340%0.40424%0.238SC..EExtended strand (participates in β ladder)trans-81.4125.3171.6-168.8179.9179.1179.42.3109.2A48 L49 L83 T84A48-R64 CarbonylContact O-C 3.58Å; A48-R64 WeakPolarHBondContact O-CA 3.41Å; L49-R64 HydrophobicContact CD2-CB 3.87Å; L49-R64 HydrophobicContact CD2-CG 4Å; R64-L83 HydrophobicContact CB-CB 4.21Å; R64-L83 HydrophobicContact CG-CB 4.2Å; R64-L83 HydrophobicContact CG-CD1 4.03Å; R64-L83 PolarHBondContact O-N 3.02Å; R64-T84 PolarHBondContact N-OG1 3.05Å; R64-T84 PolarHBondContact O-N 3.17Å
65V98.4Very high95.7Very high0 Ų041.1 Ų41.10%023%0.234CC..EExtended strand (participates in β ladder)trans-120.2139.6178.9176.30000108.9Q47 A48 I50 L67 Y81 F82 I119Q47-V65 CarbonylContact C-O 3.52Å; Q47-V65 VanDerWaalsContact CA-O 3.22Å; Q47-V65 WeakPolarHBondContact CA-O 3.34Å; A48-V65 PolarHBondContact N-O 2.76Å; A48-V65 PolarHBondContact O-N 2.66Å; I50-V65 HydrophobicContact CD1-CB 4.47Å; I50-V65 HydrophobicContact CD1-CG2 3.94Å; I50-V65 HydrophobicContact CG1-CG2 4.47Å; V65-L67 HydrophobicContact CG1-CD2 4.19Å; V65-Y81 CarbonylContact C-O 3.47Å; V65-Y81 VanDerWaalsContact CA-O 3.27Å; V65-Y81 WeakPolarHBondContact CA-O 3.34Å; V65-F82 HydrophobicContact CG2-CD1 3.68Å; V65-F82 HydrophobicContact CG2-CE1 3.64Å; V65-F82 HydrophobicContact CG2-CG 4.31Å; V65-F82 HydrophobicContact CG2-CZ 4.24Å; V65-I119 HydrophobicContact CG1-CD1 3.95Å; V65-I119 HydrophobicContact CG2-CG2 4.33Å
66K97.1Very high95.6Very high41 Ų4140 Ų4018%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-110.8135.2170.7173.9169.8175.4137.10109.5D45 I46 Q47 A80 Y81 L83D45-K66 WeakPolarHBondContact OD1-CE 3.4Å; D45-K66 IonicContact OD1-NZ 2.76Å; D45-K66 PolarHBondContact OD1-NZ 2.72Å; I46-K66 CarbonylContact O-C 3.5Å; I46-K66 WeakPolarHBondContact O-CA 3.48Å; Q47-K66 HydrophobicContact CG-CB 4.22Å; Q47-K66 HydrophobicContact CG-CG 4.31Å; K66-A80 CarbonylContact O-C 3.59Å; K66-A80 WeakPolarHBondContact O-CA 3.3Å; K66-Y81 PolarHBondContact N-O 3.45Å; K66-Y81 PolarHBondContact O-N 3.25Å; K66-L83 HydrophobicContact CB-CD1 4Å; K66-L83 HydrophobicContact CB-CD2 3.97Å; K66-L83 HydrophobicContact CB-CG 3.92Å
67L96.1Very high95.5Very high1 Ų140 Ų401%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-105.4145.8168.3-53.8-178.5000109.2I46 V65 P78 K79 A80 I112 I115 L116 I119I46-L67 HydrophobicContact CB-CB 4.07Å; I46-L67 HydrophobicContact CG2-CB 4.14Å; I46-L67 HydrophobicContact CG2-CD1 4.02Å; I46-L67 HydrophobicContact CG2-CG 4.29Å; I46-L67 PolarHBondContact O-N 3.48Å; V65-L67 HydrophobicContact CG1-CD2 4.19Å; L67-P78 HydrophobicContact CB-CB 4.23Å; L67-P78 HydrophobicContact CD1-CG 4.38Å; L67-K79 CarbonylContact C-O 3.56Å; L67-K79 VanDerWaalsContact CA-O 3.29Å; L67-K79 WeakPolarHBondContact CA-O 3.29Å; L67-A80 HydrophobicContact CD2-CB 3.48Å; L67-A80 VanDerWaalsContact CD2-CB 3.48Å; L67-I112 HydrophobicContact CD1-CD1 4.47Å; L67-I112 HydrophobicContact CD1-CG2 3.8Å; L67-I115 HydrophobicContact CD1-CG2 4.08Å; L67-I115 HydrophobicContact CD2-CG2 3.81Å; L67-L116 HydrophobicContact CD1-CD2 3.93Å; L67-L116 HydrophobicContact CD1-CG 4.12Å; L67-L116 HydrophobicContact CD2-CD2 4.43Å; L67-L116 HydrophobicContact CG-CD2 4.28Å; L67-I119 HydrophobicContact CD2-CD1 3.93Å
68T93.4Very high95.3Very high33 Ų3339.9 Ų39.920%0.20222%0.215CC..EExtended strand (participates in β ladder)trans-130.3115.3177.8-60.10000108.5N7 P78 K79N7-T68 WeakPolarHBondContact ND2-CG2 3.42Å; T68-P78 WeakPolarHBondContact O-CA 3.5Å; T68-K79 PolarHBondContact N-O 2.81Å; T68-K79 PolarHBondContact O-N 3.46Å
69L92.7Very high95.1Very high1 Ų144.5 Ų44.51%0.00524%0.235CC..  trans-80.3130.1177.2-50.4-169.2000109L11 V19 I46 F73 P78 I112L11-L69 HydrophobicContact CD1-CB 3.82Å; L11-L69 HydrophobicContact CD1-CD1 3.65Å; L11-L69 HydrophobicContact CD1-CG 4.34Å; L11-L69 HydrophobicContact CD2-CB 4.13Å; V19-L69 HydrophobicContact CB-CD1 4.44Å; V19-L69 HydrophobicContact CG1-CD1 4.14Å; V19-L69 HydrophobicContact CG2-CD1 3.61Å; I46-L69 HydrophobicContact CD1-CD1 3.88Å; I46-L69 HydrophobicContact CD1-CD2 3.82Å; I46-L69 HydrophobicContact CD1-CG 3.91Å; L69-F73 HydrophobicContact CB-CB 4.4Å; L69-F73 HydrophobicContact CD1-CD1 4.12Å; L69-F73 HydrophobicContact CD1-CE1 4.33Å; L69-F73 HydrophobicContact CD2-CD1 4.34Å; L69-F73 HydrophobicContact CD2-CD2 4.1Å; L69-F73 HydrophobicContact CD2-CE2 4.27Å; L69-F73 HydrophobicContact CD2-CG 4.16Å; L69-F73 HydrophobicContact CD2-CZ 4.47Å; L69-P78 HydrophobicContact CD2-CB 3.69Å; L69-P78 HydrophobicContact CD2-CG 4.48Å; L69-I112 HydrophobicContact CD2-CD1 3.93Å
70N90Very high95.1Very high45 Ų4543 Ų4324%0.24122%0.223CC..  trans-96.3170.8169.965.610.4000109.9L11 D72 F73 T76L11-N70 WeakPolarHBondContact CD2-O 3.43Å; N70-D72 PolarHBondContact O-N 3.03Å; N70-D72 PolarHBondContact OD1-N 3.3Å; N70-F73 WeakPolarHBondContact O-CB 3.28Å; N70-F73 PolarHBondContact O-N 2.97Å; N70-F73 PolarHBondContact OD1-N 2.87Å; N70-T76 PolarHBondContact ND2-OG1 3.2Å; N70-T76 PolarHBondContact OD1-OG1 2.97Å
71K90.2Very high95.2Very high154 Ų15441.3 Ų41.367%0.6720%0.199SC*.THydrogen-bonded Turntrans-57.5-21.3177.266.2178.6-176.11770114.8N10 F73N10-K71 HydrophobicContact CB-CB 4.47Å; N10-K71 WeakPolarHBondContact O-CA 3.45Å; N10-K71 WeakPolarHBondContact O-CB 3.4Å; K71-F73 VanDerWaalsContact C-N 3.35Å
72D91.5Very high95.2Very high77 Ų7741.8 Ų41.841%0.41220%0.201SC..THydrogen-bonded Turntrans-91.23.3-179.1-54.4-46000111.9N70 L75 T76N70-D72 PolarHBondContact O-N 3.03Å; N70-D72 PolarHBondContact OD1-N 3.3Å; D72-L75 CarbonylContact O-C 3.5Å; D72-L75 VanDerWaalsContact O-CA 3.31Å; D72-L75 WeakPolarHBondContact O-CA 3.39Å; D72-L75 WeakPolarHBondContact O-CB 3.45Å; D72-L75 PolarHBondContact O-N 3.3Å; D72-T76 HydrophobicContact CB-CG2 4.01Å; D72-T76 PolarHBondContact O-N 3.44Å
73F92.7Very high95.2Very high6 Ų643.1 Ų43.13%0.02621%0.208CC..THydrogen-bonded Turntrans-74.4133.8174.2-178.8-91.5000110.3L11 T15 V19 L69 N70 K71 T76 W106 I112L11-F73 HydrophobicContact CD2-CB 4.5Å; T15-F73 HydrophobicContact CG2-CD1 3.49Å; T15-F73 VanDerWaalsContact CG2-CD1 3.49Å; T15-F73 HydrophobicContact CG2-CE1 3.97Å; V19-F73 HydrophobicContact CG2-CD1 4.39Å; V19-F73 HydrophobicContact CG2-CE1 3.66Å; V19-F73 HydrophobicContact CG2-CZ 4.41Å; L69-F73 HydrophobicContact CB-CB 4.4Å; L69-F73 HydrophobicContact CD1-CD1 4.12Å; L69-F73 HydrophobicContact CD1-CE1 4.33Å; L69-F73 HydrophobicContact CD2-CD1 4.34Å; L69-F73 HydrophobicContact CD2-CD2 4.1Å; L69-F73 HydrophobicContact CD2-CE2 4.27Å; L69-F73 HydrophobicContact CD2-CG 4.16Å; L69-F73 HydrophobicContact CD2-CZ 4.47Å; N70-F73 WeakPolarHBondContact O-CB 3.28Å; N70-F73 PolarHBondContact O-N 2.97Å; N70-F73 PolarHBondContact OD1-N 2.87Å; K71-F73 VanDerWaalsContact C-N 3.35Å; F73-T76 WeakPolarHBondContact CD2-O 3.43Å; F73-W106 HydrophobicContact CD2-CZ2 4.35Å; F73-W106 AromaticContact CE2-CH2 3.91Å; F73-W106 HydrophobicContact CE2-CH2 3.91Å; F73-W106 AromaticContact CE2-CZ2 3.82Å; F73-W106 HydrophobicContact CE2-CZ2 3.82Å; F73-I112 HydrophobicContact CE2-CD1 4.21Å; F73-I112 HydrophobicContact CZ-CD1 3.91Å
74P93.7Very high95.2Very high31 Ų3144.2 Ų44.220%0.20122%0.215CC..THydrogen-bonded Turncis-944.51136.2-36000116.1T76 W106 P108P74-T76 PolarHBondContact O-N 3.36Å; P74-W106 HydrophobicContact CB-CZ2 4.43Å; P74-W106 WeakPolarHBondContact O-CZ2 3.23Å; P74-W106 PolarHBondContact O-NE1 3.17Å; P74-P108 HydrophobicContact CB-CB 4.09Å; P74-P108 WeakPolarHBondContact CB-O 3.43Å; P74-P108 HydrophobicContact CG-CB 4.13Å; P74-P108 WeakPolarHBondContact O-CA 3.49Å; P74-P108 WeakPolarHBondContact O-CB 3.4Å
75L94.3Very high95.2Very high134 Ų13445.9 Ų45.970%0.70223%0.225SC*.THydrogen-bonded Turntrans-57.8-37.2178.1-178.262.5000112D72 P108D72-L75 CarbonylContact O-C 3.5Å; D72-L75 VanDerWaalsContact O-CA 3.31Å; D72-L75 WeakPolarHBondContact O-CA 3.39Å; D72-L75 WeakPolarHBondContact O-CB 3.45Å; D72-L75 PolarHBondContact O-N 3.3Å; L75-P108 HydrophobicContact CD1-CG 4.48Å
76T94.2Very high95.2Very high32 Ų3246.9 Ų46.920%0.19623%0.23CC..SBendtrans-111.9147.817070.60000111.2N70 D72 F73 P74N70-T76 PolarHBondContact ND2-OG1 3.2Å; N70-T76 PolarHBondContact OD1-OG1 2.97Å; D72-T76 HydrophobicContact CB-CG2 4.01Å; D72-T76 PolarHBondContact O-N 3.44Å; F73-T76 WeakPolarHBondContact CD2-O 3.43Å; P74-T76 PolarHBondContact O-N 3.36Å
77P95.4Very high95.3Very high5 Ų545.3 Ų45.33%0.03222%0.223CC..PPolyproline II helixtrans-67.1155.6177.328.9-33.5000110.3K103 W106 I115P77-K103 HydrophobicContact CG-CB 4.47Å; P77-K103 HydrophobicContact CG-CG 3.5Å; P77-W106 HydrophobicContact CB-CB 4.34Å; P77-W106 HydrophobicContact CB-CD2 3.68Å; P77-W106 HydrophobicContact CB-CE3 4.14Å; P77-W106 HydrophobicContact CB-CG 3.78Å; P77-W106 VanDerWaalsContact CD-CD1 3.5Å; P77-W106 HydrophobicContact CG-CB 4.33Å; P77-W106 HydrophobicContact CG-CD2 4.47Å; P77-W106 HydrophobicContact CG-CG 4.05Å; P77-I115 HydrophobicContact CB-CD1 3.81Å
78P94.6Very high95.4Very high0 Ų045.3 Ų45.30%022%0.223CC..PPolyproline II helixtrans-60.8151.6172.230.4-37.8000111L67 T68 L69 I115L67-P78 HydrophobicContact CB-CB 4.23Å; L67-P78 HydrophobicContact CD1-CG 4.38Å; T68-P78 WeakPolarHBondContact O-CA 3.5Å; L69-P78 HydrophobicContact CD2-CB 3.69Å; L69-P78 HydrophobicContact CD2-CG 4.48Å; P78-I115 HydrophobicContact CG-CB 4.33Å; P78-I115 HydrophobicContact CG-CD1 4.38Å; P78-I115 HydrophobicContact CG-CG1 3.81Å; P78-I115 HydrophobicContact CG-CG2 4.01Å
