A0A5K4FD06_SCHMA Loading...

LisH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 275 aa.

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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
1M45.6Very low64.3Low225 Ų225132.1 Ų132.1100%1.10866%0.659SS**  065.40-170.3173.2-176.100108.2
2Y55.3Low65.8Low208 Ų208129.5 Ų129.582%0.81665%0.647SS**  trans-145.418.2-164.3-73.6-64.5000114.1
3T60.4Low67.3Low121 Ų121127.6 Ų127.674%0.74264%0.64SS**SBendtrans-106.2-12.1-16643.30000115.9
4L56.3Low68.9Low153 Ų153127.4 Ų127.480%0.80164%0.641SS**SBendtrans-85.1-40.3177.1-9378.8000113K6 M7L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 2.7Å; L4-M7 PolarHBondContact O-N 3.49Å
5D62.3Low70.4Confident126 Ų126127.5 Ų127.567%0.67464%0.636SS**Hα-helixtrans-63-41.2-175.6-146.736.6000111.4M7 G8 D9D5-M7 VanDerWaalsContact C-N 3.33Å; D5-M7 PolarHBondContact O-N 3.16Å; D5-G8 PolarHBondContact O-N 3.19Å; D5-G8 VanDerWaalsContact O-N 3.14Å; D5-D9 PolarHBondContact O-N 2.98Å
6K60.9Low71.7Confident121 Ų121124.9 Ų124.953%0.52662%0.621SS.*Hα-helixtrans-62.5-34.1178.6-68.4-65.8169.5-152.90114.4L4 G8 D9 E10L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 2.7Å; K6-G8 VanDerWaalsContact C-N 3.32Å; K6-D9 IonicContact NZ-OD2 3.44Å; K6-D9 PolarHBondContact NZ-OD2 2.96Å; K6-D9 PolarHBondContact O-N 3.47Å; K6-E10 WeakPolarHBondContact O-CB 3.29Å; K6-E10 WeakPolarHBondContact O-CG 3.39Å; K6-E10 PolarHBondContact O-N 3.21Å
7M60.1Low72.8Confident136 Ų136119.9 Ų119.967%0.6760%0.604SS**Hα-helixtrans-65.9-39.7176.7-160.188.8-159.600110.9L4 D5 E11L4-M7 PolarHBondContact O-N 3.49Å; D5-M7 VanDerWaalsContact C-N 3.33Å; D5-M7 PolarHBondContact O-N 3.16Å; M7-E11 WeakPolarHBondContact O-CB 3.43Å; M7-E11 PolarHBondContact O-N 2.97Å; M7-E11 VanDerWaalsContact O-N 3.07Å
8G73.2Confident73.9Confident30 Ų30118.8 Ų118.831%0.30960%0.6SS.*Hα-helixtrans-67.5-45.7175.400000112.3D5 K6 E10 E11 I12D5-G8 PolarHBondContact O-N 3.19Å; D5-G8 VanDerWaalsContact O-N 3.14Å; K6-G8 VanDerWaalsContact C-N 3.32Å; G8-E10 VanDerWaalsContact C-N 3.34Å; G8-E10 PolarHBondContact O-N 3.02Å; G8-E11 PolarHBondContact O-N 3.46Å; G8-I12 WeakPolarHBondContact O-CB 3.35Å; G8-I12 WeakPolarHBondContact O-CD1 3.25Å; G8-I12 WeakPolarHBondContact O-CG1 3.39Å; G8-I12 PolarHBondContact O-N 3.33Å
9D76.6Confident74.9Confident63 Ų63115.9 Ų115.934%0.33759%0.585SS.*Hα-helixtrans-55.2-48.2174.1-74.7-21.6000111.4D5 K6 I12 N13D5-D9 PolarHBondContact O-N 2.98Å; K6-D9 IonicContact NZ-OD2 3.44Å; K6-D9 PolarHBondContact NZ-OD2 2.96Å; K6-D9 PolarHBondContact O-N 3.47Å; D9-I12 PolarHBondContact O-N 3.11Å; D9-N13 WeakPolarHBondContact O-CB 3.46Å; D9-N13 VanDerWaalsContact O-CG 3.29Å; D9-N13 PolarHBondContact O-N 2.98Å; D9-N13 PolarHBondContact O-ND2 3.39Å
10E78.5Confident75.7Confident129 Ų129117.2 Ų117.260%0.60358%0.583SS**Hα-helixtrans-66.6-42.3-178.1-74.6175-15800112.3K6 G8 N13 L14K6-E10 WeakPolarHBondContact O-CB 3.29Å; K6-E10 WeakPolarHBondContact O-CG 3.39Å; K6-E10 PolarHBondContact O-N 3.21Å; G8-E10 VanDerWaalsContact C-N 3.34Å; G8-E10 PolarHBondContact O-N 3.02Å; E10-N13 PolarHBondContact O-N 3.43Å; E10-L14 WeakPolarHBondContact O-CB 3.39Å; E10-L14 PolarHBondContact O-N 3.32Å
11E78.5Confident76.5Confident141 Ų141114 Ų11466%0.65957%0.571SS**Hα-helixtrans-66-41175.9-171.5179.7175.400112.1M7 G8 L14 K15M7-E11 WeakPolarHBondContact O-CB 3.43Å; M7-E11 PolarHBondContact O-N 2.97Å; M7-E11 VanDerWaalsContact O-N 3.07Å; G8-E11 PolarHBondContact O-N 3.46Å; E11-L14 PolarHBondContact O-N 2.85Å; E11-K15 WeakPolarHBondContact O-CB 3.23Å; E11-K15 PolarHBondContact O-N 3.15Å
12I81.4Confident78.7Confident101 Ų101105.5 Ų105.552%0.51853%0.531SS..Hα-helixtrans-63.3-46.9175.2-69.8164.9000110.2G8 D9 L14 K15 E16G8-I12 WeakPolarHBondContact O-CB 3.35Å; G8-I12 WeakPolarHBondContact O-CD1 3.25Å; G8-I12 WeakPolarHBondContact O-CG1 3.39Å; G8-I12 PolarHBondContact O-N 3.33Å; D9-I12 PolarHBondContact O-N 3.11Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.06Å; I12-K15 PolarHBondContact O-N 3.28Å; I12-E16 HydrophobicContact CG2-CG 4.42Å; I12-E16 WeakPolarHBondContact O-CG 3.43Å; I12-E16 PolarHBondContact O-N 2.97Å
13N85.3Confident80.5Confident105 Ų105100 Ų10056%0.56152%0.515SS*.Hα-helixtrans-62.1-39.5177.7-78.2-56000112.2D9 E10 A17D9-N13 WeakPolarHBondContact O-CB 3.46Å; D9-N13 VanDerWaalsContact O-CG 3.29Å; D9-N13 PolarHBondContact O-N 2.98Å; D9-N13 PolarHBondContact O-ND2 3.39Å; E10-N13 PolarHBondContact O-N 3.43Å; N13-A17 VanDerWaalsContact O-CB 3.3Å; N13-A17 WeakPolarHBondContact O-CB 3.5Å; N13-A17 PolarHBondContact O-N 3.2Å
14L90.3Very high82Confident125 Ų125101.8 Ų101.865%0.65452%0.515SS*.Hα-helixtrans-65.3-42.9174.9-179.660.9000111.6E10 E11 I12 A17 L18E10-L14 WeakPolarHBondContact O-CB 3.39Å; E10-L14 PolarHBondContact O-N 3.32Å; E11-L14 PolarHBondContact O-N 2.85Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.06Å; L14-A17 PolarHBondContact O-N 3.18Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.34Å
15K91.6Very high83.7Confident128 Ų128100.7 Ų100.756%0.55751%0.506SS*.Hα-helixtrans-62.8-45.5175.9-177.7-172171.5-166.30111.9E11 I12 A17 L18 I19E11-K15 WeakPolarHBondContact O-CB 3.23Å; E11-K15 PolarHBondContact O-N 3.15Å; I12-K15 PolarHBondContact O-N 3.28Å; K15-A17 VanDerWaalsContact C-N 3.33Å; K15-A17 PolarHBondContact O-N 3.04Å; K15-L18 PolarHBondContact O-N 3.12Å; K15-I19 HydrophobicContact CG-CD1 3.98Å; K15-I19 VanDerWaalsContact O-CG1 3.31Å; K15-I19 WeakPolarHBondContact O-CG1 3.49Å; K15-I19 PolarHBondContact O-N 3.29Å
16E91.2Very high84.9Confident87 Ų8796 Ų9641%0.40749%0.487SS..Hα-helixtrans-69-29.6177-69.1-58.2143.900112.5I12 R20I12-E16 HydrophobicContact CG2-CG 4.42Å; I12-E16 WeakPolarHBondContact O-CG 3.43Å; I12-E16 PolarHBondContact O-N 2.97Å; E16-R20 WeakPolarHBondContact O-CB 3.27Å; E16-R20 WeakPolarHBondContact O-CG 3.48Å; E16-R20 PolarHBondContact O-N 3.42Å; E16-R20 PolarHBondContact O-NE 3.07Å
17A90.1Very high86.5Confident40 Ų4093.9 Ų93.933%0.33148%0.481SS..Hα-helixtrans-68.3-43.8169.400000111.8N13 L14 K15 R20 S21N13-A17 VanDerWaalsContact O-CB 3.3Å; N13-A17 WeakPolarHBondContact O-CB 3.5Å; N13-A17 PolarHBondContact O-N 3.2Å; L14-A17 PolarHBondContact O-N 3.18Å; K15-A17 VanDerWaalsContact C-N 3.33Å; K15-A17 PolarHBondContact O-N 3.04Å; A17-R20 PolarHBondContact O-N 3.41Å; A17-S21 WeakPolarHBondContact O-CB 2.95Å; A17-S21 PolarHBondContact O-N 3.5Å
18L93.1Very high87.9Confident99 Ų9989.8 Ų89.852%0.51846%0.461SS..Hα-helixtrans-63.8-44.2176.5-176.566.4000111.8L14 K15 R20 S21 L22L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.34Å; K15-L18 PolarHBondContact O-N 3.12Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 2.77Å; L18-S21 PolarHBondContact O-N 2.99Å; L18-L22 HydrophobicContact CD1-CD1 4.14Å; L18-L22 HydrophobicContact CD1-CG 4.14Å; L18-L22 HydrophobicContact CG-CD1 3.94Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.94Å
19I92.1Very high88.7Confident64 Ų6490.6 Ų90.633%0.32846%0.461SS..Hα-helixtrans-59.8-45.2176.2-72.5167.2000110.7K15 N23 L28K15-I19 HydrophobicContact CG-CD1 3.98Å; K15-I19 VanDerWaalsContact O-CG1 3.31Å; K15-I19 WeakPolarHBondContact O-CG1 3.49Å; K15-I19 PolarHBondContact O-N 3.29Å; I19-N23 VanDerWaalsContact O-CB 3.29Å; I19-N23 WeakPolarHBondContact O-CB 3.29Å; I19-N23 PolarHBondContact O-N 2.98Å; I19-L28 HydrophobicContact CB-CD1 4.46Å; I19-L28 HydrophobicContact CG2-CD1 3.97Å; I19-L28 WeakPolarHBondContact O-CD1 3.21Å
20R91.8Very high89.4Confident142 Ų14291.2 Ų91.254%0.53646%0.46SS..Hα-helixtrans-62.3-49.5176.2-76.3177.7-70157.5-2.7112.1E16 A17 L18 L22 N23 E24E16-R20 WeakPolarHBondContact O-CB 3.27Å; E16-R20 WeakPolarHBondContact O-CG 3.48Å; E16-R20 PolarHBondContact O-N 3.42Å; E16-R20 PolarHBondContact O-NE 3.07Å; A17-R20 PolarHBondContact O-N 3.41Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 2.77Å; R20-L22 PolarHBondContact O-N 3.19Å; R20-N23 PolarHBondContact O-N 3.15Å; R20-N23 VanDerWaalsContact O-N 3.09Å; R20-E24 WeakPolarHBondContact O-CB 3.28Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 3.12Å
21S91.6Very high90.1Very high49 Ų4990.1 Ų90.134%0.34346%0.458SS..Hα-helixtrans-57.2-47.9177.2165.10000112.3A17 L18 N23 E24 E25A17-S21 WeakPolarHBondContact O-CB 2.95Å; A17-S21 PolarHBondContact O-N 3.5Å; L18-S21 PolarHBondContact O-N 2.99Å; S21-N23 VanDerWaalsContact C-N 3.25Å; S21-N23 PolarHBondContact O-N 2.82Å; S21-E24 PolarHBondContact O-N 3.15Å; S21-E25 WeakPolarHBondContact O-CB 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.4Å; S21-E25 PolarHBondContact O-N 3.01Å
22L93Very high90.8Very high48 Ų4888.4 Ų88.425%0.25145%0.45SS..Hα-helixtrans-67.9-23177.6-65.9176.1000113.3L18 R20 I27 L28L18-L22 HydrophobicContact CD1-CD1 4.14Å; L18-L22 HydrophobicContact CD1-CG 4.14Å; L18-L22 HydrophobicContact CG-CD1 3.94Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.94Å; R20-L22 PolarHBondContact O-N 3.19Å; L22-I27 HydrophobicContact CB-CB 4.45Å; L22-I27 HydrophobicContact CD2-CB 4.23Å; L22-I27 HydrophobicContact CD2-CD1 3.77Å; L22-I27 HydrophobicContact CD2-CG2 4.22Å; L22-I27 WeakPolarHBondContact O-CA 3.35Å; L22-I27 WeakPolarHBondContact O-CB 3.31Å; L22-I27 PolarHBondContact O-N 3.15Å; L22-L28 HydrophobicContact CB-CD1 3.97Å; L22-L28 HydrophobicContact CB-CG 3.85Å; L22-L28 PolarHBondContact O-N 3.46Å
23N91.9Very high91.2Very high92 Ų9283.9 Ų83.949%0.49243%0.428SS..Hα-helixtrans-81.6-40173.8-170.667.2000111.9I19 R20 S21 G26 L28I19-N23 VanDerWaalsContact O-CB 3.29Å; I19-N23 WeakPolarHBondContact O-CB 3.29Å; I19-N23 PolarHBondContact O-N 2.98Å; R20-N23 PolarHBondContact O-N 3.15Å; R20-N23 VanDerWaalsContact O-N 3.09Å; S21-N23 VanDerWaalsContact C-N 3.25Å; S21-N23 PolarHBondContact O-N 2.82Å; N23-G26 PolarHBondContact O-N 3.49Å; N23-G26 VanDerWaalsContact O-N 3.08Å; N23-L28 HydrophobicContact CB-CD1 4.24Å
24E91.7Very high91.4Very high159 Ų15983.5 Ų83.574%0.74342%0.423SS*.Hα-helixtrans-65.2-38.8174.6-73.3169.4-160.800112R20 S21 G26R20-E24 WeakPolarHBondContact O-CB 3.28Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 3.12Å; S21-E24 PolarHBondContact O-N 3.15Å; E24-G26 PolarHBondContact O-N 3.31Å
25E91.7Very high91.7Very high130 Ų13082.9 Ų82.961%0.60742%0.419SS*.THydrogen-bonded Turntrans-73.9-5171.2-69.2-178.3-169.600113.5S21 I27S21-E25 WeakPolarHBondContact O-CB 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.4Å; S21-E25 PolarHBondContact O-N 3.01Å; E25-I27 HydrophobicContact CB-CD1 4.02Å; E25-I27 HydrophobicContact CB-CG1 4.07Å; E25-I27 PolarHBondContact O-N 3.33Å; E25-I27 VanDerWaalsContact OE2-CD1 3.25Å; E25-I27 WeakPolarHBondContact OE2-CD1 3.4Å
26G89.2Confident91.6Very high26 Ų2682.5 Ų82.527%0.26842%0.418SS..THydrogen-bonded Turntrans74.44.4179.600000115.4N23 E24 K30N23-G26 PolarHBondContact O-N 3.49Å; N23-G26 VanDerWaalsContact O-N 3.08Å; E24-G26 PolarHBondContact O-N 3.31Å; G26-K30 WeakPolarHBondContact O-CB 3.47Å; G26-K30 PolarHBondContact O-N 2.83Å; G26-K30 VanDerWaalsContact O-N 3.09Å
27I93Very high91.3Very high78 Ų7878.8 Ų78.840%0.440%0.402SS..Hα-helixtrans-66.1-44.7-178.7-62.5172000111.3L22 E25 K30 L31L22-I27 HydrophobicContact CB-CB 4.45Å; L22-I27 HydrophobicContact CD2-CB 4.23Å; L22-I27 HydrophobicContact CD2-CD1 3.77Å; L22-I27 HydrophobicContact CD2-CG2 4.22Å; L22-I27 WeakPolarHBondContact O-CA 3.35Å; L22-I27 WeakPolarHBondContact O-CB 3.31Å; L22-I27 PolarHBondContact O-N 3.15Å; E25-I27 HydrophobicContact CB-CD1 4.02Å; E25-I27 HydrophobicContact CB-CG1 4.07Å; E25-I27 PolarHBondContact O-N 3.33Å; E25-I27 VanDerWaalsContact OE2-CD1 3.25Å; E25-I27 WeakPolarHBondContact OE2-CD1 3.4Å; I27-K30 WeakPolarHBondContact O-CB 3.31Å; I27-K30 PolarHBondContact O-N 3.32Å; I27-L31 PolarHBondContact O-N 3.26Å