79K95.4Very high95.6Very high98 Ų9843.8 Ų43.843%0.42621%0.213SC..EExtended strand (participates in β ladder)trans-70.2146.3162.6-63.9-168.9-179.2-173.20108.7L67 T68 Y81L67-K79 CarbonylContact C-O 3.56Å; L67-K79 VanDerWaalsContact CA-O 3.29Å; L67-K79 WeakPolarHBondContact CA-O 3.29Å; T68-K79 PolarHBondContact N-O 2.81Å; T68-K79 PolarHBondContact O-N 3.46Å; K79-Y81 HydrophobicContact CB-CE2 3.72Å; K79-Y81 VanDerWaalsContact CD-OH 3.31Å; K79-Y81 WeakPolarHBondContact CD-OH 3.33Å
80A97.6Very high95.9Very high0 Ų043.7 Ų43.70%021%0.213CC..EExtended strand (participates in β ladder)trans-129.4143.2179.800000111.2K66 L67 I97 L102 I119K66-A80 CarbonylContact O-C 3.59Å; K66-A80 WeakPolarHBondContact O-CA 3.3Å; L67-A80 HydrophobicContact CD2-CB 3.48Å; L67-A80 VanDerWaalsContact CD2-CB 3.48Å; A80-I97 HydrophobicContact CB-CB 4.2Å; A80-I97 HydrophobicContact CB-CD1 3.77Å; A80-I97 HydrophobicContact CB-CG1 4.18Å; A80-I97 PolarHBondContact O-N 3.24Å; A80-L102 HydrophobicContact CB-CD1 3.74Å; A80-I119 HydrophobicContact CB-CD1 3.65Å
81Y98.3Very high96.3Very high49 Ų4941.7 Ų41.719%0.19220%0.203CC..EExtended strand (participates in β ladder)trans-137.1128.8-177.3-58.5-92000110V65 K66 K79 L83 G95 E96V65-Y81 CarbonylContact C-O 3.47Å; V65-Y81 VanDerWaalsContact CA-O 3.27Å; V65-Y81 WeakPolarHBondContact CA-O 3.34Å; K66-Y81 PolarHBondContact N-O 3.45Å; K66-Y81 PolarHBondContact O-N 3.25Å; K79-Y81 HydrophobicContact CB-CE2 3.72Å; K79-Y81 VanDerWaalsContact CD-OH 3.31Å; K79-Y81 WeakPolarHBondContact CD-OH 3.33Å; Y81-L83 PolarHBondContact O-N 3.3Å; Y81-G95 CarbonylContact C-O 3.23Å; Y81-G95 VanDerWaalsContact CA-O 3.26Å; Y81-G95 WeakPolarHBondContact CA-O 3.43Å; Y81-E96 HydrophobicContact CD1-CB 3.71Å; Y81-E96 HydrophobicContact CD1-CG 4.11Å; Y81-E96 HydrophobicContact CE1-CB 3.53Å; Y81-E96 HydrophobicContact CE1-CG 3.56Å; Y81-E96 PolarHBondContact OH-OE1 3.45Å; Y81-E96 VanDerWaalsContact OH-OE1 3.1Å
82F98.6Very high96.7Very high12 Ų1235.5 Ų35.55%0.05318%0.18CC..EExtended strand (participates in β ladder)trans-72115.5161.4-80.1-82.9000109.2F63 V65 T84 I86 V91 G95 I97 I119 L123F63-F82 HydrophobicContact CB-CD1 3.97Å; F63-F82 HydrophobicContact CB-CE1 3.75Å; F63-F82 HydrophobicContact CD1-CD1 4.31Å; F63-F82 HydrophobicContact CD1-CE1 4.29Å; F63-F82 HydrophobicContact CG-CD1 4.46Å; F63-F82 HydrophobicContact CG-CE1 4.15Å; V65-F82 HydrophobicContact CG2-CD1 3.68Å; V65-F82 HydrophobicContact CG2-CE1 3.64Å; V65-F82 HydrophobicContact CG2-CG 4.31Å; V65-F82 HydrophobicContact CG2-CZ 4.24Å; F82-T84 WeakPolarHBondContact CB-O 3.48Å; F82-I86 HydrophobicContact CB-CG2 3.95Å; F82-I86 HydrophobicContact CD1-CD1 4.45Å; F82-I86 HydrophobicContact CD1-CG2 4.21Å; F82-I86 HydrophobicContact CD2-CG2 4.02Å; F82-I86 HydrophobicContact CE1-CD1 4.13Å; F82-I86 HydrophobicContact CG-CG2 3.8Å; F82-I86 HydrophobicContact CZ-CD1 4.23Å; F82-V91 HydrophobicContact CB-CG1 4.37Å; F82-V91 HydrophobicContact CD2-CB 4.4Å; F82-V91 HydrophobicContact CD2-CG1 3.88Å; F82-V91 HydrophobicContact CD2-CG2 3.53Å; F82-V91 HydrophobicContact CE2-CG2 3.59Å; F82-G95 PolarHBondContact N-O 2.65Å; F82-G95 WeakPolarHBondContact O-CA 3.29Å; F82-I97 HydrophobicContact CD2-CD1 3.62Å; F82-I97 HydrophobicContact CD2-CG1 3.69Å; F82-I97 HydrophobicContact CE2-CD1 3.37Å; F82-I97 HydrophobicContact CE2-CG1 3.81Å; F82-I97 HydrophobicContact CZ-CD1 4.26Å; F82-I119 HydrophobicContact CE1-CG2 4.48Å; F82-I119 HydrophobicContact CE2-CG2 4.11Å; F82-I119 HydrophobicContact CZ-CG2 3.68Å; F82-L123 HydrophobicContact CZ-CD2 3.94Å
83L98.1Very high96.9Very high80 Ų8037.4 Ų37.442%0.41921%0.207SC..SBendtrans-79.1-32169.1-59.2-172.2000110.8R64 K66 Y81R64-L83 HydrophobicContact CB-CB 4.21Å; R64-L83 HydrophobicContact CG-CB 4.2Å; R64-L83 HydrophobicContact CG-CD1 4.03Å; R64-L83 PolarHBondContact O-N 3.02Å; K66-L83 HydrophobicContact CB-CD1 4Å; K66-L83 HydrophobicContact CB-CD2 3.97Å; K66-L83 HydrophobicContact CB-CG 3.92Å; Y81-L83 PolarHBondContact O-N 3.3Å
84T98.3Very high97.1Very high23 Ų2342.4 Ų42.414%0.14123%0.233CC..SBendtrans-77125.8168.5-59.70000109.7F63 R64 F82 I86 H158 A159F63-T84 HydrophobicContact CD1-CG2 3.96Å; R64-T84 PolarHBondContact N-OG1 3.05Å; R64-T84 PolarHBondContact O-N 3.17Å; F82-T84 WeakPolarHBondContact CB-O 3.48Å; T84-I86 PolarHBondContact O-N 3.13Å; T84-H158 HydrophobicContact CG2-CB 4.23Å; T84-H158 VanDerWaalsContact CG2-O 3.31Å; T84-H158 WeakPolarHBondContact CG2-O 3.38Å; T84-A159 HydrophobicContact CG2-CB 3.84Å
85K98.3Very high97.3Very high142 Ų14241.3 Ų41.362%0.61723%0.228SC*.  trans-57.4134.7176.2-69.5-178.4178.5179.90110.9M154 H158K85-M154 HydrophobicContact CB-CE 4.26Å; K85-H158 HydrophobicContact CB-CB 4.11Å
86I98.6Very high97.5Very high21 Ų2137.6 Ų37.611%0.10821%0.207CC..  trans-145.6145.5-176.4-170.2174.4000110.3Y58 F63 F82 T84 H88 V91 L123Y58-I86 HydrophobicContact CD1-CD1 3.88Å; Y58-I86 HydrophobicContact CD1-CG1 4.12Å; Y58-I86 HydrophobicContact CE1-CD1 3.66Å; Y58-I86 HydrophobicContact CE1-CG1 3.68Å; F63-I86 HydrophobicContact CD1-CB 4.39Å; F63-I86 HydrophobicContact CD1-CD1 3.94Å; F63-I86 HydrophobicContact CD1-CG1 4.38Å; F63-I86 HydrophobicContact CE1-CB 4.18Å; F63-I86 HydrophobicContact CE1-CD1 3.68Å; F63-I86 HydrophobicContact CE1-CG1 3.86Å; F63-I86 HydrophobicContact CZ-CD1 4.26Å; F82-I86 HydrophobicContact CB-CG2 3.95Å; F82-I86 HydrophobicContact CD1-CD1 4.45Å; F82-I86 HydrophobicContact CD1-CG2 4.21Å; F82-I86 HydrophobicContact CD2-CG2 4.02Å; F82-I86 HydrophobicContact CE1-CD1 4.13Å; F82-I86 HydrophobicContact CG-CG2 3.8Å; F82-I86 HydrophobicContact CZ-CD1 4.23Å; T84-I86 PolarHBondContact O-N 3.13Å; I86-H88 HydrophobicContact CD1-CB 4.13Å; I86-H88 HydrophobicContact CG1-CB 4.12Å; I86-V91 HydrophobicContact CG2-CB 4.15Å; I86-V91 HydrophobicContact CG2-CG1 3.76Å; I86-V91 HydrophobicContact CG2-CG2 4.19Å; I86-L123 HydrophobicContact CD1-CD2 3.57Å
87F98.5Very high97.7Very high8 Ų836.2 Ų36.24%0.03520%0.198CC..  trans-102.299.1169.6-176.2-107.9000109Y58 E135 A136 M139 Y147 R150 A151 M154Y58-F87 PolarHBondContact OH-O 2.71Å; F87-E135 HydrophobicContact CZ-CG 4.34Å; F87-A136 HydrophobicContact CD1-CB 4.24Å; F87-A136 HydrophobicContact CD2-CB 4.27Å; F87-A136 HydrophobicContact CE1-CB 3.78Å; F87-A136 HydrophobicContact CE2-CB 3.8Å; F87-A136 HydrophobicContact CG-CB 4.48Å; F87-A136 VanDerWaalsContact CZ-CA 3.5Å; F87-A136 HydrophobicContact CZ-CB 3.54Å; F87-M139 HydrophobicContact CE1-SD 4.19Å; F87-M139 HydrophobicContact CZ-SD 3.97Å; F87-Y147 HydrophobicContact CD1-CD2 4.17Å; F87-Y147 HydrophobicContact CD1-CE2 4.31Å; F87-Y147 AromaticContact CE1-CD2 3.85Å; F87-Y147 HydrophobicContact CE1-CD2 3.85Å; F87-Y147 HydrophobicContact CE1-CE2 4.36Å; F87-R150 HydrophobicContact CD1-CB 4.18Å; F87-R150 HydrophobicContact CD1-CG 3.81Å; F87-R150 HydrophobicContact CE1-CB 4.18Å; F87-R150 HydrophobicContact CE1-CG 3.96Å; F87-R150 VanDerWaalsContact CE2-CZ 3.47Å; F87-R150 HydrophobicContact CG-CG 4.12Å; F87-R150 HydrophobicContact CZ-CG 4.4Å; F87-A151 HydrophobicContact CD1-CB 4.31Å; F87-M154 HydrophobicContact CB-CB 4.29Å; F87-M154 HydrophobicContact CB-CG 3.96Å
88H98.6Very high97.7Very high1 Ų136.5 Ų36.51%0.00520%0.2CC..  trans-144.8139.9-174.4-176.1-77.9000110.5Y58 I86 N90 V91 L122 N133Y58-H88 AromaticContact CE2-CD2 3.9Å; Y58-H88 AromaticContact CZ-CD2 3.64Å; Y58-H88 PolarHBondContact OH-CD2 3.06Å; I86-H88 HydrophobicContact CD1-CB 4.13Å; I86-H88 HydrophobicContact CG1-CB 4.12Å; H88-N90 PolarHBondContact CE1-OD1 2.89Å; H88-N90 VanDerWaalsContact CE1-OD1 3.3Å; H88-N90 PolarHBondContact ND1-N 2.98Å; H88-N90 PolarHBondContact O-N 2.95Å; H88-V91 HydrophobicContact CB-CB 4.14Å; H88-V91 HydrophobicContact CB-CG2 3.79Å; H88-V91 PolarHBondContact O-N 3.41Å; H88-V91 VanDerWaalsContact O-N 3.17Å; H88-L122 PolarHBondContact NE2-O 2.77Å; H88-N133 WeakPolarHBondContact O-CB 3.1Å
89P98.1Very high97.6Very high0 Ų039.1 Ų39.10%022%0.216CC..THydrogen-bonded Turntrans-55.1-44.8-177-26.734.9000114V91 P126 A131 L132 N133 A136 L140 Y147P89-V91 VanDerWaalsContact C-N 3.29Å; P89-V91 PolarHBondContact O-N 3.44Å; P89-P126 HydrophobicContact CB-CB 4.38Å; P89-P126 HydrophobicContact CG-CB 3.81Å; P89-P126 HydrophobicContact CG-CG 4.49Å; P89-A131 HydrophobicContact CB-CB 4.33Å; P89-A131 CarbonylContact O-C 3.45Å; P89-A131 VanDerWaalsContact O-CA 3.24Å; P89-A131 WeakPolarHBondContact O-CA 3.27Å; P89-L132 PolarHBondContact O-N 3.4Å; P89-N133 PolarHBondContact O-N 3.36Å; P89-A136 HydrophobicContact CG-CB 4.14Å; P89-L140 HydrophobicContact CG-CB 4.31Å; P89-L140 HydrophobicContact CG-CD2 4.07Å; P89-Y147 HydrophobicContact CG-CE2 4.2Å
90N98.4Very high97.4Very high0 Ų039.4 Ų39.40%022%0.222CC..THydrogen-bonded Turntrans-85.111.8-177.3-55.3109.3000115.3H88 I97 C98 N127 S130H88-N90 PolarHBondContact CE1-OD1 2.89Å; H88-N90 VanDerWaalsContact CE1-OD1 3.3Å; H88-N90 PolarHBondContact ND1-N 2.98Å; H88-N90 PolarHBondContact O-N 2.95Å; N90-I97 WeakPolarHBondContact O-CA 3.4Å; N90-C98 PolarHBondContact O-N 3.29Å; N90-N127 PolarHBondContact ND2-O 2.86Å; N90-N127 PolarHBondContact OD1-N 3.27Å; N90-N127 PolarHBondContact OD1-O 3.42Å; N90-S130 PolarHBondContact ND2-O 2.75Å