28L90.1Very high91.2Very high50 Ų5079.5 Ų79.526%0.26241%0.408SS..Hα-helixtrans-62.1-51.6177.5-85.3172000112.3I19 L22 N23 K30 L31 E32I19-L28 HydrophobicContact CB-CD1 4.46Å; I19-L28 HydrophobicContact CG2-CD1 3.97Å; I19-L28 WeakPolarHBondContact O-CD1 3.21Å; L22-L28 HydrophobicContact CB-CD1 3.97Å; L22-L28 HydrophobicContact CB-CG 3.85Å; L22-L28 PolarHBondContact O-N 3.46Å; N23-L28 HydrophobicContact CB-CD1 4.24Å; L28-K30 PolarHBondContact O-N 3.33Å; L28-L31 PolarHBondContact O-N 3.38Å; L28-E32 PolarHBondContact O-N 3.29Å
29P90.4Very high91Very high47 Ų4778.2 Ų78.231%0.30540%0.404SS..Hα-helixtrans-54.2-34.4171.4-30.336.1000114.4A33 N86P29-A33 WeakPolarHBondContact O-CB 3.48Å; P29-A33 PolarHBondContact O-N 3.26Å; P29-N86 WeakPolarHBondContact CB-ND2 3.28Å
30K91.2Very high90.6Very high75 Ų7578.1 Ų78.133%0.32640%0.4SS..Hα-helixtrans-71-44.4177.6-172.4161.8-177.1163.50112.4G26 I27 L28 A33 Q34 E85 N86G26-K30 WeakPolarHBondContact O-CB 3.47Å; G26-K30 PolarHBondContact O-N 2.83Å; G26-K30 VanDerWaalsContact O-N 3.09Å; I27-K30 WeakPolarHBondContact O-CB 3.31Å; I27-K30 PolarHBondContact O-N 3.32Å; L28-K30 PolarHBondContact O-N 3.33Å; K30-A33 PolarHBondContact O-N 3.13Å; K30-Q34 WeakPolarHBondContact O-CB 3.31Å; K30-Q34 VanDerWaalsContact O-CG 3.26Å; K30-Q34 WeakPolarHBondContact O-CG 3.42Å; K30-Q34 PolarHBondContact O-N 3.29Å; K30-E85 IonicContact NZ-OE2 2.63Å; K30-E85 PolarHBondContact NZ-OE2 2.9Å; K30-N86 VanDerWaalsContact CA-OD1 3.25Å; K30-N86 WeakPolarHBondContact CA-OD1 3.37Å; K30-N86 WeakPolarHBondContact CB-OD1 3.42Å; K30-N86 WeakPolarHBondContact CG-OD1 3.3Å; K30-N86 PolarHBondContact N-ND2 3.27Å
31L93.6Very high90.2Very high106 Ų10674.4 Ų74.456%0.55539%0.39SS*.Hα-helixtrans-64.2-40.5174.4-177.161.5000111.6I27 L28 Q34 L35I27-L31 PolarHBondContact O-N 3.26Å; L28-L31 PolarHBondContact O-N 3.38Å; L31-Q34 PolarHBondContact O-N 3.46Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 PolarHBondContact O-N 3.08Å
32E91.6Very high89.9Confident106 Ų10674.3 Ų74.350%0.49539%0.393SS..Hα-helixtrans-61.9-45.9173.5-81.2-163.3-161.900112.7L28 L35 K36L28-E32 PolarHBondContact O-N 3.29Å; E32-L35 PolarHBondContact O-N 3.36Å; E32-K36 WeakPolarHBondContact O-CB 3.28Å; E32-K36 WeakPolarHBondContact O-CD 3.11Å; E32-K36 VanDerWaalsContact O-CG 3.23Å; E32-K36 WeakPolarHBondContact O-CG 3.5Å; E32-K36 PolarHBondContact O-N 2.84Å; E32-K36 IonicContact OE2-NZ 2.64Å; E32-K36 PolarHBondContact OE2-NZ 3.1Å
33A89.9Confident89.4Confident6 Ų676.6 Ų76.65%0.0541%0.405CS..Hα-helixtrans-62.5-43.8178.200000111.3P29 K30 K36 A37 N86 V90P29-A33 WeakPolarHBondContact O-CB 3.48Å; P29-A33 PolarHBondContact O-N 3.26Å; K30-A33 PolarHBondContact O-N 3.13Å; A33-K36 PolarHBondContact O-N 3.38Å; A33-A37 VanDerWaalsContact O-CB 3.28Å; A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 2.9Å; A33-N86 HydrophobicContact CB-CB 3.82Å; A33-V90 HydrophobicContact CB-CG2 4.01Å
34Q91.2Very high88.4Confident97 Ų9773.6 Ų73.645%0.45339%0.388SS..Hα-helixtrans-62.9-39.6174.6-73.7174.9-12.500112.5K30 L31 A38K30-Q34 WeakPolarHBondContact O-CB 3.31Å; K30-Q34 VanDerWaalsContact O-CG 3.26Å; K30-Q34 WeakPolarHBondContact O-CG 3.42Å; K30-Q34 PolarHBondContact O-N 3.29Å; L31-Q34 PolarHBondContact O-N 3.46Å; Q34-A38 VanDerWaalsContact O-CB 3.27Å; Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 3.46Å
35L94.8Very high87.5Confident111 Ų11172.8 Ų72.858%0.58138%0.382SS*.Hα-helixtrans-67.2-44.1175.7-178.461.7000111.5L31 E32 A37 A38 V39L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 PolarHBondContact O-N 3.08Å; E32-L35 PolarHBondContact O-N 3.36Å; L35-A37 PolarHBondContact O-N 2.63Å; L35-A38 PolarHBondContact O-N 3.21Å; L35-V39 HydrophobicContact CD1-CG2 4.21Å; L35-V39 WeakPolarHBondContact O-CB 3.47Å; L35-V39 VanDerWaalsContact O-CG2 3.28Å; L35-V39 WeakPolarHBondContact O-CG2 3.43Å; L35-V39 PolarHBondContact O-N 2.87Å
36K90Very high86.4Confident120 Ų12073.3 Ų73.352%0.52238%0.384SS..Hα-helixtrans-58.7-46.8175.2-72.4162.9-169.9162.90110.9E32 A33 V39 Y40E32-K36 WeakPolarHBondContact O-CB 3.28Å; E32-K36 WeakPolarHBondContact O-CD 3.11Å; E32-K36 VanDerWaalsContact O-CG 3.23Å; E32-K36 WeakPolarHBondContact O-CG 3.5Å; E32-K36 PolarHBondContact O-N 2.84Å; E32-K36 IonicContact OE2-NZ 2.64Å; E32-K36 PolarHBondContact OE2-NZ 3.1Å; A33-K36 PolarHBondContact O-N 3.38Å; K36-V39 PolarHBondContact O-N 2.66Å; K36-Y40 WeakPolarHBondContact O-CB 3.25Å; K36-Y40 PolarHBondContact O-N 3.5Å
37A85.7Confident85Confident9 Ų974.9 Ų74.97%0.07439%0.386CS..Hα-helixtrans-59.2-48.2173.500000113.1A33 L35 V39 Y40 L41 D93A33-A37 VanDerWaalsContact O-CB 3.28Å; A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 2.9Å; L35-A37 PolarHBondContact O-N 2.63Å; A37-V39 PolarHBondContact O-N 2.98Å; A37-Y40 PolarHBondContact O-N 2.91Å; A37-L41 WeakPolarHBondContact O-CB 3.39Å; A37-L41 PolarHBondContact O-N 3.05Å; A37-D93 HydrophobicContact CB-CB 4.44Å; A37-D93 VanDerWaalsContact CB-OD2 3.24Å; A37-D93 WeakPolarHBondContact CB-OD2 3.4Å
38A88.2Confident83.2Confident55 Ų5577.2 Ų77.246%0.45539%0.391SS..Hα-helixtrans-65.4-38.4179.700000112.6Q34 L35 A42Q34-A38 VanDerWaalsContact O-CB 3.27Å; Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 3.46Å; L35-A38 PolarHBondContact O-N 3.21Å; A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 3Å
39V87.6Confident81.6Confident73 Ų7379.1 Ų79.144%0.44241%0.414SS..Hα-helixtrans-65.6-43.8173.4169.80000110.7L35 K36 A37 A42 L43L35-V39 HydrophobicContact CD1-CG2 4.21Å; L35-V39 WeakPolarHBondContact O-CB 3.47Å; L35-V39 VanDerWaalsContact O-CG2 3.28Å; L35-V39 WeakPolarHBondContact O-CG2 3.43Å; L35-V39 PolarHBondContact O-N 2.87Å; K36-V39 PolarHBondContact O-N 2.66Å; A37-V39 PolarHBondContact O-N 2.98Å; V39-A42 PolarHBondContact O-N 3.43Å; V39-L43 HydrophobicContact CG1-CD1 3.92Å; V39-L43 HydrophobicContact CG1-CG 4.37Å; V39-L43 WeakPolarHBondContact O-CB 3.5Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.39Å; V39-L43 PolarHBondContact O-N 3.21Å
40Y84.4Confident80.1Confident61 Ų6184.4 Ų84.424%0.23943%0.434CS..Hα-helixtrans-58.2-49.4174.8-177.2-96.4000111.4K36 A37 A42 L43 E44 S55 D93 E94K36-Y40 WeakPolarHBondContact O-CB 3.25Å; K36-Y40 PolarHBondContact O-N 3.5Å; A37-Y40 PolarHBondContact O-N 2.91Å; Y40-A42 VanDerWaalsContact C-N 3.34Å; Y40-A42 PolarHBondContact O-N 3.3Å; Y40-L43 PolarHBondContact O-N 3.01Å; Y40-E44 WeakPolarHBondContact O-CB 3.45Å; Y40-E44 PolarHBondContact O-N 3.08Å; Y40-S55 PolarHBondContact OH-OG 2.88Å; Y40-D93 HydrophobicContact CD1-CB 4.26Å; Y40-D93 WeakPolarHBondContact CE1-O 3.16Å; Y40-E94 PolarHBondContact OH-O 3.35Å
41L83.4Confident78.3Confident64 Ų6484 Ų8434%0.33545%0.452SS..Hα-helixtrans-62.7-37178-178.963.1000113A37 K45A37-L41 WeakPolarHBondContact O-CB 3.39Å; A37-L41 PolarHBondContact O-N 3.05Å; L41-K45 WeakPolarHBondContact O-CG 3.32Å; L41-K45 PolarHBondContact O-N 3.42Å; L41-K45 VanDerWaalsContact O-N 3.08Å
42A85.1Confident76.5Confident47 Ų4783 Ų8339%0.38845%0.446SS..Hα-helixtrans-67.2-44.2175.300000111.6A38 V39 Y40 K45 H46A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 3Å; V39-A42 PolarHBondContact O-N 3.43Å; Y40-A42 VanDerWaalsContact C-N 3.34Å; Y40-A42 PolarHBondContact O-N 3.3Å; A42-K45 PolarHBondContact O-N 3.02Å; A42-H46 PolarHBondContact O-CD2 3.48Å; A42-H46 VanDerWaalsContact O-CD2 3.27Å; A42-H46 PolarHBondContact O-N 3.15Å; A42-H46 VanDerWaalsContact O-N 3.13Å
43L82Confident74.8Confident96 Ų9683 Ų8350%0.50346%0.456SS..Hα-helixtrans-63.9-40.9174.7-70.3172.9000111.5V39 Y40 K45 H46 N47V39-L43 HydrophobicContact CG1-CD1 3.92Å; V39-L43 HydrophobicContact CG1-CG 4.37Å; V39-L43 WeakPolarHBondContact O-CB 3.5Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.39Å; V39-L43 PolarHBondContact O-N 3.21Å; Y40-L43 PolarHBondContact O-N 3.01Å; L43-K45 PolarHBondContact O-N 3Å; L43-H46 PolarHBondContact O-N 3.04Å; L43-N47 VanDerWaalsContact O-CB 3.27Å; L43-N47 WeakPolarHBondContact O-CB 3.37Å; L43-N47 PolarHBondContact O-N 3.36Å; L43-N47 PolarHBondContact O-ND2 3.02Å; L43-N47 PolarHBondContact O-OD1 3.26Å
44E72.6Confident73.3Confident29 Ų2986.3 Ų86.314%0.13647%0.472CS..Hα-helixtrans-56.8-51.4175.1-153.2-167.2163.800110.2Y40 H46 N47 Y48 R60 Q96Y40-E44 WeakPolarHBondContact O-CB 3.45Å; Y40-E44 PolarHBondContact O-N 3.08Å; E44-H46 VanDerWaalsContact C-N 3.32Å; E44-H46 PolarHBondContact O-N 3.4Å; E44-N47 PolarHBondContact O-N 2.9Å; E44-N47 VanDerWaalsContact O-N 3.1Å; E44-Y48 HydrophobicContact CB-CE2 4.35Å; E44-Y48 HydrophobicContact CG-CD2 4.5Å; E44-Y48 HydrophobicContact CG-CE2 3.65Å; E44-Y48 WeakPolarHBondContact O-CD2 3.29Å; E44-Y48 WeakPolarHBondContact O-CE2 3.4Å; E44-Y48 PolarHBondContact O-N 2.9Å; E44-Y48 VanDerWaalsContact O-N 3.12Å; E44-Y48 PolarHBondContact OE1-OH 3.3Å; E44-R60 IonicContact OE1-NH2 3.41Å; E44-R60 PolarHBondContact OE1-NH2 2.91Å; E44-Q96 PolarHBondContact OE1-NE2 2.87Å
45K72.9Confident72Confident142 Ų14284.3 Ų84.362%0.61747%0.469SS*.Hα-helixtrans-54.4-40.7176.9-77.5178.2-179.8-178.30113.9L41 A42 L43L41-K45 WeakPolarHBondContact O-CG 3.32Å; L41-K45 PolarHBondContact O-N 3.42Å; L41-K45 VanDerWaalsContact O-N 3.08Å; A42-K45 PolarHBondContact O-N 3.02Å; L43-K45 PolarHBondContact O-N 3Å
46H67.5Low70.8Confident141 Ų14181.7 Ų81.765%0.65346%0.455SS*.Hα-helixtrans-75.8-36.8176.3-78.8-73.6000112.7A42 L43 E44 Y48 A49A42-H46 PolarHBondContact O-CD2 3.48Å; A42-H46 VanDerWaalsContact O-CD2 3.27Å; A42-H46 PolarHBondContact O-N 3.15Å; A42-H46 VanDerWaalsContact O-N 3.13Å; L43-H46 PolarHBondContact O-N 3.04Å; E44-H46 VanDerWaalsContact C-N 3.32Å; E44-H46 PolarHBondContact O-N 3.4Å; H46-Y48 VanDerWaalsContact C-N 3.3Å; H46-Y48 PolarHBondContact O-N 3.43Å; H46-A49 WeakPolarHBondContact O-CB 3.39Å; H46-A49 PolarHBondContact O-N 2.91Å
47N60.2Low70.2Confident59 Ų5982 Ų8232%0.31646%0.459SS..Hα-helixtrans-66.9-26.7-179.4-70.3-13.1000113.3L43 E44 A49 E50 G51 I52L43-N47 VanDerWaalsContact O-CB 3.27Å; L43-N47 WeakPolarHBondContact O-CB 3.37Å; L43-N47 PolarHBondContact O-N 3.36Å; L43-N47 PolarHBondContact O-ND2 3.02Å; L43-N47 PolarHBondContact O-OD1 3.26Å; E44-N47 PolarHBondContact O-N 2.9Å; E44-N47 VanDerWaalsContact O-N 3.1Å; N47-A49 PolarHBondContact O-N 3.41Å; N47-E50 PolarHBondContact O-N 3.4Å; N47-G51 PolarHBondContact O-N 3.4Å; N47-I52 HydrophobicContact CB-CB 4.32Å; N47-I52 HydrophobicContact CB-CD1 4.13Å; N47-I52 WeakPolarHBondContact OD1-CD1 3.5Å
48Y54.9Low70.1Confident127 Ų12785.8 Ų85.850%0.49849%0.485SS..THydrogen-bonded Turntrans-57.1-25.4169.9-74.3-77.8000112.9E44 H46 L54 R60E44-Y48 HydrophobicContact CB-CE2 4.35Å; E44-Y48 HydrophobicContact CG-CD2 4.5Å; E44-Y48 HydrophobicContact CG-CE2 3.65Å; E44-Y48 WeakPolarHBondContact O-CD2 3.29Å; E44-Y48 WeakPolarHBondContact O-CE2 3.4Å; E44-Y48 PolarHBondContact O-N 2.9Å; E44-Y48 VanDerWaalsContact O-N 3.12Å; E44-Y48 PolarHBondContact OE1-OH 3.3Å; H46-Y48 VanDerWaalsContact C-N 3.3Å; H46-Y48 PolarHBondContact O-N 3.43Å; Y48-L54 HydrophobicContact CD1-CD2 4.02Å; Y48-L54 HydrophobicContact CE1-CD2 3.4Å; Y48-R60 PolarHBondContact OH-NH2 3.25Å
49A56.3Low70Confident91 Ų9185.1 Ų85.175%0.75247%0.473SS*.THydrogen-bonded Turntrans-88.4-23.6178.700000114H46 N47H46-A49 WeakPolarHBondContact O-CB 3.39Å; H46-A49 PolarHBondContact O-N 2.91Å; N47-A49 PolarHBondContact O-N 3.41Å
50E59.5Low69.8Low157 Ų15785.5 Ų85.573%0.73447%0.467SS*.THydrogen-bonded Turntrans-101.69.9-176.2-63.1-156.1161.800114.2N47 I52N47-E50 PolarHBondContact O-N 3.4Å; E50-I52 HydrophobicContact CB-CD1 4.38Å; E50-I52 PolarHBondContact O-N 3.45Å; E50-I52 VanDerWaalsContact O-N 3.16Å
51G53.9Low69.9Low68 Ų6886.3 Ų86.370%0.70148%0.481SS*.THydrogen-bonded Turntrans67.117.1172.100000114.8N47N47-G51 PolarHBondContact O-N 3.4Å