91V98.6Very high97.2Very high3 Ų340 Ų402%0.01823%0.226CC..BIsolated β-bridgetrans-121.5122.5-176.7-175.40000109.5F82 I86 H88 P89 G95 E96 I97 N133F82-V91 HydrophobicContact CB-CG1 4.37Å; F82-V91 HydrophobicContact CD2-CB 4.4Å; F82-V91 HydrophobicContact CD2-CG1 3.88Å; F82-V91 HydrophobicContact CD2-CG2 3.53Å; F82-V91 HydrophobicContact CE2-CG2 3.59Å; I86-V91 HydrophobicContact CG2-CB 4.15Å; I86-V91 HydrophobicContact CG2-CG1 3.76Å; I86-V91 HydrophobicContact CG2-CG2 4.19Å; H88-V91 HydrophobicContact CB-CB 4.14Å; H88-V91 HydrophobicContact CB-CG2 3.79Å; H88-V91 PolarHBondContact O-N 3.41Å; H88-V91 VanDerWaalsContact O-N 3.17Å; P89-V91 VanDerWaalsContact C-N 3.29Å; P89-V91 PolarHBondContact O-N 3.44Å; V91-G95 WeakPolarHBondContact CG1-O 3.35Å; V91-E96 CarbonylContact C-O 3.58Å; V91-E96 WeakPolarHBondContact CA-O 3.01Å; V91-I97 HydrophobicContact CG2-CG1 4.37Å; V91-N133 WeakPolarHBondContact O-CB 3.26Å
92A98.1Very high97Very high24 Ų2437.9 Ų37.920%0.19822%0.218CC..  trans-71.4165.9175.300000111.8N94 G95 E96 L132A92-N94 VanDerWaalsContact CB-OD1 3.28Å; A92-N94 WeakPolarHBondContact CB-OD1 3.43Å; A92-N94 PolarHBondContact O-N 3.17Å; A92-N94 VanDerWaalsContact O-N 3.15Å; A92-G95 WeakPolarHBondContact O-CA 3.43Å; A92-G95 PolarHBondContact O-N 2.84Å; A92-E96 HydrophobicContact CB-CB 4.25Å; A92-E96 PolarHBondContact N-O 3.2Å; A92-L132 HydrophobicContact CB-CB 4.11Å; A92-L132 HydrophobicContact CB-CD1 4.05Å
93A96.8Very high96.7Very high117 Ų11742.2 Ų42.297%0.96724%0.237SC*.THydrogen-bonded Turntrans-59.8-27-179.200000114G95A93-G95 VanDerWaalsContact C-N 3.27Å
94N97.1Very high96.4Very high110 Ų11045.6 Ų45.659%0.58825%0.248SC*.THydrogen-bonded Turntrans-83.22.7174.668.1-9000113.5A92 E96A92-N94 VanDerWaalsContact CB-OD1 3.28Å; A92-N94 WeakPolarHBondContact CB-OD1 3.43Å; A92-N94 PolarHBondContact O-N 3.17Å; A92-N94 VanDerWaalsContact O-N 3.15Å; N94-E96 VanDerWaalsContact OD1-CB 3.26Å; N94-E96 WeakPolarHBondContact OD1-CB 3.5Å; N94-E96 PolarHBondContact OD1-N 3.17Å
95G98.1Very high96Very high8 Ų850 Ų508%0.08227%0.271CS..SBendtrans89.8-6.9-177.500000115Y81 F82 V91 A92 A93 I97Y81-G95 CarbonylContact C-O 3.23Å; Y81-G95 VanDerWaalsContact CA-O 3.26Å; Y81-G95 WeakPolarHBondContact CA-O 3.43Å; F82-G95 PolarHBondContact N-O 2.65Å; F82-G95 WeakPolarHBondContact O-CA 3.29Å; V91-G95 WeakPolarHBondContact CG1-O 3.35Å; A92-G95 WeakPolarHBondContact O-CA 3.43Å; A92-G95 PolarHBondContact O-N 2.84Å; A93-G95 VanDerWaalsContact C-N 3.27Å; G95-I97 PolarHBondContact O-N 3.2Å
96E98.1Very high95.9Very high57 Ų5744.6 Ų44.627%0.26625%0.247SC..BIsolated β-bridgetrans-62.6132.1-178.2-171.5163.5-151.200112Y81 V91 A92 N94 L132Y81-E96 HydrophobicContact CD1-CB 3.71Å; Y81-E96 HydrophobicContact CD1-CG 4.11Å; Y81-E96 HydrophobicContact CE1-CB 3.53Å; Y81-E96 HydrophobicContact CE1-CG 3.56Å; Y81-E96 PolarHBondContact OH-OE1 3.45Å; Y81-E96 VanDerWaalsContact OH-OE1 3.1Å; V91-E96 CarbonylContact C-O 3.58Å; V91-E96 WeakPolarHBondContact CA-O 3.01Å; A92-E96 HydrophobicContact CB-CB 4.25Å; A92-E96 PolarHBondContact N-O 3.2Å; N94-E96 VanDerWaalsContact OD1-CB 3.26Å; N94-E96 WeakPolarHBondContact OD1-CB 3.5Å; N94-E96 PolarHBondContact OD1-N 3.17Å; E96-L132 WeakPolarHBondContact O-CD1 3.31Å
97I98.1Very high95.8Very high3 Ų349.8 Ų49.82%0.01527%0.268CS..BIsolated β-bridgetrans-91135.8176.1-54.1-178000109A80 F82 N90 V91 G95 V99 L102 I119 L122A80-I97 HydrophobicContact CB-CB 4.2Å; A80-I97 HydrophobicContact CB-CD1 3.77Å; A80-I97 HydrophobicContact CB-CG1 4.18Å; A80-I97 PolarHBondContact O-N 3.24Å; F82-I97 HydrophobicContact CD2-CD1 3.62Å; F82-I97 HydrophobicContact CD2-CG1 3.69Å; F82-I97 HydrophobicContact CE2-CD1 3.37Å; F82-I97 HydrophobicContact CE2-CG1 3.81Å; F82-I97 HydrophobicContact CZ-CD1 4.26Å; N90-I97 WeakPolarHBondContact O-CA 3.4Å; V91-I97 HydrophobicContact CG2-CG1 4.37Å; G95-I97 PolarHBondContact O-N 3.2Å; I97-V99 PolarHBondContact O-N 3.2Å; I97-V99 VanDerWaalsContact O-N 3.08Å; I97-L102 HydrophobicContact CB-CD1 4.48Å; I97-L102 HydrophobicContact CG2-CD1 4.35Å; I97-L102 HydrophobicContact CG2-CD2 4.18Å; I97-L102 HydrophobicContact CG2-CG 4.24Å; I97-I119 HydrophobicContact CD1-CB 4.43Å; I97-I119 HydrophobicContact CD1-CD1 3.81Å; I97-I119 HydrophobicContact CD1-CG1 3.78Å; I97-I119 HydrophobicContact CD1-CG2 3.8Å; I97-L122 HydrophobicContact CG2-CD1 4.06Å
98C95.9Very high95.5Very high11 Ų1152.1 Ų52.17%0.07428%0.284CS..PPolyproline II helixtrans-54117.3179.8-170.70000112.3N90 N100 T101 L102 L132N90-C98 PolarHBondContact O-N 3.29Å; C98-N100 VanDerWaalsContact C-N 3.26Å; C98-N100 PolarHBondContact O-N 3.1Å; C98-T101 VanDerWaalsContact O-CB 3.3Å; C98-T101 WeakPolarHBondContact O-CB 3.47Å; C98-T101 PolarHBondContact O-N 3.08Å; C98-T101 VanDerWaalsContact O-N 3.08Å; C98-L102 PolarHBondContact O-N 2.84Å; C98-L132 HydrophobicContact CB-CD1 3.84Å; C98-L132 HydrophobicContact CB-CD2 4.38Å; C98-L132 HydrophobicContact CB-CG 3.88Å
99V92.1Very high95.3Very high55 Ų5558.1 Ų58.133%0.33332%0.317SS..Hα-helixtrans-62.2-33.1-178.971.70000112.5I97 T101 L102 K103I97-V99 PolarHBondContact O-N 3.2Å; I97-V99 VanDerWaalsContact O-N 3.08Å; V99-T101 PolarHBondContact O-N 3.43Å; V99-L102 PolarHBondContact O-N 3.14Å; V99-L102 VanDerWaalsContact O-N 3.14Å; V99-K103 HydrophobicContact CG2-CD 3.97Å; V99-K103 HydrophobicContact CG2-CG 4.13Å; V99-K103 WeakPolarHBondContact O-CB 3.24Å; V99-K103 VanDerWaalsContact O-CG 3.29Å; V99-K103 WeakPolarHBondContact O-CG 3.42Å; V99-K103 PolarHBondContact O-N 3.33Å
100N92Very high95.2Very high103 Ų10360.8 Ų60.855%0.55133%0.33SS*.Hα-helixtrans-63.6-34.4177.9-68.4-13.5000111.4C98 K103 K104C98-N100 VanDerWaalsContact C-N 3.26Å; C98-N100 PolarHBondContact O-N 3.1Å; N100-K103 PolarHBondContact O-N 3.34Å; N100-K104 PolarHBondContact O-N 3.03Å
101T91.9Very high95Very high13 Ų1360.9 Ų60.98%0.0833%0.331CS..Hα-helixtrans-67.9-38.6175.3-57.80000111.7C98 V99 L122 S130C98-T101 VanDerWaalsContact O-CB 3.3Å; C98-T101 WeakPolarHBondContact O-CB 3.47Å; C98-T101 PolarHBondContact O-N 3.08Å; C98-T101 VanDerWaalsContact O-N 3.08Å; V99-T101 PolarHBondContact O-N 3.43Å; T101-L122 HydrophobicContact CG2-CD1 3.54Å; T101-L122 HydrophobicContact CG2-CD2 3.25Å; T101-L122 HydrophobicContact CG2-CG 3.92Å; T101-S130 WeakPolarHBondContact OG1-CB 3.42Å
102L93.9Very high94.9Very high5 Ų560.7 Ų60.73%0.02633%0.33CS..Hα-helixtrans-75-28.5176.3-58178.6000112.7A80 I97 C98 V99 T118 I119A80-L102 HydrophobicContact CB-CD1 3.74Å; I97-L102 HydrophobicContact CB-CD1 4.48Å; I97-L102 HydrophobicContact CG2-CD1 4.35Å; I97-L102 HydrophobicContact CG2-CD2 4.18Å; I97-L102 HydrophobicContact CG2-CG 4.24Å; C98-L102 PolarHBondContact O-N 2.84Å; V99-L102 PolarHBondContact O-N 3.14Å; V99-L102 VanDerWaalsContact O-N 3.14Å; L102-T118 HydrophobicContact CD2-CG2 4.21Å; L102-I119 HydrophobicContact CD2-CG1 3.93Å
103K93.2Very high94.8Very high102 Ų10263.5 Ų63.544%0.44334%0.338SS..Hα-helixtrans-78.3-27.6-178.1-81.6177.9172.7-1780114.4P77 V99 N100 D105 W106P77-K103 HydrophobicContact CG-CB 4.47Å; P77-K103 HydrophobicContact CG-CG 3.5Å; V99-K103 HydrophobicContact CG2-CD 3.97Å; V99-K103 HydrophobicContact CG2-CG 4.13Å; V99-K103 WeakPolarHBondContact O-CB 3.24Å; V99-K103 VanDerWaalsContact O-CG 3.29Å; V99-K103 WeakPolarHBondContact O-CG 3.42Å; V99-K103 PolarHBondContact O-N 3.33Å; N100-K103 PolarHBondContact O-N 3.34Å; K103-D105 PolarHBondContact O-N 3.08Å; K103-D105 VanDerWaalsContact O-N 3.08Å; K103-W106 PolarHBondContact O-N 3.08Å; K103-W106 VanDerWaalsContact O-N 3.1Å
104K91Very high94.8Very high152 Ų15260.6 Ų60.666%0.66130%0.304SS*.THydrogen-bonded Turntrans-47.7-44.5-167.5-176176.5175.7175.40113.6N100N100-K104 PolarHBondContact O-N 3.03Å
105D90.2Very high94.8Very high116 Ų11655.3 Ų55.362%0.6228%0.276SS*.THydrogen-bonded Turntrans-12217.7-178.1-56.8-55.7000112.3K103 L110K103-D105 PolarHBondContact O-N 3.08Å; K103-D105 VanDerWaalsContact O-N 3.08Å; D105-L110 VanDerWaalsContact O-CD1 3.26Å; D105-L110 WeakPolarHBondContact O-CD1 3.49Å
106W96.1Very high94.8Very high28 Ų2855 Ų5511%0.10627%0.273CS..  trans-70.7134.4-179.3176-103.8000111.5F73 P74 P77 K103 L110 G111 I115F73-W106 HydrophobicContact CD2-CZ2 4.35Å; F73-W106 AromaticContact CE2-CH2 3.91Å; F73-W106 HydrophobicContact CE2-CH2 3.91Å; F73-W106 AromaticContact CE2-CZ2 3.82Å; F73-W106 HydrophobicContact CE2-CZ2 3.82Å; P74-W106 HydrophobicContact CB-CZ2 4.43Å; P74-W106 WeakPolarHBondContact O-CZ2 3.23Å; P74-W106 PolarHBondContact O-NE1 3.17Å; P77-W106 HydrophobicContact CB-CB 4.34Å; P77-W106 HydrophobicContact CB-CD2 3.68Å; P77-W106 HydrophobicContact CB-CE3 4.14Å; P77-W106 HydrophobicContact CB-CG 3.78Å; P77-W106 VanDerWaalsContact CD-CD1 3.5Å; P77-W106 HydrophobicContact CG-CB 4.33Å; P77-W106 HydrophobicContact CG-CD2 4.47Å; P77-W106 HydrophobicContact CG-CG 4.05Å; K103-W106 PolarHBondContact O-N 3.08Å; K103-W106 VanDerWaalsContact O-N 3.1Å; W106-L110 HydrophobicContact CE3-CB 4.21Å; W106-L110 HydrophobicContact CE3-CD1 4.37Å; W106-L110 HydrophobicContact CZ3-CB 3.95Å; W106-G111 WeakPolarHBondContact CZ3-O 3.26Å; W106-I115 HydrophobicContact CD2-CD1 4.36Å; W106-I115 HydrophobicContact CE3-CD1 3.46Å; W106-I115 VanDerWaalsContact CE3-CD1 3.46Å; W106-I115 HydrophobicContact CE3-CG1 3.99Å; W106-I115 HydrophobicContact CH2-CD1 4.45Å; W106-I115 HydrophobicContact CH2-CG1 4.18Å; W106-I115 HydrophobicContact CZ3-CD1 3.54Å; W106-I115 HydrophobicContact CZ3-CG1 3.49Å; W106-I115 VanDerWaalsContact CZ3-CG1 3.49Å