52I54.8Low70.3Confident84 Ų8486.4 Ų86.443%0.43148%0.481SS..  trans-65.8123.7174.7-65.2161.9000107.3N47 E50 L54N47-I52 HydrophobicContact CB-CB 4.32Å; N47-I52 HydrophobicContact CB-CD1 4.13Å; N47-I52 WeakPolarHBondContact OD1-CD1 3.5Å; E50-I52 HydrophobicContact CB-CD1 4.38Å; E50-I52 PolarHBondContact O-N 3.45Å; E50-I52 VanDerWaalsContact O-N 3.16Å; I52-L54 PolarHBondContact O-N 3.38Å
53P56.9Low70.5Confident107 Ų10785 Ų8570%0.69547%0.466SS*.  trans-59.6126.4-174.422.2-32.5000109.9S55P53-S55 PolarHBondContact O-N 2.85Å
54L57.3Low70.8Confident74 Ų7485.4 Ų85.439%0.38748%0.477SS..  trans-44.5113.4-179.1-64.2164.1000109.9Y48 I52 N56 Q57Y48-L54 HydrophobicContact CD1-CD2 4.02Å; Y48-L54 HydrophobicContact CE1-CD2 3.4Å; I52-L54 PolarHBondContact O-N 3.38Å; L54-N56 PolarHBondContact O-N 3.39Å; L54-Q57 HydrophobicContact CB-CG 4.33Å
55S64Low71.7Confident56 Ų5687 Ų8739%0.39249%0.489SS..THydrogen-bonded Turntrans-53.7143.2167.843.60000108.5Y40 P53Y40-S55 PolarHBondContact OH-OG 2.88Å; P53-S55 PolarHBondContact O-N 2.85Å
56N70.5Confident72.6Confident55 Ų5587.1 Ų87.129%0.29449%0.492SS..THydrogen-bonded Turntrans68.532172.4-51.8-27000116.1L54 S58 I59 R60 E94L54-N56 PolarHBondContact O-N 3.39Å; N56-S58 PolarHBondContact O-N 3.21Å; N56-I59 HydrophobicContact CB-CB 3.92Å; N56-I59 HydrophobicContact CB-CG2 3.54Å; N56-I59 WeakPolarHBondContact O-CG2 3.34Å; N56-I59 PolarHBondContact O-N 3.48Å; N56-R60 PolarHBondContact O-N 3.44Å; N56-E94 PolarHBondContact ND2-O 3.32Å
57Q77.4Confident73.8Confident127 Ų12786 Ų8659%0.59349%0.49SS*.Hα-helixtrans-50-40.4166.8-74.4-172.6-0.900113.1L54 I59 R60 S61L54-Q57 HydrophobicContact CB-CG 4.33Å; Q57-I59 VanDerWaalsContact C-N 3.34Å; Q57-I59 PolarHBondContact O-N 2.86Å; Q57-R60 PolarHBondContact O-N 2.9Å; Q57-S61 PolarHBondContact O-N 3.05Å
58S82.4Confident75.3Confident88 Ų8883.1 Ų83.162%0.61548%0.475SS*.Hα-helixtrans-59.2-42.9174.248.60000112.3N56 S61 L62N56-S58 PolarHBondContact O-N 3.21Å; S58-S61 PolarHBondContact O-N 3.27Å; S58-S61 PolarHBondContact O-OG 3.31Å; S58-L62 PolarHBondContact O-N 2.94Å
59I86.2Confident77.2Confident41 Ų4179.3 Ų79.321%0.2146%0.463CS..Hα-helixtrans-68.3-40.2178.2-127.2172.5000111.4N56 Q57 S61 L62 W63 A95N56-I59 HydrophobicContact CB-CB 3.92Å; N56-I59 HydrophobicContact CB-CG2 3.54Å; N56-I59 WeakPolarHBondContact O-CG2 3.34Å; N56-I59 PolarHBondContact O-N 3.48Å; Q57-I59 VanDerWaalsContact C-N 3.34Å; Q57-I59 PolarHBondContact O-N 2.86Å; I59-S61 VanDerWaalsContact C-N 3.29Å; I59-S61 PolarHBondContact O-N 2.81Å; I59-L62 WeakPolarHBondContact O-CB 3.28Å; I59-L62 PolarHBondContact O-N 2.93Å; I59-L62 VanDerWaalsContact O-N 3.11Å; I59-W63 HydrophobicContact CD1-CZ2 3.68Å; I59-W63 HydrophobicContact CG1-CH2 4.31Å; I59-W63 HydrophobicContact CG1-CZ2 3.57Å; I59-W63 PolarHBondContact O-N 3.47Å; I59-A95 HydrophobicContact CD1-CB 3.76Å
60R84.2Confident78.9Confident82 Ų8275.7 Ų75.731%0.30943%0.431SS..Hα-helixtrans-61.6-39.3174.5-62.7-176-167.1-102.116.2111.4E44 Y48 N56 Q57 L62 W63 S64 Q96E44-R60 IonicContact OE1-NH2 3.41Å; E44-R60 PolarHBondContact OE1-NH2 2.91Å; Y48-R60 PolarHBondContact OH-NH2 3.25Å; N56-R60 PolarHBondContact O-N 3.44Å; Q57-R60 PolarHBondContact O-N 2.9Å; R60-L62 VanDerWaalsContact C-N 3.34Å; R60-W63 PolarHBondContact O-N 3.05Å; R60-S64 PolarHBondContact O-N 2.88Å; R60-S64 PolarHBondContact O-OG 2.86Å; R60-Q96 VanDerWaalsContact NE-OE1 3.09Å; R60-Q96 VanDerWaalsContact NH2-CD 3.26Å
61S86.3Confident80.6Confident77 Ų7772.2 Ų72.254%0.53842%0.416SS..Hα-helixtrans-66.8-35.1174.673.20000112.6Q57 S58 I59 S64Q57-S61 PolarHBondContact O-N 3.05Å; S58-S61 PolarHBondContact O-N 3.27Å; S58-S61 PolarHBondContact O-OG 3.31Å; I59-S61 VanDerWaalsContact C-N 3.29Å; I59-S61 PolarHBondContact O-N 2.81Å; S61-S64 PolarHBondContact O-N 3.4Å
62L90.8Very high82.5Confident66 Ų6669 Ų6935%0.34638%0.383SS..Hα-helixtrans-67.4-48.9173.9-175.864.1000111.2S58 I59 R60 S64 T65 G68S58-L62 PolarHBondContact O-N 2.94Å; I59-L62 WeakPolarHBondContact O-CB 3.28Å; I59-L62 PolarHBondContact O-N 2.93Å; I59-L62 VanDerWaalsContact O-N 3.11Å; R60-L62 VanDerWaalsContact C-N 3.34Å; L62-S64 PolarHBondContact O-N 3.37Å; L62-S64 VanDerWaalsContact O-N 3.07Å; L62-T65 PolarHBondContact O-N 3.32Å; L62-T65 PolarHBondContact O-OG1 2.88Å; L62-G68 WeakPolarHBondContact O-CA 3.49Å
63W90.4Very high84.3Confident19 Ų1965.1 Ų65.17%0.07236%0.363CS..Hα-helixtrans-64.4-12.1177.5-54.7154.1000114.5I59 R60 T65 G68 I71 A72 A95 M97 L100I59-W63 HydrophobicContact CD1-CZ2 3.68Å; I59-W63 HydrophobicContact CG1-CH2 4.31Å; I59-W63 HydrophobicContact CG1-CZ2 3.57Å; I59-W63 PolarHBondContact O-N 3.47Å; R60-W63 PolarHBondContact O-N 3.05Å; W63-T65 VanDerWaalsContact C-N 3.28Å; W63-G68 VanDerWaalsContact CE3-O 3.29Å; W63-G68 VanDerWaalsContact CZ3-O 3.25Å; W63-G68 WeakPolarHBondContact CZ3-O 3.46Å; W63-I71 HydrophobicContact CZ3-CG2 4.41Å; W63-A72 HydrophobicContact CD2-CB 4.48Å; W63-A72 HydrophobicContact CE3-CB 3.89Å; W63-A72 HydrophobicContact CH2-CB 4.03Å; W63-A72 HydrophobicContact CZ3-CB 3.65Å; W63-A95 HydrophobicContact CZ2-CB 4.32Å; W63-A95 PolarHBondContact NE1-O 2.88Å; W63-M97 HydrophobicContact CH2-CE 3.73Å; W63-M97 HydrophobicContact CZ2-CE 3.33Å; W63-M97 HydrophobicContact CZ2-CG 4.37Å; W63-L100 HydrophobicContact CB-CD1 3.87Å; W63-L100 HydrophobicContact CB-CD2 3.79Å; W63-L100 HydrophobicContact CD2-CD1 3.98Å; W63-L100 HydrophobicContact CG-CD1 3.57Å; W63-L100 HydrophobicContact CG-CD2 4.31Å
64S87.5Confident86.1Confident104 Ų10460.7 Ų60.773%0.72733%0.334SS*.THydrogen-bonded Turntrans-83.3-1.9172.1-54.30000113.1R60 S61 L62R60-S64 PolarHBondContact O-N 2.88Å; R60-S64 PolarHBondContact O-OG 2.86Å; S61-S64 PolarHBondContact O-N 3.4Å; L62-S64 PolarHBondContact O-N 3.37Å; L62-S64 VanDerWaalsContact O-N 3.07Å
65T91.8Very high87.9Confident62 Ų6259.8 Ų59.838%0.3833%0.329SS..SBendtrans-108.8152.417675.30000111.8L62 W63 G68 L69L62-T65 PolarHBondContact O-N 3.32Å; L62-T65 PolarHBondContact O-OG1 2.88Å; W63-T65 VanDerWaalsContact C-N 3.28Å; T65-G68 PolarHBondContact O-N 3.15Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-G68 PolarHBondContact OG1-N 3.38Å; T65-L69 PolarHBondContact O-N 2.98Å
66E91.9Very high89.3Confident145 Ų14557.9 Ų57.968%0.67832%0.315SS*.Hα-helixtrans-58.3-49.2176.2-176173.1-171.200111.7G68 L69 I70E66-G68 PolarHBondContact O-N 2.98Å; E66-L69 PolarHBondContact O-N 2.95Å; E66-L69 VanDerWaalsContact O-N 3.15Å; E66-I70 HydrophobicContact CG-CD1 4.28Å; E66-I70 WeakPolarHBondContact O-CG1 3.42Å; E66-I70 PolarHBondContact O-N 3.48Å
67D92.2Very high90.4Very high116 Ų11656.3 Ų56.362%0.6231%0.306SS*.Hα-helixtrans-56-39.3174-69.2-29000112.2I70 I71D67-I70 PolarHBondContact O-N 3.41Å; D67-I71 WeakPolarHBondContact O-CD1 3.28Å; D67-I71 VanDerWaalsContact O-CG1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.19Å; D67-I71 PolarHBondContact O-N 3.18Å
68G93Very high91.2Very high0 Ų053.7 Ų53.70%029%0.293CS..Hα-helixtrans-66.9-41.4177.400000113L62 W63 T65 E66 I70 I71 A72L62-G68 WeakPolarHBondContact O-CA 3.49Å; W63-G68 VanDerWaalsContact CE3-O 3.29Å; W63-G68 VanDerWaalsContact CZ3-O 3.25Å; W63-G68 WeakPolarHBondContact CZ3-O 3.46Å; T65-G68 PolarHBondContact O-N 3.15Å; T65-G68 VanDerWaalsContact O-N 3.15Å; T65-G68 PolarHBondContact OG1-N 3.38Å; E66-G68 PolarHBondContact O-N 2.98Å; G68-I70 VanDerWaalsContact C-N 3.32Å; G68-I70 PolarHBondContact O-N 2.96Å; G68-I71 PolarHBondContact O-N 2.94Å; G68-A72 WeakPolarHBondContact O-CB 3.24Å; G68-A72 PolarHBondContact O-N 3.06Å
69L93.2Very high91.8Very high46 Ų4650.6 Ų50.624%0.24127%0.269CS..Hα-helixtrans-63.7-38.1173.2-69175.5000111.7T65 E66 A72 S73 L100 L103T65-L69 PolarHBondContact O-N 2.98Å; E66-L69 PolarHBondContact O-N 2.95Å; E66-L69 VanDerWaalsContact O-N 3.15Å; L69-A72 PolarHBondContact O-N 2.69Å; L69-S73 VanDerWaalsContact O-CB 3.28Å; L69-S73 WeakPolarHBondContact O-CB 3.21Å; L69-S73 PolarHBondContact O-N 2.99Å; L69-S73 PolarHBondContact O-OG 3.33Å; L69-L100 HydrophobicContact CD2-CB 4.27Å; L69-L100 HydrophobicContact CD2-CD1 4.48Å; L69-L100 HydrophobicContact CD2-CD2 4.3Å; L69-L103 HydrophobicContact CB-CD1 3.9Å
70I93.5Very high92.1Very high16 Ų1652.8 Ų52.88%0.08228%0.282CS..Hα-helixtrans-61.9-46.8172.7-65.5164.8000110.3E66 D67 G68 S73 L74 L108 I111 L112E66-I70 HydrophobicContact CG-CD1 4.28Å; E66-I70 WeakPolarHBondContact O-CG1 3.42Å; E66-I70 PolarHBondContact O-N 3.48Å; D67-I70 PolarHBondContact O-N 3.41Å; G68-I70 VanDerWaalsContact C-N 3.32Å; G68-I70 PolarHBondContact O-N 2.96Å; I70-S73 PolarHBondContact O-N 3.19Å; I70-L74 HydrophobicContact CG2-CD1 4.01Å; I70-L74 HydrophobicContact CG2-CG 4.38Å; I70-L74 WeakPolarHBondContact O-CB 3.3Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.47Å; I70-L74 PolarHBondContact O-N 2.95Å; I70-L108 HydrophobicContact CG2-CD2 4.06Å; I70-I111 HydrophobicContact CD1-CG2 3.85Å; I70-L112 HydrophobicContact CG2-CD1 4.16Å; I70-L112 HydrophobicContact CG2-CD2 4.24Å; I70-L112 HydrophobicContact CG2-CG 4.45Å
71I94.2Very high92.4Very high83 Ų8351.8 Ų51.843%0.42628%0.281SS..Hα-helixtrans-61.3-45.7177.6-70162.3000111.7W63 D67 G68 S73 L74 L75W63-I71 HydrophobicContact CZ3-CG2 4.41Å; D67-I71 WeakPolarHBondContact O-CD1 3.28Å; D67-I71 VanDerWaalsContact O-CG1 3.23Å; D67-I71 WeakPolarHBondContact O-CG1 3.19Å; D67-I71 PolarHBondContact O-N 3.18Å; G68-I71 PolarHBondContact O-N 2.94Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.49Å; I71-L74 PolarHBondContact O-N 3.16Å; I71-L75 WeakPolarHBondContact O-CB 3.35Å; I71-L75 PolarHBondContact O-N 3.32Å
72A94Very high92.7Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-58.4-47.7176.500000110.9W63 G68 L69 L75 V76 M97 L100 L102W63-A72 HydrophobicContact CD2-CB 4.48Å; W63-A72 HydrophobicContact CE3-CB 3.89Å; W63-A72 HydrophobicContact CH2-CB 4.03Å; W63-A72 HydrophobicContact CZ3-CB 3.65Å; G68-A72 WeakPolarHBondContact O-CB 3.24Å; G68-A72 PolarHBondContact O-N 3.06Å; L69-A72 PolarHBondContact O-N 2.69Å; A72-L75 PolarHBondContact O-N 2.93Å; A72-V76 VanDerWaalsContact O-CG2 3.28Å; A72-V76 WeakPolarHBondContact O-CG2 3.46Å; A72-V76 PolarHBondContact O-N 3.12Å; A72-M97 HydrophobicContact CB-CE 4.47Å; A72-L100 HydrophobicContact CB-CD1 4.47Å; A72-L102 HydrophobicContact CB-CD2 3.74Å
73S93.8Very high92.8Very high3 Ų358.2 Ų58.22%0.02130%0.3CS..Hα-helixtrans-67.8-37.9-177.1-52.30000112.1L69 I70 I71 V76 D77 L103L69-S73 VanDerWaalsContact O-CB 3.28Å; L69-S73 WeakPolarHBondContact O-CB 3.21Å; L69-S73 PolarHBondContact O-N 2.99Å; L69-S73 PolarHBondContact O-OG 3.33Å; I70-S73 PolarHBondContact O-N 3.19Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.49Å; S73-V76 PolarHBondContact O-N 3.32Å; S73-D77 WeakPolarHBondContact O-CB 3.49Å; S73-D77 PolarHBondContact O-N 2.88Å; S73-L103 PolarHBondContact OG-N 3.34Å
74L94.1Very high92.9Very high14 Ų1460.7 Ų60.77%0.07331%0.314CS..Hα-helixtrans-61.6-40.4171.3-77.6172.7000112.7I70 I71 F78 L108 L112 V123 L124 L127I70-L74 HydrophobicContact CG2-CD1 4.01Å; I70-L74 HydrophobicContact CG2-CG 4.38Å; I70-L74 WeakPolarHBondContact O-CB 3.3Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.47Å; I70-L74 PolarHBondContact O-N 2.95Å; I71-L74 PolarHBondContact O-N 3.16Å; L74-F78 WeakPolarHBondContact O-CB 3.23Å; L74-F78 PolarHBondContact O-N 3.3Å; L74-L108 HydrophobicContact CD2-CD1 4.39Å; L74-L108 HydrophobicContact CD2-CD2 4.49Å; L74-L108 HydrophobicContact CG-CD2 4.29Å; L74-L112 HydrophobicContact CD1-CD1 4Å; L74-L112 HydrophobicContact CD2-CD1 3.77Å; L74-L112 HydrophobicContact CG-CD1 4.18Å; L74-V123 HydrophobicContact CD2-CB 3.82Å; L74-V123 HydrophobicContact CD2-CG1 3.68Å; L74-L124 HydrophobicContact CD1-CD1 4.45Å; L74-L124 HydrophobicContact CD2-CB 4.43Å; L74-L127 HydrophobicContact CD1-CD2 4.33Å