107K96.2Very high94.8Very high129 Ų12955.7 Ų55.756%0.56128%0.278SS*.  trans-131.6147.9165.2-55.5174.8-178.11720109D109 L110K107-D109 WeakPolarHBondContact CB-OD1 3.28Å; K107-D109 PolarHBondContact O-N 3.01Å; K107-L110 HydrophobicContact CB-CD1 4.04Å; K107-L110 HydrophobicContact CB-CG 4.01Å; K107-L110 HydrophobicContact CG-CD1 4.37Å; K107-L110 WeakPolarHBondContact O-CB 3.46Å; K107-L110 WeakPolarHBondContact O-CG 3.35Å; K107-L110 PolarHBondContact O-N 3.43Å
108P94Very high94.7Very high58 Ų5857.2 Ų57.238%0.37729%0.287SS..THydrogen-bonded Turntrans-60.4-18.4-174.6-25.736.2000115.5P74 L75P74-P108 HydrophobicContact CB-CB 4.09Å; P74-P108 WeakPolarHBondContact CB-O 3.43Å; P74-P108 HydrophobicContact CG-CB 4.13Å; P74-P108 WeakPolarHBondContact O-CA 3.49Å; P74-P108 WeakPolarHBondContact O-CB 3.4Å; L75-P108 HydrophobicContact CD1-CG 4.48Å
109D94.5Very high94.8Very high127 Ų12756.7 Ų56.768%0.67928%0.283SS*.THydrogen-bonded Turntrans-88.9-5.6179.860.6-43000114.2K107K107-D109 WeakPolarHBondContact CB-OD1 3.28Å; K107-D109 PolarHBondContact O-N 3.01Å
110L95.3Very high95.1Very high55 Ų5555.5 Ų55.529%0.28827%0.274SS..SBendtrans-79.3-28.2-176.2-64.6176.3000114.1D105 W106 K107 H114D105-L110 VanDerWaalsContact O-CD1 3.26Å; D105-L110 WeakPolarHBondContact O-CD1 3.49Å; W106-L110 HydrophobicContact CE3-CB 4.21Å; W106-L110 HydrophobicContact CE3-CD1 4.37Å; W106-L110 HydrophobicContact CZ3-CB 3.95Å; K107-L110 HydrophobicContact CB-CD1 4.04Å; K107-L110 HydrophobicContact CB-CG 4.01Å; K107-L110 HydrophobicContact CG-CD1 4.37Å; K107-L110 WeakPolarHBondContact O-CB 3.46Å; K107-L110 WeakPolarHBondContact O-CG 3.35Å; K107-L110 PolarHBondContact O-N 3.43Å; L110-H114 HydrophobicContact CB-CB 3.65Å; L110-H114 VanDerWaalsContact O-CB 3.24Å; L110-H114 WeakPolarHBondContact O-CB 3.28Å
111G94.3Very high95.3Very high2 Ų252.9 Ų52.92%0.02126%0.263CS..Hα-helixtrans69.9-174.5174.600000116.2E22 W106 H114E22-G111 WeakPolarHBondContact OE2-CA 3.2Å; W106-G111 WeakPolarHBondContact CZ3-O 3.26Å; G111-H114 PolarHBondContact O-N 3.07Å
112I95.9Very high95.6Very high0 Ų053 Ų530%026%0.263CS..Hα-helixtrans-65.6-40.2-175.3-60-56.9000111.9E22 L23 M26 I46 L67 L69 F73 H114 I115 L116E22-I112 PolarHBondContact OE2-N 3.44Å; L23-I112 HydrophobicContact CD2-CG2 4.22Å; M26-I112 HydrophobicContact SD-CG2 4.35Å; I46-I112 HydrophobicContact CD1-CD1 3.77Å; I46-I112 HydrophobicContact CD1-CG1 4.18Å; I46-I112 HydrophobicContact CG2-CG2 4.1Å; L67-I112 HydrophobicContact CD1-CD1 4.47Å; L67-I112 HydrophobicContact CD1-CG2 3.8Å; L69-I112 HydrophobicContact CD2-CD1 3.93Å; F73-I112 HydrophobicContact CE2-CD1 4.21Å; F73-I112 HydrophobicContact CZ-CD1 3.91Å; I112-H114 VanDerWaalsContact C-N 3.28Å; I112-H114 PolarHBondContact O-N 2.99Å; I112-I115 PolarHBondContact O-N 3.1Å; I112-I115 VanDerWaalsContact O-N 3.17Å; I112-L116 HydrophobicContact CG2-CD1 4.04Å; I112-L116 HydrophobicContact CG2-CG 4.46Å; I112-L116 PolarHBondContact O-N 3.41Å; I112-L116 VanDerWaalsContact O-N 3.11Å
113K96.5Very high95.8Very high82 Ų8252.9 Ų52.936%0.35726%0.263SS..Hα-helixtrans-55.3-44.6178.1179.8171.3174.6173.90111.8M26 P31 L116 L117M26-K113 HydrophobicContact CE-CB 4.28Å; M26-K113 HydrophobicContact CE-CG 4.46Å; M26-K113 HydrophobicContact CG-CB 4.26Å; M26-K113 VanDerWaalsContact SD-CA 3.6Å; M26-K113 HydrophobicContact SD-CB 3.67Å; M26-K113 HydrophobicContact SD-CG 4.36Å; P31-K113 HydrophobicContact CG-CD 4.19Å; P31-K113 HydrophobicContact CG-CG 3.9Å; K113-L116 PolarHBondContact O-N 3.09Å; K113-L117 HydrophobicContact CG-CD1 4.11Å; K113-L117 WeakPolarHBondContact O-CG 3.47Å; K113-L117 PolarHBondContact O-N 3.22Å
114H96.5Very high96Very high56 Ų5650.2 Ų50.226%0.25925%0.253SS..Hα-helixtrans-63.6-43.5179.2-179.486.2000111.9L110 G111 I112 L116 L117 T118L110-H114 HydrophobicContact CB-CB 3.65Å; L110-H114 VanDerWaalsContact O-CB 3.24Å; L110-H114 WeakPolarHBondContact O-CB 3.28Å; G111-H114 PolarHBondContact O-N 3.07Å; I112-H114 VanDerWaalsContact C-N 3.28Å; I112-H114 PolarHBondContact O-N 2.99Å; H114-L116 VanDerWaalsContact C-N 3.34Å; H114-L116 PolarHBondContact O-N 3.42Å; H114-L117 PolarHBondContact O-N 2.77Å; H114-T118 PolarHBondContact NE2-OG1 3.35Å; H114-T118 PolarHBondContact O-N 2.86Å; H114-T118 PolarHBondContact O-OG1 3.44Å; H114-T118 VanDerWaalsContact O-OG1 3.09Å
115I97Very high96.2Very high0 Ų046.1 Ų46.10%024%0.24CC..Hα-helixtrans-59.5-45.5177.4-66.6-64.4000111.5L67 P77 P78 W106 I112 L117 T118 I119L67-I115 HydrophobicContact CD1-CG2 4.08Å; L67-I115 HydrophobicContact CD2-CG2 3.81Å; P77-I115 HydrophobicContact CB-CD1 3.81Å; P78-I115 HydrophobicContact CG-CB 4.33Å; P78-I115 HydrophobicContact CG-CD1 4.38Å; P78-I115 HydrophobicContact CG-CG1 3.81Å; P78-I115 HydrophobicContact CG-CG2 4.01Å; W106-I115 HydrophobicContact CD2-CD1 4.36Å; W106-I115 HydrophobicContact CE3-CD1 3.46Å; W106-I115 VanDerWaalsContact CE3-CD1 3.46Å; W106-I115 HydrophobicContact CE3-CG1 3.99Å; W106-I115 HydrophobicContact CH2-CD1 4.45Å; W106-I115 HydrophobicContact CH2-CG1 4.18Å; W106-I115 HydrophobicContact CZ3-CD1 3.54Å; W106-I115 HydrophobicContact CZ3-CG1 3.49Å; W106-I115 VanDerWaalsContact CZ3-CG1 3.49Å; I112-I115 PolarHBondContact O-N 3.1Å; I112-I115 VanDerWaalsContact O-N 3.17Å; I115-L117 VanDerWaalsContact C-N 3.32Å; I115-L117 PolarHBondContact O-N 3.29Å; I115-T118 WeakPolarHBondContact O-CB 3.48Å; I115-T118 PolarHBondContact O-N 2.92Å; I115-I119 HydrophobicContact CG2-CD1 3.85Å; I115-I119 HydrophobicContact CG2-CG1 4.47Å; I115-I119 VanDerWaalsContact O-CG1 3.3Å; I115-I119 WeakPolarHBondContact O-CG1 3.26Å; I115-I119 PolarHBondContact O-N 2.87Å
116L98Very high96.5Very high1 Ų141.7 Ų41.71%0.00522%0.218CC..Hα-helixtrans-64.7-37.7179.5-66.4172.2000111.8M26 I34 V36 A48 I50 L67 I112 K113 H114 I119 K120M26-L116 HydrophobicContact CE-CD1 3.44Å; M26-L116 VanDerWaalsContact CE-CD1 3.44Å; M26-L116 HydrophobicContact SD-CD1 4.28Å; I34-L116 HydrophobicContact CD1-CB 4.01Å; I34-L116 HydrophobicContact CG2-CB 4.18Å; I34-L116 HydrophobicContact CG2-CD1 4.09Å; V36-L116 HydrophobicContact CG1-CD1 4.2Å; A48-L116 HydrophobicContact CB-CD1 3.87Å; A48-L116 HydrophobicContact CB-CD2 3.74Å; A48-L116 HydrophobicContact CB-CG 4.46Å; I50-L116 HydrophobicContact CD1-CD2 4.34Å; L67-L116 HydrophobicContact CD1-CD2 3.93Å; L67-L116 HydrophobicContact CD1-CG 4.12Å; L67-L116 HydrophobicContact CD2-CD2 4.43Å; L67-L116 HydrophobicContact CG-CD2 4.28Å; I112-L116 HydrophobicContact CG2-CD1 4.04Å; I112-L116 HydrophobicContact CG2-CG 4.46Å; I112-L116 PolarHBondContact O-N 3.41Å; I112-L116 VanDerWaalsContact O-N 3.11Å; K113-L116 PolarHBondContact O-N 3.09Å; H114-L116 VanDerWaalsContact C-N 3.34Å; H114-L116 PolarHBondContact O-N 3.42Å; L116-I119 PolarHBondContact O-N 3.41Å; L116-K120 PolarHBondContact O-N 3.25Å
117L97.5Very high96.4Very high72 Ų7242 Ų4238%0.37722%0.221SC..Hα-helixtrans-65.3-41.2172.7-71.9169.7000112.3P31 I34 K113 H114 I115 I119 K120 C121P31-L117 HydrophobicContact CB-CD2 4.21Å; I34-L117 HydrophobicContact CD1-CD2 3.86Å; I34-L117 HydrophobicContact CD1-CG 4.26Å; K113-L117 HydrophobicContact CG-CD1 4.11Å; K113-L117 WeakPolarHBondContact O-CG 3.47Å; K113-L117 PolarHBondContact O-N 3.22Å; H114-L117 PolarHBondContact O-N 2.77Å; I115-L117 VanDerWaalsContact C-N 3.32Å; I115-L117 PolarHBondContact O-N 3.29Å; L117-I119 VanDerWaalsContact C-N 3.34Å; L117-I119 PolarHBondContact O-N 3.23Å; L117-K120 PolarHBondContact O-N 2.98Å; L117-C121 WeakPolarHBondContact O-CB 3.43Å; L117-C121 PolarHBondContact O-N 3.41Å
118T96.8Very high96.2Very high34 Ų3438 Ų3821%0.20921%0.209CC..Hα-helixtrans-61.2-42.9175-64.60000111.2L102 H114 I115 C121 L122L102-T118 HydrophobicContact CD2-CG2 4.21Å; H114-T118 PolarHBondContact NE2-OG1 3.35Å; H114-T118 PolarHBondContact O-N 2.86Å; H114-T118 PolarHBondContact O-OG1 3.44Å; H114-T118 VanDerWaalsContact O-OG1 3.09Å; I115-T118 WeakPolarHBondContact O-CB 3.48Å; I115-T118 PolarHBondContact O-N 2.92Å; T118-C121 WeakPolarHBondContact O-CB 3.41Å; T118-C121 PolarHBondContact O-N 3.05Å; T118-L122 WeakPolarHBondContact O-CG 3.48Å; T118-L122 PolarHBondContact O-N 3.35Å
119I98.2Very high96Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-62.8-44.2175.2-66.2166.9000111I50 V65 L67 A80 F82 I97 L102 I115 L116 L117 C121 L122 L123I50-I119 HydrophobicContact CD1-CB 4.14Å; I50-I119 HydrophobicContact CD1-CG2 3.75Å; V65-I119 HydrophobicContact CG1-CD1 3.95Å; V65-I119 HydrophobicContact CG2-CG2 4.33Å; L67-I119 HydrophobicContact CD2-CD1 3.93Å; A80-I119 HydrophobicContact CB-CD1 3.65Å; F82-I119 HydrophobicContact CE1-CG2 4.48Å; F82-I119 HydrophobicContact CE2-CG2 4.11Å; F82-I119 HydrophobicContact CZ-CG2 3.68Å; I97-I119 HydrophobicContact CD1-CB 4.43Å; I97-I119 HydrophobicContact CD1-CD1 3.81Å; I97-I119 HydrophobicContact CD1-CG1 3.78Å; I97-I119 HydrophobicContact CD1-CG2 3.8Å; L102-I119 HydrophobicContact CD2-CG1 3.93Å; I115-I119 HydrophobicContact CG2-CD1 3.85Å; I115-I119 HydrophobicContact CG2-CG1 4.47Å; I115-I119 VanDerWaalsContact O-CG1 3.3Å; I115-I119 WeakPolarHBondContact O-CG1 3.26Å; I115-I119 PolarHBondContact O-N 2.87Å; L116-I119 PolarHBondContact O-N 3.41Å; L117-I119 VanDerWaalsContact C-N 3.34Å; L117-I119 PolarHBondContact O-N 3.23Å; I119-C121 VanDerWaalsContact C-N 3.29Å; I119-C121 PolarHBondContact O-N 3.03Å; I119-L122 WeakPolarHBondContact O-CB 3.35Å; I119-L122 PolarHBondContact O-N 2.65Å; I119-L123 PolarHBondContact O-N 3.15Å