75L94.7Very high93.2Very high55 Ų5560.5 Ų60.529%0.28830%0.301SS..Hα-helixtrans-68.2-39.5178.5-174.257.6000111.4I71 A72 F78 M79 L91 M97I71-L75 WeakPolarHBondContact O-CB 3.35Å; I71-L75 PolarHBondContact O-N 3.32Å; A72-L75 PolarHBondContact O-N 2.93Å; L75-F78 PolarHBondContact O-N 2.96Å; L75-M79 HydrophobicContact CD1-CE 3.98Å; L75-M79 HydrophobicContact CG-CE 4.27Å; L75-M79 WeakPolarHBondContact O-CG 3.48Å; L75-M79 PolarHBondContact O-N 3.06Å; L75-L91 HydrophobicContact CD2-CD1 4.31Å; L75-L91 HydrophobicContact CD2-CD2 3.54Å; L75-L91 HydrophobicContact CG-CD2 3.78Å; L75-M97 HydrophobicContact CD2-CE 4.24Å
76V94Very high93.2Very high17 Ų1759.6 Ų59.610%0.10329%0.294CS..Hα-helixtrans-68.6-44.4176.5173.10000111.6A72 S73 F78 M79 N80 L88 M97 L102A72-V76 VanDerWaalsContact O-CG2 3.28Å; A72-V76 WeakPolarHBondContact O-CG2 3.46Å; A72-V76 PolarHBondContact O-N 3.12Å; S73-V76 PolarHBondContact O-N 3.32Å; V76-F78 VanDerWaalsContact C-N 3.35Å; V76-F78 PolarHBondContact O-N 3.27Å; V76-M79 PolarHBondContact O-N 3.49Å; V76-N80 WeakPolarHBondContact CG1-ND2 3.2Å; V76-N80 WeakPolarHBondContact O-CB 3.42Å; V76-N80 PolarHBondContact O-N 3.43Å; V76-N80 PolarHBondContact O-ND2 3.44Å; V76-N80 VanDerWaalsContact O-ND2 3.14Å; V76-L88 HydrophobicContact CB-CD1 4.35Å; V76-L88 HydrophobicContact CG1-CD1 4.2Å; V76-L88 HydrophobicContact CG1-CD2 4.47Å; V76-L88 HydrophobicContact CG2-CD1 3.93Å; V76-M97 HydrophobicContact CG2-SD 4.23Å; V76-L102 HydrophobicContact CB-CD1 4.41Å; V76-L102 HydrophobicContact CG1-CD1 4.22Å; V76-L102 HydrophobicContact CG2-CD1 3.9Å
77D93Very high93.3Very high21 Ų2156.1 Ų56.111%0.11228%0.283CS..Hα-helixtrans-57.1-46.5172.4174.982.8000111.4S73 N80 M81 R105 L108 P122 V123S73-D77 WeakPolarHBondContact O-CB 3.49Å; S73-D77 PolarHBondContact O-N 2.88Å; D77-N80 PolarHBondContact O-N 3.19Å; D77-M81 WeakPolarHBondContact O-CB 3.45Å; D77-M81 PolarHBondContact O-N 3.39Å; D77-R105 WeakPolarHBondContact OD1-CD 3.48Å; D77-R105 IonicContact OD1-NE 2.81Å; D77-L108 HydrophobicContact CB-CD1 4.48Å; D77-P122 VanDerWaalsContact OD2-CA 3.3Å; D77-P122 WeakPolarHBondContact OD2-CA 3.34Å; D77-V123 PolarHBondContact OD2-N 3Å
78F94.4Very high93.4Very high73 Ų7351.2 Ų51.232%0.3226%0.257SS..Hα-helixtrans-59.5-50.2176.4179.1-93.5000112.4L74 L75 V76 N80 M81 M82 P122 L124L74-F78 WeakPolarHBondContact O-CB 3.23Å; L74-F78 PolarHBondContact O-N 3.3Å; L75-F78 PolarHBondContact O-N 2.96Å; V76-F78 VanDerWaalsContact C-N 3.35Å; V76-F78 PolarHBondContact O-N 3.27Å; F78-N80 VanDerWaalsContact C-N 3.34Å; F78-N80 PolarHBondContact O-N 3.41Å; F78-M81 PolarHBondContact O-N 3.41Å; F78-M82 HydrophobicContact CD1-CG 4.36Å; F78-M82 HydrophobicContact CD2-CG 4.37Å; F78-M82 HydrophobicContact CE1-CG 3.96Å; F78-M82 HydrophobicContact CE2-CG 3.97Å; F78-M82 HydrophobicContact CZ-CG 3.75Å; F78-M82 WeakPolarHBondContact O-CB 3.43Å; F78-M82 VanDerWaalsContact O-CG 3.28Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 2.98Å; F78-P122 HydrophobicContact CB-CB 4.28Å; F78-P122 HydrophobicContact CD2-CB 3.89Å; F78-P122 HydrophobicContact CD2-CG 3.72Å; F78-P122 HydrophobicContact CE2-CG 4.21Å; F78-L124 HydrophobicContact CD2-CD2 4.45Å
79M94.5Very high93.3Very high22 Ų2254 Ų5411%0.10827%0.272CS..Hα-helixtrans-65.1-37.1-179.6-71.3-166.8-179.600112.7L75 V76 K83 L84 T87 L88 L91L75-M79 HydrophobicContact CD1-CE 3.98Å; L75-M79 HydrophobicContact CG-CE 4.27Å; L75-M79 WeakPolarHBondContact O-CG 3.48Å; L75-M79 PolarHBondContact O-N 3.06Å; V76-M79 PolarHBondContact O-N 3.49Å; M79-K83 PolarHBondContact O-N 3.01Å; M79-K83 VanDerWaalsContact O-N 3.14Å; M79-L84 HydrophobicContact CB-CB 4.36Å; M79-L84 PolarHBondContact O-N 3.47Å; M79-T87 HydrophobicContact CE-CG2 3.98Å; M79-T87 HydrophobicContact SD-CG2 4.18Å; M79-L88 HydrophobicContact CB-CB 4.11Å; M79-L88 HydrophobicContact CB-CD1 4.26Å; M79-L88 HydrophobicContact SD-CB 4.07Å; M79-L88 HydrophobicContact SD-CD1 4.19Å; M79-L91 HydrophobicContact CE-CD2 3.57Å; M79-L91 HydrophobicContact SD-CB 4.45Å; M79-L91 HydrophobicContact SD-CD2 3.65Å
80N92.7Very high93.1Very high88 Ų8854 Ų5447%0.47127%0.273SS..Hα-helixtrans-64.4-48.1174.5-79.8-38.4000111.9V76 D77 F78 M82 K83 L88V76-N80 WeakPolarHBondContact CG1-ND2 3.2Å; V76-N80 WeakPolarHBondContact O-CB 3.42Å; V76-N80 PolarHBondContact O-N 3.43Å; V76-N80 PolarHBondContact O-ND2 3.44Å; V76-N80 VanDerWaalsContact O-ND2 3.14Å; D77-N80 PolarHBondContact O-N 3.19Å; F78-N80 VanDerWaalsContact C-N 3.34Å; F78-N80 PolarHBondContact O-N 3.41Å; N80-M82 VanDerWaalsContact C-N 3.27Å; N80-M82 PolarHBondContact O-N 3.14Å; N80-K83 PolarHBondContact O-N 2.92Å; N80-L88 WeakPolarHBondContact OD1-CD2 3.34Å
81M91Very high93Very high60 Ų6054.8 Ų54.830%0.29628%0.278SS..Hα-helixtrans-61-37.8178.3-169.965.470.200111.9D77 F78 K83 S119 P122D77-M81 WeakPolarHBondContact O-CB 3.45Å; D77-M81 PolarHBondContact O-N 3.39Å; F78-M81 PolarHBondContact O-N 3.41Å; M81-K83 VanDerWaalsContact C-N 3.25Å; M81-K83 PolarHBondContact O-N 2.78Å; M81-S119 WeakPolarHBondContact CE-O 3.47Å; M81-P122 HydrophobicContact CB-CB 4.09Å; M81-P122 HydrophobicContact CG-CB 4.25Å
82M92.3Very high92.9Very high103 Ų10352.9 Ų52.951%0.50727%0.267SS..THydrogen-bonded Turntrans-80.72.1176.2-62.7-56.4-60.800114F78 N80 L84F78-M82 HydrophobicContact CD1-CG 4.36Å; F78-M82 HydrophobicContact CD2-CG 4.37Å; F78-M82 HydrophobicContact CE1-CG 3.96Å; F78-M82 HydrophobicContact CE2-CG 3.97Å; F78-M82 HydrophobicContact CZ-CG 3.75Å; F78-M82 WeakPolarHBondContact O-CB 3.43Å; F78-M82 VanDerWaalsContact O-CG 3.28Å; F78-M82 WeakPolarHBondContact O-CG 3.32Å; F78-M82 PolarHBondContact O-N 2.98Å; N80-M82 VanDerWaalsContact C-N 3.27Å; N80-M82 PolarHBondContact O-N 3.14Å; M82-L84 HydrophobicContact CB-CD1 3.97Å; M82-L84 HydrophobicContact CB-CG 3.84Å; M82-L84 PolarHBondContact O-N 3.3Å
83K92.1Very high92.5Very high176 Ų17653.4 Ų53.477%0.76527%0.27SS*.THydrogen-bonded Turntrans56.731.8-178.6-55.1-176.9179.9-178.40114.4M79 N80 M81 E85M79-K83 PolarHBondContact O-N 3.01Å; M79-K83 VanDerWaalsContact O-N 3.14Å; N80-K83 PolarHBondContact O-N 2.92Å; M81-K83 VanDerWaalsContact C-N 3.25Å; M81-K83 PolarHBondContact O-N 2.78Å; K83-E85 PolarHBondContact O-N 2.93Å