120K98.1Very high95.8Very high31 Ų3138.8 Ų38.814%0.13521%0.206CC..Hα-helixtrans-60.8-39.8174.3-172.8176.5-177.4-176.60111.7E32 I34 I50 P53 L116 L117 L122 L123E32-K120 PolarHBondContact O-NZ 3.48Å; I34-K120 HydrophobicContact CD1-CB 4.38Å; I34-K120 HydrophobicContact CD1-CD 4.24Å; I34-K120 HydrophobicContact CG1-CD 4.17Å; I50-K120 HydrophobicContact CG2-CB 3.86Å; I50-K120 HydrophobicContact CG2-CD 4.25Å; I50-K120 HydrophobicContact CG2-CG 3.87Å; P53-K120 HydrophobicContact CG-CG 3.92Å; L116-K120 PolarHBondContact O-N 3.25Å; L117-K120 PolarHBondContact O-N 2.98Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 2.84Å; K120-L123 WeakPolarHBondContact O-CB 3.3Å; K120-L123 PolarHBondContact O-N 2.84Å
121C97Very high95.8Very high47 Ų4737.7 Ų37.732%0.31821%0.205SC..Hα-helixtrans-63.6-36.5176.9-169.30000112L117 T118 I119 L123 I124 V125L117-C121 WeakPolarHBondContact O-CB 3.43Å; L117-C121 PolarHBondContact O-N 3.41Å; T118-C121 WeakPolarHBondContact O-CB 3.41Å; T118-C121 PolarHBondContact O-N 3.05Å; I119-C121 VanDerWaalsContact C-N 3.29Å; I119-C121 PolarHBondContact O-N 3.03Å; C121-L123 VanDerWaalsContact C-N 3.25Å; C121-L123 PolarHBondContact O-N 3.15Å; C121-I124 WeakPolarHBondContact O-CA 3.37Å; C121-I124 WeakPolarHBondContact O-CB 3.48Å; C121-I124 PolarHBondContact O-N 2.94Å; C121-V125 PolarHBondContact O-N 2.87Å
122L97.1Very high95.9Very high16 Ų1641.3 Ų41.38%0.08422%0.223CC..Hα-helixtrans-59.5-36.4175.5-73.3170.4000112.8H88 I97 T101 T118 I119 K120 I124 V125 P126H88-L122 PolarHBondContact NE2-O 2.77Å; I97-L122 HydrophobicContact CG2-CD1 4.06Å; T101-L122 HydrophobicContact CG2-CD1 3.54Å; T101-L122 HydrophobicContact CG2-CD2 3.25Å; T101-L122 HydrophobicContact CG2-CG 3.92Å; T118-L122 WeakPolarHBondContact O-CG 3.48Å; T118-L122 PolarHBondContact O-N 3.35Å; I119-L122 WeakPolarHBondContact O-CB 3.35Å; I119-L122 PolarHBondContact O-N 2.65Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 2.84Å; L122-I124 PolarHBondContact O-N 3.31Å; L122-V125 CarbonylContact O-C 3.58Å; L122-V125 VanDerWaalsContact O-C 3.23Å; L122-V125 PolarHBondContact O-N 2.96Å; L122-P126 VanDerWaalsContact O-N 3.14Å
123L98.3Very high96Very high3 Ų343 Ų432%0.01623%0.232CC..Hα-helixtrans-62.6-22.7174.3-58-175.9000112.7I50 P53 T56 Y58 F63 F82 I86 I119 K120 C121I50-L123 HydrophobicContact CG2-CD1 4.38Å; P53-L123 HydrophobicContact CG-CB 4.12Å; T56-L123 WeakPolarHBondContact CG2-O 3.48Å; Y58-L123 HydrophobicContact CD2-CB 3.79Å; Y58-L123 HydrophobicContact CD2-CD2 4.06Å; Y58-L123 HydrophobicContact CD2-CG 4.44Å; Y58-L123 VanDerWaalsContact CD2-O 3.29Å; Y58-L123 WeakPolarHBondContact CD2-O 3.33Å; Y58-L123 HydrophobicContact CE2-CB 4.28Å; Y58-L123 HydrophobicContact CE2-CD2 4.14Å; Y58-L123 WeakPolarHBondContact CE2-O 3.44Å; Y58-L123 HydrophobicContact CG-CB 4.45Å; Y58-L123 HydrophobicContact CG-CD2 4.28Å; F63-L123 HydrophobicContact CD2-CD1 4.17Å; F63-L123 HydrophobicContact CE2-CD1 4.43Å; F82-L123 HydrophobicContact CZ-CD2 3.94Å; I86-L123 HydrophobicContact CD1-CD2 3.57Å; I119-L123 PolarHBondContact O-N 3.15Å; K120-L123 WeakPolarHBondContact O-CB 3.3Å; K120-L123 PolarHBondContact O-N 2.84Å; C121-L123 VanDerWaalsContact C-N 3.25Å; C121-L123 PolarHBondContact O-N 3.15Å
124I97.8Very high96Very high46 Ų4646.9 Ų46.924%0.23625%0.252CS..Hα-helixtrans-90-42.4178.1-53175.4000111.5P53 T56 C121 L122 K202P53-I124 HydrophobicContact CB-CD1 3.95Å; P53-I124 HydrophobicContact CB-CG1 3.63Å; P53-I124 HydrophobicContact CG-CD1 4.07Å; P53-I124 HydrophobicContact CG-CG1 3.64Å; T56-I124 HydrophobicContact CG2-CB 4.46Å; T56-I124 HydrophobicContact CG2-CG1 4.25Å; C121-I124 WeakPolarHBondContact O-CA 3.37Å; C121-I124 WeakPolarHBondContact O-CB 3.48Å; C121-I124 PolarHBondContact O-N 2.94Å; L122-I124 PolarHBondContact O-N 3.31Å; I124-K202 HydrophobicContact CG2-CD 4.47Å; I124-K202 PolarHBondContact O-NZ 2.86Å
125V96.2Very high96Very high66 Ų6648.4 Ų48.440%0.426%0.259SS..SBendtrans-134.387.4-176.7-171.50000108.9C121 L122C121-V125 PolarHBondContact O-N 2.87Å; L122-V125 CarbonylContact O-C 3.58Å; L122-V125 VanDerWaalsContact O-C 3.23Å; L122-V125 PolarHBondContact O-N 2.96Å
126P96.5Very high96.1Very high22 Ų2248.4 Ų48.414%0.14326%0.259CS..  trans-61.9149.4172.7-20.732.2000110.9P89 L122 P128 L140P89-P126 HydrophobicContact CB-CB 4.38Å; P89-P126 HydrophobicContact CG-CB 3.81Å; P89-P126 HydrophobicContact CG-CG 4.49Å; L122-P126 VanDerWaalsContact O-N 3.14Å; P126-P128 VanDerWaalsContact O-CD 3.28Å; P126-P128 WeakPolarHBondContact O-CD 3.43Å; P126-L140 HydrophobicContact CB-CD2 3.89Å; P126-L140 HydrophobicContact CG-CD1 4.21Å; P126-L140 HydrophobicContact CG-CD2 4.37Å
127N93.7Very high96Very high35 Ų3548.6 Ų48.619%0.18726%0.261CS..  trans-101.298.6175.9179.410.4000110.7N90 E129 S130N90-N127 PolarHBondContact ND2-O 2.86Å; N90-N127 PolarHBondContact OD1-N 3.27Å; N90-N127 PolarHBondContact OD1-O 3.42Å; N127-E129 PolarHBondContact O-N 3.4Å; N127-E129 WeakPolarHBondContact OD1-CB 3.16Å; N127-E129 PolarHBondContact OD1-N 3.07Å; N127-S130 PolarHBondContact ND2-OG 3.11Å; N127-S130 PolarHBondContact O-N 3.04Å
128P90.5Very high96Very high45 Ų4551 Ų5129%0.29227%0.269SS..G310 helixtrans-64.5-24.7-178.625.5-33.8000114P126 S130 A131 L140 L141P126-P128 VanDerWaalsContact O-CD 3.28Å; P126-P128 WeakPolarHBondContact O-CD 3.43Å; P128-S130 PolarHBondContact O-N 2.78Å; P128-A131 PolarHBondContact O-N 2.95Å; P128-L140 HydrophobicContact CB-CD2 4.31Å; P128-L141 HydrophobicContact CB-CD1 4.02Å; P128-L141 HydrophobicContact CB-CD2 3.97Å; P128-L141 HydrophobicContact CB-CG 4.06Å; P128-L141 HydrophobicContact CG-CD2 3.99Å
129E90.2Very high96.1Very high175 Ų17551.5 Ų51.582%0.81827%0.269SS*.G310 helixtrans-68.6-23.7-178.9-60.1177.6171.200112.8N127N127-E129 PolarHBondContact O-N 3.4Å; N127-E129 WeakPolarHBondContact OD1-CB 3.16Å; N127-E129 PolarHBondContact OD1-N 3.07Å
130S90.9Very high96Very high27 Ų2752.7 Ų52.719%0.18928%0.276CS..G310 helixtrans-116.337.1-179.5-61.30000111.5N90 T101 N127 P128 L132N90-S130 PolarHBondContact ND2-O 2.75Å; T101-S130 WeakPolarHBondContact OG1-CB 3.42Å; N127-S130 PolarHBondContact ND2-OG 3.11Å; N127-S130 PolarHBondContact O-N 3.04Å; P128-S130 PolarHBondContact O-N 2.78Å; S130-L132 PolarHBondContact O-N 3.43Å
131A94.5Very high96Very high32 Ų3257.1 Ų57.126%0.26430%0.3SS..  trans-68.5121.9-179.200000111P89 P128P89-A131 HydrophobicContact CB-CB 4.33Å; P89-A131 CarbonylContact O-C 3.45Å; P89-A131 VanDerWaalsContact O-CA 3.24Å; P89-A131 WeakPolarHBondContact O-CA 3.27Å; P128-A131 PolarHBondContact O-N 2.95Å
132L97.2Very high96Very high77 Ų7760.9 Ų60.940%0.40331%0.313SS..SBendtrans-90.4-22.6167.4-64-178.4000111.6P89 A92 E96 C98 S130P89-L132 PolarHBondContact O-N 3.4Å; A92-L132 HydrophobicContact CB-CB 4.11Å; A92-L132 HydrophobicContact CB-CD1 4.05Å; E96-L132 WeakPolarHBondContact O-CD1 3.31Å; C98-L132 HydrophobicContact CB-CD1 3.84Å; C98-L132 HydrophobicContact CB-CD2 4.38Å; C98-L132 HydrophobicContact CB-CG 3.88Å; S130-L132 PolarHBondContact O-N 3.43Å
133N97.7Very high96Very high35 Ų3567.6 Ų67.619%0.18734%0.337CS..SBendtrans-107.793.3170.8-178.2-21.9000107.9H88 P89 V91 E135 A136 G137H88-N133 WeakPolarHBondContact O-CB 3.1Å; P89-N133 PolarHBondContact O-N 3.36Å; V91-N133 WeakPolarHBondContact O-CB 3.26Å; N133-E135 PolarHBondContact O-N 3.33Å; N133-E135 PolarHBondContact OD1-N 2.84Å; N133-A136 HydrophobicContact CB-CB 3.99Å; N133-A136 VanDerWaalsContact CG-CB 3.48Å; N133-A136 PolarHBondContact O-N 2.86Å; N133-A136 PolarHBondContact OD1-N 2.75Å; N133-G137 PolarHBondContact O-N 3.39Å
134E96.4Very high96Very high165 Ų16571.8 Ų71.877%0.77135%0.353SS*.Hα-helixtrans-57.9-38-178-65.2-179.4-176.200112.2G137 K138E134-G137 PolarHBondContact O-N 3.4Å; E134-K138 VanDerWaalsContact O-CB 3.31Å; E134-K138 WeakPolarHBondContact O-CB 3.45Å; E134-K138 PolarHBondContact O-N 3.17Å
135E97.2Very high96Very high88 Ų8874.6 Ų74.641%0.41137%0.369SS..Hα-helixtrans-62.9-49.4177.6-176-177.7-157.800111.2F87 N133 G137 K138 M139 R150F87-E135 HydrophobicContact CZ-CG 4.34Å; N133-E135 PolarHBondContact O-N 3.33Å; N133-E135 PolarHBondContact OD1-N 2.84Å; E135-G137 VanDerWaalsContact C-N 3.33Å; E135-G137 PolarHBondContact O-N 2.87Å; E135-K138 PolarHBondContact O-N 3.27Å; E135-M139 HydrophobicContact CG-CE 3.61Å; E135-M139 HydrophobicContact CG-SD 4.34Å; E135-M139 WeakPolarHBondContact O-CG 3.5Å; E135-M139 PolarHBondContact O-N 2.97Å; E135-M139 VanDerWaalsContact OE1-CE 3.29Å; E135-M139 WeakPolarHBondContact OE1-CE 3.11Å; E135-R150 IonicContact OE1-CZ 3.64Å; E135-R150 IonicContact OE1-NH1 2.66Å; E135-R150 PolarHBondContact OE1-NH1 2.78Å; E135-R150 IonicContact OE1-NH2 2.73Å; E135-R150 IonicContact OE2-CZ 3.27Å; E135-R150 VanDerWaalsContact OE2-CZ 3.27Å; E135-R150 IonicContact OE2-NH1 3.05Å; E135-R150 PolarHBondContact OE2-NH1 2.76Å; E135-R150 IonicContact OE2-NH2 3.76Å; E135-R150 PolarHBondContact OE2-NH2 2.92Å
136A98Very high96.1Very high0 Ų075 Ų750%037%0.369CS..Hα-helixtrans-63.1-40.1176.200000111.7F87 P89 N133 L140 Y147F87-A136 HydrophobicContact CD1-CB 4.24Å; F87-A136 HydrophobicContact CD2-CB 4.27Å; F87-A136 HydrophobicContact CE1-CB 3.78Å; F87-A136 HydrophobicContact CE2-CB 3.8Å; F87-A136 HydrophobicContact CG-CB 4.48Å; F87-A136 VanDerWaalsContact CZ-CA 3.5Å; F87-A136 HydrophobicContact CZ-CB 3.54Å; P89-A136 HydrophobicContact CG-CB 4.14Å; N133-A136 HydrophobicContact CB-CB 3.99Å; N133-A136 VanDerWaalsContact CG-CB 3.48Å; N133-A136 PolarHBondContact O-N 2.86Å; N133-A136 PolarHBondContact OD1-N 2.75Å; A136-L140 VanDerWaalsContact O-CB 3.29Å; A136-L140 WeakPolarHBondContact O-CB 3.34Å; A136-L140 PolarHBondContact O-N 2.99Å; A136-Y147 HydrophobicContact CB-CE2 4.42Å
137G97.3Very high96.2Very high5 Ų574.1 Ų74.15%0.05236%0.363CS..Hα-helixtrans-61.8-46175.900000112.7N133 E134 E135 L140 L141N133-G137 PolarHBondContact O-N 3.39Å; E134-G137 PolarHBondContact O-N 3.4Å; E135-G137 VanDerWaalsContact C-N 3.33Å; E135-G137 PolarHBondContact O-N 2.87Å; G137-L140 WeakPolarHBondContact O-CB 3.28Å; G137-L140 PolarHBondContact O-N 3.02Å; G137-L141 PolarHBondContact O-N 2.82Å
138K97.5Very high96.4Very high122 Ų12273.3 Ų73.353%0.5336%0.36SS..Hα-helixtrans-63.9-48.7176.7-174.4177.2-179.5176.40111.9E134 E135 L140 L141 E142E134-K138 VanDerWaalsContact O-CB 3.31Å; E134-K138 WeakPolarHBondContact O-CB 3.45Å; E134-K138 PolarHBondContact O-N 3.17Å; E135-K138 PolarHBondContact O-N 3.27Å; K138-L140 VanDerWaalsContact C-N 3.3Å; K138-L140 PolarHBondContact O-N 3.06Å; K138-L141 PolarHBondContact O-N 3.15Å; K138-E142 VanDerWaalsContact CE-CD 3.43Å; K138-E142 VanDerWaalsContact CE-OE1 3.25Å; K138-E142 WeakPolarHBondContact CE-OE1 3.31Å; K138-E142 WeakPolarHBondContact CE-OE2 3.45Å; K138-E142 HydrophobicContact CG-CG 4.32Å; K138-E142 WeakPolarHBondContact CG-OE1 3.31Å; K138-E142 WeakPolarHBondContact O-CB 3.2Å; K138-E142 PolarHBondContact O-N 3.19Å
139M97.6Very high96.8Very high44 Ų4477.6 Ų77.622%0.21738%0.376CS..Hα-helixtrans-62.2-38177.5-67.8-179.7-175.500111.7F87 E135 L141 R143 Y144F87-M139 HydrophobicContact CE1-SD 4.19Å; F87-M139 HydrophobicContact CZ-SD 3.97Å; E135-M139 HydrophobicContact CG-CE 3.61Å; E135-M139 HydrophobicContact CG-SD 4.34Å; E135-M139 WeakPolarHBondContact O-CG 3.5Å; E135-M139 PolarHBondContact O-N 2.97Å; E135-M139 VanDerWaalsContact OE1-CE 3.29Å; E135-M139 WeakPolarHBondContact OE1-CE 3.11Å; M139-L141 VanDerWaalsContact C-N 3.27Å; M139-L141 PolarHBondContact O-N 3.01Å; M139-R143 CarbonylContact O-C 2.87Å; M139-R143 WeakPolarHBondContact O-CA 3.48Å; M139-R143 PolarHBondContact O-N 2.95Å; M139-Y144 PolarHBondContact O-N 3.1Å
140L97.5Very high97.2Very high26 Ų2673.5 Ų73.514%0.13635%0.353CS..Hα-helixtrans-56.6-42.8176.3-17979.3000111.9P89 P126 P128 A136 G137 K138 Y144 Y147P89-L140 HydrophobicContact CG-CB 4.31Å; P89-L140 HydrophobicContact CG-CD2 4.07Å; P126-L140 HydrophobicContact CB-CD2 3.89Å; P126-L140 HydrophobicContact CG-CD1 4.21Å; P126-L140 HydrophobicContact CG-CD2 4.37Å; P128-L140 HydrophobicContact CB-CD2 4.31Å; A136-L140 VanDerWaalsContact O-CB 3.29Å; A136-L140 WeakPolarHBondContact O-CB 3.34Å; A136-L140 PolarHBondContact O-N 2.99Å; G137-L140 WeakPolarHBondContact O-CB 3.28Å; G137-L140 PolarHBondContact O-N 3.02Å; K138-L140 VanDerWaalsContact C-N 3.3Å; K138-L140 PolarHBondContact O-N 3.06Å; L140-Y144 HydrophobicContact CD1-CD2 4.07Å; L140-Y144 HydrophobicContact CD1-CE2 4.11Å; L140-Y147 HydrophobicContact CB-CD2 4.5Å; L140-Y147 HydrophobicContact CB-CG 4.42Å; L140-Y147 HydrophobicContact CD1-CD1 3.72Å; L140-Y147 HydrophobicContact CD1-CE1 3.45Å; L140-Y147 VanDerWaalsContact CD1-CE1 3.45Å; L140-Y147 HydrophobicContact CD1-CG 4.33Å
141L96.9Very high97.6Very high124 Ų12472.2 Ų72.265%0.64934%0.344SS*.Hα-helixtrans-81.1-43-176.5-67.1176.1000112.9P128 G137 K138 M139P128-L141 HydrophobicContact CB-CD1 4.02Å; P128-L141 HydrophobicContact CB-CD2 3.97Å; P128-L141 HydrophobicContact CB-CG 4.06Å; P128-L141 HydrophobicContact CG-CD2 3.99Å; G137-L141 PolarHBondContact O-N 2.82Å; K138-L141 PolarHBondContact O-N 3.15Å; M139-L141 VanDerWaalsContact C-N 3.27Å; M139-L141 PolarHBondContact O-N 3.01Å
142E97.4Very high97.8Very high125 Ų12575.6 Ų75.658%0.58435%0.35SS*.Hα-helixtrans-97.3-32.8-169.9-62.9178.4-169.800113.3K138K138-E142 VanDerWaalsContact CE-CD 3.43Å; K138-E142 VanDerWaalsContact CE-OE1 3.25Å; K138-E142 WeakPolarHBondContact CE-OE1 3.31Å; K138-E142 WeakPolarHBondContact CE-OE2 3.45Å; K138-E142 HydrophobicContact CG-CG 4.32Å; K138-E142 WeakPolarHBondContact CG-OE1 3.31Å; K138-E142 WeakPolarHBondContact O-CB 3.2Å; K138-E142 PolarHBondContact O-N 3.19Å
143R97.3Very high97.8Very high158 Ų15877 Ų7760%0.59636%0.356SS*.  trans-144.364.4-170.2-58.7-171.7-170.6171.5-0111.3M139 D145 D146 Y147M139-R143 CarbonylContact O-C 2.87Å; M139-R143 WeakPolarHBondContact O-CA 3.48Å; M139-R143 PolarHBondContact O-N 2.95Å; R143-D145 PolarHBondContact O-N 2.79Å; R143-D145 VanDerWaalsContact O-N 3.17Å; R143-D146 HydrophobicContact CB-CB 4.03Å; R143-D146 WeakPolarHBondContact CD-OD2 3.29Å; R143-D146 WeakPolarHBondContact O-CB 3.42Å; R143-D146 PolarHBondContact O-N 2.81Å; R143-D146 VanDerWaalsContact O-N 3.07Å; R143-Y147 PolarHBondContact O-N 2.88Å
144Y97.3Very high97.8Very high91 Ų9177.7 Ų77.736%0.35736%0.359SS..Hα-helixtrans-55.8-36.9-173.7-179.2-91000113.6M139 L140 Y147 S148M139-Y144 PolarHBondContact O-N 3.1Å; L140-Y144 HydrophobicContact CD1-CD2 4.07Å; L140-Y144 HydrophobicContact CD1-CE2 4.11Å; Y144-Y147 HydrophobicContact CD2-CD1 4.18Å; Y144-Y147 HydrophobicContact CE2-CD1 4.13Å; Y144-Y147 HydrophobicContact CE2-CE1 4.32Å; Y144-Y147 PolarHBondContact O-N 2.81Å; Y144-S148 VanDerWaalsContact O-CB 3.28Å; Y144-S148 WeakPolarHBondContact O-CB 3.45Å; Y144-S148 PolarHBondContact O-N 2.82Å
145D98.3Very high97.9Very high104 Ų10470 Ų7056%0.55632%0.323SS*.Hα-helixtrans-67.3-39-179.6-64.7-27.3000111R143 S148 Q149 K195R143-D145 PolarHBondContact O-N 2.79Å; R143-D145 VanDerWaalsContact O-N 3.17Å; D145-S148 PolarHBondContact O-N 2.79Å; D145-Q149 WeakPolarHBondContact O-CB 3.27Å; D145-Q149 PolarHBondContact O-N 3.36Å; D145-K195 IonicContact OD1-NZ 2.93Å; D145-K195 PolarHBondContact OD1-NZ 2.93Å; D145-K195 IonicContact OD2-NZ 3.8Å
146D98.3Very high97.9Very high76 Ų7671.2 Ų71.241%0.40633%0.328SS..Hα-helixtrans-64.8-46.2173.7-63.2-7.1000111.2R143 S148 Q149 R150R143-D146 HydrophobicContact CB-CB 4.03Å; R143-D146 WeakPolarHBondContact CD-OD2 3.29Å; R143-D146 WeakPolarHBondContact O-CB 3.42Å; R143-D146 PolarHBondContact O-N 2.81Å; R143-D146 VanDerWaalsContact O-N 3.07Å; D146-S148 VanDerWaalsContact C-N 3.32Å; D146-S148 PolarHBondContact O-N 3.23Å; D146-Q149 PolarHBondContact O-N 2.8Å; D146-R150 PolarHBondContact O-N 2.87Å
147Y98.5Very high97.9Very high3 Ų376.4 Ų76.41%0.01236%0.355CS..Hα-helixtrans-55.2-49.9173.3163.3-102.9000110.9P57 Y58 F87 P89 A136 L140 R143 Y144 Q149 R150 A151P57-Y147 HydrophobicContact CG-CE1 4.27Å; Y58-Y147 PolarHBondContact OH-OH 3.38Å; F87-Y147 HydrophobicContact CD1-CD2 4.17Å; F87-Y147 HydrophobicContact CD1-CE2 4.31Å; F87-Y147 AromaticContact CE1-CD2 3.85Å; F87-Y147 HydrophobicContact CE1-CD2 3.85Å; F87-Y147 HydrophobicContact CE1-CE2 4.36Å; P89-Y147 HydrophobicContact CG-CE2 4.2Å; A136-Y147 HydrophobicContact CB-CE2 4.42Å; L140-Y147 HydrophobicContact CB-CD2 4.5Å; L140-Y147 HydrophobicContact CB-CG 4.42Å; L140-Y147 HydrophobicContact CD1-CD1 3.72Å; L140-Y147 HydrophobicContact CD1-CE1 3.45Å; L140-Y147 VanDerWaalsContact CD1-CE1 3.45Å; L140-Y147 HydrophobicContact CD1-CG 4.33Å; R143-Y147 PolarHBondContact O-N 2.88Å; Y144-Y147 HydrophobicContact CD2-CD1 4.18Å; Y144-Y147 HydrophobicContact CE2-CD1 4.13Å; Y144-Y147 HydrophobicContact CE2-CE1 4.32Å; Y144-Y147 PolarHBondContact O-N 2.81Å; Y147-Q149 VanDerWaalsContact C-N 3.33Å; Y147-Q149 PolarHBondContact O-N 3.21Å; Y147-R150 PolarHBondContact O-N 2.98Å; Y147-A151 HydrophobicContact CE2-CB 4.43Å; Y147-A151 VanDerWaalsContact O-CB 3.28Å; Y147-A151 WeakPolarHBondContact O-CB 3.22Å; Y147-A151 PolarHBondContact O-N 2.91Å
148S98.5Very high97.9Very high18 Ų1879.7 Ų79.713%0.12637%0.369CS..Hα-helixtrans-65.2-37.4-177.3-176.50000111.7P57 Y144 D145 D146 R152P57-S148 WeakPolarHBondContact CB-O 3.39Å; Y144-S148 VanDerWaalsContact O-CB 3.28Å; Y144-S148 WeakPolarHBondContact O-CB 3.45Å; Y144-S148 PolarHBondContact O-N 2.82Å; D145-S148 PolarHBondContact O-N 2.79Å; D146-S148 VanDerWaalsContact C-N 3.32Å; D146-S148 PolarHBondContact O-N 3.23Å; S148-R152 WeakPolarHBondContact O-CB 3.32Å; S148-R152 PolarHBondContact O-N 3.37Å
149Q98.6Very high97.9Very high135 Ų13573.9 Ų73.963%0.63134%0.344SS*.Hα-helixtrans-66.5-46.6177.3-174.9177.150.900110.9D145 D146 Y147 R152 M153D145-Q149 WeakPolarHBondContact O-CB 3.27Å; D145-Q149 PolarHBondContact O-N 3.36Å; D146-Q149 PolarHBondContact O-N 2.8Å; Y147-Q149 VanDerWaalsContact C-N 3.33Å; Y147-Q149 PolarHBondContact O-N 3.21Å; Q149-R152 PolarHBondContact O-N 2.93Å; Q149-M153 WeakPolarHBondContact O-CB 3.4Å; Q149-M153 PolarHBondContact O-N 2.91Å
150R98.4Very high97.6Very high89 Ų8976.1 Ų76.134%0.33635%0.354SS..Hα-helixtrans-66.6-44.2179-177.5168.8175.2179.8-10.5112.8F87 E135 D146 Y147 R152 M153 M154F87-R150 HydrophobicContact CD1-CB 4.18Å; F87-R150 HydrophobicContact CD1-CG 3.81Å; F87-R150 HydrophobicContact CE1-CB 4.18Å; F87-R150 HydrophobicContact CE1-CG 3.96Å; F87-R150 VanDerWaalsContact CE2-CZ 3.47Å; F87-R150 HydrophobicContact CG-CG 4.12Å; F87-R150 HydrophobicContact CZ-CG 4.4Å; E135-R150 IonicContact OE1-CZ 3.64Å; E135-R150 IonicContact OE1-NH1 2.66Å; E135-R150 PolarHBondContact OE1-NH1 2.78Å; E135-R150 IonicContact OE1-NH2 2.73Å; E135-R150 IonicContact OE2-CZ 3.27Å; E135-R150 VanDerWaalsContact OE2-CZ 3.27Å; E135-R150 IonicContact OE2-NH1 3.05Å; E135-R150 PolarHBondContact OE2-NH1 2.76Å; E135-R150 IonicContact OE2-NH2 3.76Å; E135-R150 PolarHBondContact OE2-NH2 2.92Å; D146-R150 PolarHBondContact O-N 2.87Å; Y147-R150 PolarHBondContact O-N 2.98Å; R150-R152 VanDerWaalsContact C-N 3.3Å; R150-R152 PolarHBondContact O-N 3.44Å; R150-M153 PolarHBondContact O-N 3.47Å; R150-M154 WeakPolarHBondContact O-CG 3.44Å; R150-M154 PolarHBondContact O-N 3.47Å
151A98.6Very high96.8Very high0 Ų077.9 Ų77.90%037%0.367CS..Hα-helixtrans-62.2-38.6176.500000111.9P57 Y58 F87 Y147 T155P57-A151 HydrophobicContact CB-CB 3.69Å; P57-A151 HydrophobicContact CG-CB 3.79Å; Y58-A151 HydrophobicContact CE1-CB 4.02Å; F87-A151 HydrophobicContact CD1-CB 4.31Å; Y147-A151 HydrophobicContact CE2-CB 4.43Å; Y147-A151 VanDerWaalsContact O-CB 3.28Å; Y147-A151 WeakPolarHBondContact O-CB 3.22Å; Y147-A151 PolarHBondContact O-N 2.91Å; A151-T155 WeakPolarHBondContact O-CB 3.23Å; A151-T155 PolarHBondContact O-N 3.11Å; A151-T155 PolarHBondContact O-OG1 2.79Å
152R98.5Very high95.4Very high102 Ų10276.9 Ų76.939%0.38538%0.376SS..Hα-helixtrans-64.2-49.9174.3-178.4-175.5-53.3-69.7-6.6111.9P57 S148 Q149 R150 M154 T155 E156P57-R152 HydrophobicContact CB-CB 4.37Å; P57-R152 WeakPolarHBondContact O-CA 3.45Å; S148-R152 WeakPolarHBondContact O-CB 3.32Å; S148-R152 PolarHBondContact O-N 3.37Å; Q149-R152 PolarHBondContact O-N 2.93Å; R150-R152 VanDerWaalsContact C-N 3.3Å; R150-R152 PolarHBondContact O-N 3.44Å; R152-M154 VanDerWaalsContact C-N 3.3Å; R152-M154 PolarHBondContact O-N 2.81Å; R152-T155 WeakPolarHBondContact O-CA 3.48Å; R152-T155 WeakPolarHBondContact O-CB 3.5Å; R152-T155 PolarHBondContact O-N 3.05Å; R152-E156 WeakPolarHBondContact CD-OE1 3.29Å; R152-E156 HydrophobicContact CG-CG 4.43Å; R152-E156 VanDerWaalsContact CG-OE1 3.23Å; R152-E156 WeakPolarHBondContact CG-OE1 3.46Å; R152-E156 WeakPolarHBondContact O-CG 3.41Å; R152-E156 PolarHBondContact O-N 3.24Å
153M98.2Very high93.2Very high108 Ų10879.7 Ų79.753%0.53239%0.386SS..Hα-helixtrans-56.2-45.6177.5-179.3-175.2-70.900111.6Q149 R150 T155 E156 I157Q149-M153 WeakPolarHBondContact O-CB 3.4Å; Q149-M153 PolarHBondContact O-N 2.91Å; R150-M153 PolarHBondContact O-N 3.47Å; M153-T155 VanDerWaalsContact C-N 3.33Å; M153-T155 PolarHBondContact O-N 3.03Å; M153-E156 PolarHBondContact O-N 3.27Å; M153-I157 HydrophobicContact CG-CD1 3.94Å; M153-I157 VanDerWaalsContact O-CG1 3.29Å; M153-I157 WeakPolarHBondContact O-CG1 3.11Å; M153-I157 PolarHBondContact O-N 2.98Å; M153-I157 VanDerWaalsContact O-N 3.1Å
154M98.2Very high90.1Very high49 Ų4978 Ų7824%0.24140%0.398CS..Hα-helixtrans-62.2-39.2176.4-75.6-72.7-66.700112.6K85 F87 R150 R152 I157 H158K85-M154 HydrophobicContact CB-CE 4.26Å; F87-M154 HydrophobicContact CB-CB 4.29Å; F87-M154 HydrophobicContact CB-CG 3.96Å; R150-M154 WeakPolarHBondContact O-CG 3.44Å; R150-M154 PolarHBondContact O-N 3.47Å; R152-M154 VanDerWaalsContact C-N 3.3Å; R152-M154 PolarHBondContact O-N 2.81Å; M154-I157 PolarHBondContact O-N 2.98Å; M154-H158 WeakPolarHBondContact O-CB 3.34Å; M154-H158 PolarHBondContact O-CD2 3.44Å; M154-H158 PolarHBondContact O-N 3.4Å
155T98.4Very high86.9Confident3 Ų377.4 Ų77.42%0.01842%0.419CS..Hα-helixtrans-64.2-44.5175.9-59.80000111.2Y58 F63 A151 R152 M153 I157 A159Y58-T155 WeakPolarHBondContact O-CG2 3.29Å; F63-T155 HydrophobicContact CE2-CG2 4.42Å; F63-T155 HydrophobicContact CZ-CG2 3.81Å; A151-T155 WeakPolarHBondContact O-CB 3.23Å; A151-T155 PolarHBondContact O-N 3.11Å; A151-T155 PolarHBondContact O-OG1 2.79Å; R152-T155 WeakPolarHBondContact O-CA 3.48Å; R152-T155 WeakPolarHBondContact O-CB 3.5Å; R152-T155 PolarHBondContact O-N 3.05Å; M153-T155 VanDerWaalsContact C-N 3.33Å; M153-T155 PolarHBondContact O-N 3.03Å; T155-I157 VanDerWaalsContact C-N 3.27Å; T155-I157 PolarHBondContact O-N 2.89Å; T155-A159 HydrophobicContact CG2-CB 4.05Å; T155-A159 WeakPolarHBondContact O-CA 3.45Å; T155-A159 WeakPolarHBondContact O-CB 3.38Å; T155-A159 PolarHBondContact O-N 3Å
156E97.6Very high84.1Confident113 Ų11378.9 Ų78.953%0.52843%0.431SS..Hα-helixtrans-62.4-32.9178.3-73.9169-17300112.7R152 M153 Q160R152-E156 WeakPolarHBondContact CD-OE1 3.29Å; R152-E156 HydrophobicContact CG-CG 4.43Å; R152-E156 VanDerWaalsContact CG-OE1 3.23Å; R152-E156 WeakPolarHBondContact CG-OE1 3.46Å; R152-E156 WeakPolarHBondContact O-CG 3.41Å; R152-E156 PolarHBondContact O-N 3.24Å; M153-E156 PolarHBondContact O-N 3.27Å; E156-Q160 WeakPolarHBondContact O-CG 3.4Å; E156-Q160 PolarHBondContact O-NE2 3.07Å
157I97.5Very high80.6Confident110 Ų11078.8 Ų78.856%0.56445%0.448SS*.Hα-helixtrans-83.4-42.7-179.5-64.6166.3000111.9M153 M154 T155M153-I157 HydrophobicContact CG-CD1 3.94Å; M153-I157 VanDerWaalsContact O-CG1 3.29Å; M153-I157 WeakPolarHBondContact O-CG1 3.11Å; M153-I157 PolarHBondContact O-N 2.98Å; M153-I157 VanDerWaalsContact O-N 3.1Å; M154-I157 PolarHBondContact O-N 2.98Å; T155-I157 VanDerWaalsContact C-N 3.27Å; T155-I157 PolarHBondContact O-N 2.89Å
158H97.7Very high77.5Confident73 Ų7383.6 Ų83.634%0.33849%0.488SS..Hα-helixtrans-108.7-23.3-165.1-64.8-56.3000115.1T84 K85 M154T84-H158 HydrophobicContact CG2-CB 4.23Å; T84-H158 VanDerWaalsContact CG2-O 3.31Å; T84-H158 WeakPolarHBondContact CG2-O 3.38Å; K85-H158 HydrophobicContact CB-CB 4.11Å; M154-H158 WeakPolarHBondContact O-CB 3.34Å; M154-H158 PolarHBondContact O-CD2 3.44Å; M154-H158 PolarHBondContact O-N 3.4Å
159A97.5Very high74.1Confident1 Ų189.2 Ų89.21%0.00852%0.522CS..SBendtrans-11120.3-171.200000112.7G61 I62 F63 T84 T155G61-A159 CarbonylContact C-O 3.56Å; G61-A159 VanDerWaalsContact CA-O 3.27Å; G61-A159 WeakPolarHBondContact CA-O 3.47Å; I62-A159 PolarHBondContact N-O 2.77Å; F63-A159 HydrophobicContact CD1-CB 4.02Å; F63-A159 HydrophobicContact CE1-CB 3.65Å; F63-A159 HydrophobicContact CE2-CB 4.27Å; F63-A159 HydrophobicContact CG-CB 4.49Å; F63-A159 HydrophobicContact CZ-CB 3.79Å; T84-A159 HydrophobicContact CG2-CB 3.84Å; T155-A159 HydrophobicContact CG2-CB 4.05Å; T155-A159 WeakPolarHBondContact O-CA 3.45Å; T155-A159 WeakPolarHBondContact O-CB 3.38Å; T155-A159 PolarHBondContact O-N 3Å
160Q91.2Very high70.8Confident91 Ų9186.3 Ų86.343%0.42553%0.528SS..  trans-67.6142174.1-64.5-59-6000110.5E156 A162E156-Q160 WeakPolarHBondContact O-CG 3.4Å; E156-Q160 PolarHBondContact O-NE2 3.07Å; Q160-A162 PolarHBondContact O-N 3.43Å
161P79.1Confident67.2Low63 Ų6389.4 Ų89.441%0.40955%0.551SS.*  trans-55132.716324.2-31000107.4I62 K163I62-P161 HydrophobicContact CD1-CB 3.83Å; P161-K163 VanDerWaalsContact C-N 3.34Å; P161-K163 PolarHBondContact O-N 3.02Å
162A69Low64.1Low102 Ų10294.2 Ų94.284%0.84359%0.591SS**  trans-54.6105.8170.200000106.8Q160 C164Q160-A162 PolarHBondContact O-N 3.43Å; A162-C164 VanDerWaalsContact C-N 3.34Å; A162-C164 PolarHBondContact O-N 2.73Å
163K49.9Very low60.5Low184 Ų18499.2 Ų99.280%0.862%0.615SS**  trans-62104.5172.1-70.6-177.2179.8176.70105.2P161 G165P161-K163 VanDerWaalsContact C-N 3.34Å; P161-K163 PolarHBondContact O-N 3.02Å; K163-G165 PolarHBondContact O-N 3.08Å
164C32.3Very low57.2Low124 Ų124101.7 Ų101.784%0.83863%0.631SS**  trans-48.2113.8152.1-88.20000105.7A162 V166A162-C164 VanDerWaalsContact C-N 3.34Å; A162-C164 PolarHBondContact O-N 2.73Å; C164-V166 PolarHBondContact O-N 3.14Å
165G31Very low53.7Low77 Ų77106.6 Ų106.679%0.79466%0.658SS**  trans-62108.5-177.400000110K163K163-G165 PolarHBondContact O-N 3.08Å
166V38.6Very low50.2Low136 Ų136109.7 Ų109.782%0.82469%0.69SS**  trans-135.2114.4155.3-172.60000105.9C164C164-V166 PolarHBondContact O-N 3.14Å
167G25.8Very low46.8Very low73 Ų73108 Ų10875%0.75370%0.703SS**  trans-69.5154.3-174.700000113.5
168A32.2Very low44Very low104 Ų104108.5 Ų108.586%0.8671%0.714SS**  trans-135.6106.6146.900000106.3
169V28.6Very low40.7Very low137 Ų137110.4 Ų110.483%0.8374%0.735SS**  trans-66139.9167171.70000108.3
170G27.9Very low37.4Very low73 Ų73116 Ų11675%0.75377%0.769SS**  trans-164.886.1171.700000109.7
171D23.9Very low34.3Very low155 Ų155120.7 Ų120.783%0.82979%0.788SS**  trans-58.5134.1167.1-74.7-69.5000111.5
172A33.2Very low32Very low101 Ų101126.6 Ų126.684%0.83581%0.808SS**  trans-159.6105.314700000109.8
173K22.4Very low30.3Very low206 Ų206129.7 Ų129.790%0.89680%0.804SS**  trans-65140.5153.7-63.9171.8175.9175.30108.2
174D29.2Very low30.1Very low160 Ų160125.7 Ų125.786%0.85681%0.805SS**  -178.9150.4119.7-164.629.7000111.1
175D24.5Very low30.6Very low152 Ų152122.6 Ų122.681%0.81379%0.794SS**  trans-70.6174.5-174.4-137.2-75.1000113.8
176G25.5Very low31.5Very low68 Ų68125.7 Ų125.770%0.70179%0.792SS**  trans116.381155.800000119.2
177G25.3Very low32.1Very low77 Ų77124.1 Ų124.179%0.79478%0.779SS**  86.5155.1118.300000121.2
178P38.9Very low33.8Very low122 Ų122127.5 Ų127.579%0.79277%0.773SS**  trans-114.5147.6-160.537-22.3000114.2
179S29.3Very low34.9Very low112 Ų112130.4 Ų130.478%0.78377%0.766SS**  trans-162.3118156.2-920000115.2
180T27.2Very low36.6Very low119 Ų119129.7 Ų129.773%0.7376%0.757SS**  trans55111.3131.864.40000122.9
181K27.1Very low38.3Very low189 Ų189131.9 Ų131.982%0.82275%0.748SS**  44.1111123.1-58.8-178.2-179.4176.20118.8
182K29.1Very low40.5Very low188 Ų188128.4 Ų128.482%0.81773%0.729SS**  152.9127.9115-84.5174.8-177.9178.40111.3
183H33.5Very low42.3Very low167 Ų167131 Ų13177%0.77372%0.721SS**  trans138.270.2149.7-77.8-71.5000113.2
184A45.8Very low44.8Very low99 Ų99128.7 Ų128.782%0.81871%0.711SS**  trans-94.623175.400000114.2
185G43.3Very low47Very low59 Ų59125.5 Ų125.561%0.60869%0.69SS**SBendtrans-100.8-25.4-169.400000116.8
186L50.2Low49.5Very low142 Ų142123.3 Ų123.374%0.74368%0.675SS**SBendtrans-97.2-27.4-169.9-81.9143.6000113.4K188L186-K188 PolarHBondContact O-N 3.47Å
187D52Low52Low103 Ų103126.7 Ų126.755%0.55167%0.67SS**Hα-helixtrans-71.2-34.3-175-63.1-49.9000113.4K189 L190 Q191D187-K189 PolarHBondContact O-N 3.04Å; D187-L190 PolarHBondContact O-N 2.97Å; D187-Q191 WeakPolarHBondContact O-CG 3.29Å; D187-Q191 PolarHBondContact O-N 3.34Å
188K59.7Low54.7Low145 Ų145126.3 Ų126.363%0.6365%0.65SS**Hα-helixtrans-65-43.6-177.7-166172.1-178.5174.70112.2L186 L190 Q191 D192L186-K188 PolarHBondContact O-N 3.47Å; K188-L190 VanDerWaalsContact C-N 3.33Å; K188-L190 PolarHBondContact O-N 3.2Å; K188-Q191 PolarHBondContact O-N 2.91Å; K188-D192 VanDerWaalsContact O-CG 3.24Å; K188-D192 PolarHBondContact O-N 3.45Å
189K55.5Low56.6Low165 Ų165125.3 Ų125.372%0.71764%0.637SS**Hα-helixtrans-65.2-34.1178.1-99.3-177.5176.9176.90113D187 K193D187-K189 PolarHBondContact O-N 3.04Å; K189-K193 PolarHBondContact O-N 3.18Å
190L64.2Low58.9Low122 Ų122125.6 Ų125.664%0.63962%0.624SS**Hα-helixtrans-73.4-39177.4-17363.2000111.2D187 K188 K194D187-L190 PolarHBondContact O-N 2.97Å; K188-L190 VanDerWaalsContact C-N 3.33Å; K188-L190 PolarHBondContact O-N 3.2Å; L190-K194 WeakPolarHBondContact O-CB 3.33Å; L190-K194 PolarHBondContact O-N 3.39Å
191Q65.3Low61.3Low118 Ų118124.2 Ų124.255%0.55161%0.609SS**Hα-helixtrans-64.7-42.2175.3-73.2-177.67.400112.1D187 K188 K194 K195D187-Q191 WeakPolarHBondContact O-CG 3.29Å; D187-Q191 PolarHBondContact O-N 3.34Å; K188-Q191 PolarHBondContact O-N 2.91Å; Q191-K194 PolarHBondContact O-N 2.92Å; Q191-K195 WeakPolarHBondContact O-CB 3.33Å; Q191-K195 WeakPolarHBondContact O-CG 3.26Å; Q191-K195 PolarHBondContact O-N 3.14Å
192D69.7Low63.9Low82 Ų82117.9 Ų117.944%0.43958%0.582SS.*Hα-helixtrans-64-44.1178.6-67.7-23.6000111.6K188 K194 K195 E196K188-D192 VanDerWaalsContact O-CG 3.24Å; K188-D192 PolarHBondContact O-N 3.45Å; D192-K194 VanDerWaalsContact C-N 3.33Å; D192-K194 PolarHBondContact O-N 2.89Å; D192-K195 PolarHBondContact O-N 3.28Å; D192-E196 PolarHBondContact O-N 3.37Å
193K70.7Confident66.3Low155 Ų155115.6 Ų115.667%0.67457%0.572SS**Hα-helixtrans-63.2-37.8174.8-78.5-174.7174.3-176.70112.6K189 K197K189-K193 PolarHBondContact O-N 3.18Å; K193-K197 PolarHBondContact O-N 3.3Å; K193-K197 VanDerWaalsContact O-N 3.12Å
194K74.4Confident68.3Low158 Ų158116 Ų11669%0.68757%0.567SS**Hα-helixtrans-69.8-39.6177.5-164.1172.5-178.6177.80111.3L190 Q191 D192 K197 L198L190-K194 WeakPolarHBondContact O-CB 3.33Å; L190-K194 PolarHBondContact O-N 3.39Å; Q191-K194 PolarHBondContact O-N 2.92Å; D192-K194 VanDerWaalsContact C-N 3.33Å; D192-K194 PolarHBondContact O-N 2.89Å; K194-K197 PolarHBondContact O-N 3Å; K194-L198 WeakPolarHBondContact O-CB 3.35Å; K194-L198 PolarHBondContact O-N 3.38Å
195K74.8Confident69.7Low93 Ų93117.4 Ų117.440%0.40456%0.558SS.*Hα-helixtrans-61.3-44.5173.7-78.6-178.6173.6-177.40111.2D145 Q191 D192 L198 L199D145-K195 IonicContact OD1-NZ 2.93Å; D145-K195 PolarHBondContact OD1-NZ 2.93Å; D145-K195 IonicContact OD2-NZ 3.8Å; Q191-K195 WeakPolarHBondContact O-CB 3.33Å; Q191-K195 WeakPolarHBondContact O-CG 3.26Å; Q191-K195 PolarHBondContact O-N 3.14Å; D192-K195 PolarHBondContact O-N 3.28Å; K195-L198 PolarHBondContact O-N 3.38Å; K195-L199 WeakPolarHBondContact O-CB 3.35Å; K195-L199 PolarHBondContact O-N 2.93Å
196E77.5Confident70.9Confident107 Ų107120 Ų12050%0.556%0.557SS.*Hα-helixtrans-65.3-42.5178.9-165.7-171.1160.400112.7D192 L199 K200D192-E196 PolarHBondContact O-N 3.37Å; E196-L199 PolarHBondContact O-N 3.45Å; E196-K200 WeakPolarHBondContact O-CG 3.37Å; E196-K200 PolarHBondContact O-N 3.02Å; E196-K200 WeakPolarHBondContact OE1-CE 3.45Å; E196-K200 IonicContact OE1-NZ 2.65Å; E196-K200 PolarHBondContact OE1-NZ 3.12Å
197K79Confident71.9Confident139 Ų139121.9 Ų121.960%0.60456%0.56SS**Hα-helixtrans-62.8-45.7177-172.1179.7175.2-174.40111.4K193 K194 L199 K200 E201K193-K197 PolarHBondContact O-N 3.3Å; K193-K197 VanDerWaalsContact O-N 3.12Å; K194-K197 PolarHBondContact O-N 3Å; K197-L199 VanDerWaalsContact C-N 3.34Å; K197-L199 PolarHBondContact O-N 2.93Å; K197-K200 PolarHBondContact O-N 2.59Å; K197-E201 WeakPolarHBondContact CE-OE1 3.42Å; K197-E201 PolarHBondContact O-N 3.11Å
198L80.7Confident72.7Confident68 Ų68127.7 Ų127.736%0.35657%0.574SS.*Hα-helixtrans-62.1-41.4178.8-157.190000111.4K194 K195 E201 K202K194-L198 WeakPolarHBondContact O-CB 3.35Å; K194-L198 PolarHBondContact O-N 3.38Å; K195-L198 PolarHBondContact O-N 3.38Å; L198-E201 PolarHBondContact O-N 3.35Å; L198-K202 WeakPolarHBondContact O-CB 3.29Å; L198-K202 VanDerWaalsContact O-CG 3.27Å; L198-K202 WeakPolarHBondContact O-CG 3.46Å; L198-K202 PolarHBondContact O-N 3.47Å
199L79.2Confident72.9Confident102 Ų102130 Ų13053%0.53459%0.592SS.*Hα-helixtrans-66.5-38.3178.2-171.266.6000112.2K195 E196 K197 K202 K203K195-L199 WeakPolarHBondContact O-CB 3.35Å; K195-L199 PolarHBondContact O-N 2.93Å; E196-L199 PolarHBondContact O-N 3.45Å; K197-L199 VanDerWaalsContact C-N 3.34Å; K197-L199 PolarHBondContact O-N 2.93Å; L199-K202 PolarHBondContact O-N 3.44Å; L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 3.19Å
200K77.4Confident73.8Confident117 Ų117128.2 Ų128.251%0.50959%0.585SS.*Hα-helixtrans-66.1-40.5175.1-76179-175.5169.30112.1E196 K197 R204E196-K200 WeakPolarHBondContact O-CG 3.37Å; E196-K200 PolarHBondContact O-N 3.02Å; E196-K200 WeakPolarHBondContact OE1-CE 3.45Å; E196-K200 IonicContact OE1-NZ 2.65Å; E196-K200 PolarHBondContact OE1-NZ 3.12Å; K197-K200 PolarHBondContact O-N 2.59Å; K200-R204 WeakPolarHBondContact O-CG 3.11Å; K200-R204 PolarHBondContact O-N 3.42Å
201E79Confident74.3Confident90 Ų90128.5 Ų128.542%0.42158%0.583SS.*Hα-helixtrans-66.7-42.3175-74172175.900111.5K197 L198 K203 R204 M205K197-E201 WeakPolarHBondContact CE-OE1 3.42Å; K197-E201 PolarHBondContact O-N 3.11Å; L198-E201 PolarHBondContact O-N 3.35Å; E201-K203 PolarHBondContact O-N 3.11Å; E201-R204 WeakPolarHBondContact O-CB 3.44Å; E201-R204 PolarHBondContact O-N 3.5Å; E201-R204 VanDerWaalsContact O-N 3.08Å; E201-M205 PolarHBondContact O-N 3.34Å
202K81.3Confident74.8Confident56 Ų56129.1 Ų129.124%0.24358%0.584CS.*Hα-helixtrans-58.4-45.3174-76.5-176.5178-1620112.5I124 L198 L199 R204 M205 L206I124-K202 HydrophobicContact CG2-CD 4.47Å; I124-K202 PolarHBondContact O-NZ 2.86Å; L198-K202 WeakPolarHBondContact O-CB 3.29Å; L198-K202 VanDerWaalsContact O-CG 3.27Å; L198-K202 WeakPolarHBondContact O-CG 3.46Å; L198-K202 PolarHBondContact O-N 3.47Å; L199-K202 PolarHBondContact O-N 3.44Å; K202-R204 VanDerWaalsContact C-N 3.26Å; K202-R204 PolarHBondContact O-N 2.97Å; K202-M205 PolarHBondContact O-N 3.04Å; K202-L206 PolarHBondContact O-N 3.17Å
203K78.5Confident75.1Confident140 Ų140131.9 Ų131.961%0.60959%0.593SS**Hα-helixtrans-64.1-27.3175.5-76.9-175.2177-176.50113.4L199 E201L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 3.19Å; E201-K203 PolarHBondContact O-N 3.11Å
204R76.6Confident75.3Confident176 Ų176130.4 Ų130.466%0.66459%0.588SS**Hα-helixtrans-78.7-39.4177.1-74.7173.5177.1-172.4-1.8112.1K200 E201 K202 K207K200-R204 WeakPolarHBondContact O-CG 3.11Å; K200-R204 PolarHBondContact O-N 3.42Å; E201-R204 WeakPolarHBondContact O-CB 3.44Å; E201-R204 PolarHBondContact O-N 3.5Å; E201-R204 VanDerWaalsContact O-N 3.08Å; K202-R204 VanDerWaalsContact C-N 3.26Å; K202-R204 PolarHBondContact O-N 2.97Å; R204-K207 PolarHBondContact O-N 2.93Å
205M73.7Confident75.4Confident128 Ų128128.6 Ų128.663%0.63158%0.581SS**Hα-helixtrans-64-42.2177.1-71.4-121-67.700111.9E201 K202 K207 R208E201-M205 PolarHBondContact O-N 3.34Å; K202-M205 PolarHBondContact O-N 3.04Å; M205-K207 PolarHBondContact O-N 3.11Å; M205-R208 PolarHBondContact O-N 3.48Å; M205-R208 VanDerWaalsContact O-N 3.1Å
206L70.5Confident75.4Confident114 Ų114131.1 Ų131.160%0.59759%0.594SS**THydrogen-bonded Turntrans-64.2-23.1178.8-163.571.9000113.5K202K202-L206 PolarHBondContact O-N 3.17Å
207K69.7Low75.3Confident182 Ų182133 Ų13379%0.79160%0.601SS**THydrogen-bonded Turntrans-85.5-9.2177.2-74.5-175.8176-169.50114R204 M205R204-K207 PolarHBondContact O-N 2.93Å; M205-K207 PolarHBondContact O-N 3.11Å
208R70.3Confident75Confident224 Ų224132.5 Ų132.585%0.84560%0.601SS**  trans-101.6-7.6-177.6-72.5-178.2174-172.1-3.4113.1M205M205-R208 PolarHBondContact O-N 3.48Å; M205-R208 VanDerWaalsContact O-N 3.1Å
209L62.6Low74.4Confident193 Ų193138.4 Ų138.4100%1.0162%0.623SS**  trans-95.50168.2-61.9174.3000108.2

Retrieved 209 of 209 residues in 140.9 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).