84L93.6Very high92.1Very high70 Ų7058.3 Ų58.337%0.36629%0.293SS..  trans-85.749.2-178.4-60.1178.1000111.9M79 M82 N86 T87 L88M79-L84 HydrophobicContact CB-CB 4.36Å; M79-L84 PolarHBondContact O-N 3.47Å; M82-L84 HydrophobicContact CB-CD1 3.97Å; M82-L84 HydrophobicContact CB-CG 3.84Å; M82-L84 PolarHBondContact O-N 3.3Å; L84-N86 PolarHBondContact O-N 3.09Å; L84-N86 VanDerWaalsContact O-N 3.14Å; L84-T87 PolarHBondContact O-N 2.94Å; L84-T87 VanDerWaalsContact O-N 3.12Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.47Å
85E93.1Very high91.8Very high101 Ų10157.8 Ų57.847%0.47229%0.291SS..Hα-helixtrans-51.1-42.4-174.7-66.7-176.5-161.400112.8K30 K83 L88 N89K30-E85 IonicContact NZ-OE2 2.63Å; K30-E85 PolarHBondContact NZ-OE2 2.9Å; K83-E85 PolarHBondContact O-N 2.93Å; E85-L88 PolarHBondContact O-N 2.88Å; E85-N89 WeakPolarHBondContact O-CB 3.27Å; E85-N89 PolarHBondContact O-N 3.3Å; E85-N89 PolarHBondContact O-ND2 2.86Å
86N91.7Very high91.4Very high42 Ų4256.4 Ų56.423%0.22528%0.282CS..Hα-helixtrans-68.8-43.7-176.7-63.3-17.1000111.3P29 K30 A33 L84 V90P29-N86 WeakPolarHBondContact CB-ND2 3.28Å; K30-N86 VanDerWaalsContact CA-OD1 3.25Å; K30-N86 WeakPolarHBondContact CA-OD1 3.37Å; K30-N86 WeakPolarHBondContact CB-OD1 3.42Å; K30-N86 WeakPolarHBondContact CG-OD1 3.3Å; K30-N86 PolarHBondContact N-ND2 3.27Å; A33-N86 HydrophobicContact CB-CB 3.82Å; L84-N86 PolarHBondContact O-N 3.09Å; L84-N86 VanDerWaalsContact O-N 3.14Å; N86-V90 WeakPolarHBondContact O-CG2 3.41Å; N86-V90 PolarHBondContact O-N 3.35Å
87T93.5Very high91.1Very high73 Ų7355.7 Ų55.745%0.44828%0.278SS..Hα-helixtrans-65.6-41.2175.4-470000111.2M79 L84 V90 L91M79-T87 HydrophobicContact CE-CG2 3.98Å; M79-T87 HydrophobicContact SD-CG2 4.18Å; L84-T87 PolarHBondContact O-N 2.94Å; L84-T87 VanDerWaalsContact O-N 3.12Å; T87-V90 PolarHBondContact O-N 3.48Å; T87-L91 WeakPolarHBondContact O-CB 3.26Å; T87-L91 PolarHBondContact O-N 3.49Å
88L94.3Very high90.7Very high13 Ų1359.3 Ų59.37%0.06829%0.293CS..Hα-helixtrans-63.1-45.4178178.158.6000111.7V76 M79 N80 L84 E85 V90 L91 M92V76-L88 HydrophobicContact CB-CD1 4.35Å; V76-L88 HydrophobicContact CG1-CD1 4.2Å; V76-L88 HydrophobicContact CG1-CD2 4.47Å; V76-L88 HydrophobicContact CG2-CD1 3.93Å; M79-L88 HydrophobicContact CB-CB 4.11Å; M79-L88 HydrophobicContact CB-CD1 4.26Å; M79-L88 HydrophobicContact SD-CB 4.07Å; M79-L88 HydrophobicContact SD-CD1 4.19Å; N80-L88 WeakPolarHBondContact OD1-CD2 3.34Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.47Å; E85-L88 PolarHBondContact O-N 2.88Å; L88-V90 PolarHBondContact O-N 2.63Å; L88-L91 PolarHBondContact O-N 3.31Å; L88-M92 HydrophobicContact CD1-CG 3.95Å; L88-M92 HydrophobicContact CD1-SD 4.19Å; L88-M92 HydrophobicContact CG-CG 4.39Å; L88-M92 HydrophobicContact CG-SD 4.24Å; L88-M92 WeakPolarHBondContact O-CB 3.49Å; L88-M92 VanDerWaalsContact O-CG 3.3Å; L88-M92 WeakPolarHBondContact O-CG 3.29Å; L88-M92 PolarHBondContact O-N 2.85Å
89N91Very high90.2Very high58 Ų5864.5 Ų64.531%0.3132%0.318SS..Hα-helixtrans-60-44.8177.3-78.5-60.9000111.9E85 M92 D93E85-N89 WeakPolarHBondContact O-CB 3.27Å; E85-N89 PolarHBondContact O-N 3.3Å; E85-N89 PolarHBondContact O-ND2 2.86Å; N89-M92 PolarHBondContact O-N 3.45Å; N89-D93 PolarHBondContact O-N 2.88Å
90V90.7Very high89.8Confident45 Ų4565.5 Ų65.527%0.27332%0.323SS..Hα-helixtrans-64.1-45.8176.31750000111A33 N86 T87 L88 M92 D93 E94A33-V90 HydrophobicContact CB-CG2 4.01Å; N86-V90 WeakPolarHBondContact O-CG2 3.41Å; N86-V90 PolarHBondContact O-N 3.35Å; T87-V90 PolarHBondContact O-N 3.48Å; L88-V90 PolarHBondContact O-N 2.63Å; V90-M92 VanDerWaalsContact C-N 3.34Å; V90-M92 PolarHBondContact O-N 2.66Å; V90-D93 PolarHBondContact O-N 2.91Å; V90-E94 WeakPolarHBondContact O-CB 3.26Å; V90-E94 PolarHBondContact O-N 2.81Å
91L91.3Very high89.7Confident34 Ų3469.9 Ų69.918%0.17834%0.341CS..Hα-helixtrans-57.5-45.5176.2174.369.7000111.6L75 M79 T87 L88 D93 E94 A95 M97L75-L91 HydrophobicContact CD2-CD1 4.31Å; L75-L91 HydrophobicContact CD2-CD2 3.54Å; L75-L91 HydrophobicContact CG-CD2 3.78Å; M79-L91 HydrophobicContact CE-CD2 3.57Å; M79-L91 HydrophobicContact SD-CB 4.45Å; M79-L91 HydrophobicContact SD-CD2 3.65Å; T87-L91 WeakPolarHBondContact O-CB 3.26Å; T87-L91 PolarHBondContact O-N 3.49Å; L88-L91 PolarHBondContact O-N 3.31Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.42Å; L91-E94 PolarHBondContact O-N 3.31Å; L91-A95 HydrophobicContact CD1-CB 3.97Å; L91-A95 WeakPolarHBondContact O-CB 3.25Å; L91-A95 PolarHBondContact O-N 2.79Å; L91-M97 HydrophobicContact CD1-CE 4.06Å; L91-M97 HydrophobicContact CD2-CE 4.03Å; L91-M97 HydrophobicContact CD2-SD 4.28Å; L91-M97 HydrophobicContact CG-CE 3.98Å; L91-M97 HydrophobicContact CG-SD 4.22Å
92M90.5Very high89.6Confident42 Ų4269.2 Ų69.221%0.20734%0.338CS..Hα-helixtrans-63.6-31.2-177.6-74.3-173.179.300112.9L88 N89 V90 Q96 M97 K98 L102L88-M92 HydrophobicContact CD1-CG 3.95Å; L88-M92 HydrophobicContact CD1-SD 4.19Å; L88-M92 HydrophobicContact CG-CG 4.39Å; L88-M92 HydrophobicContact CG-SD 4.24Å; L88-M92 WeakPolarHBondContact O-CB 3.49Å; L88-M92 VanDerWaalsContact O-CG 3.3Å; L88-M92 WeakPolarHBondContact O-CG 3.29Å; L88-M92 PolarHBondContact O-N 2.85Å; N89-M92 PolarHBondContact O-N 3.45Å; V90-M92 VanDerWaalsContact C-N 3.34Å; V90-M92 PolarHBondContact O-N 2.66Å; M92-Q96 CarbonylContact O-C 3.52Å; M92-Q96 WeakPolarHBondContact O-CA 3.44Å; M92-Q96 PolarHBondContact O-N 3.12Å; M92-M97 HydrophobicContact CB-CB 4.49Å; M92-M97 HydrophobicContact CG-CB 4.34Å; M92-M97 PolarHBondContact O-N 3.45Å; M92-K98 HydrophobicContact CB-CG 4.13Å; M92-K98 HydrophobicContact CE-CG 4.42Å; M92-L102 HydrophobicContact CE-CD1 4.49Å
93D86.1Confident89.5Confident11 Ų1166.1 Ų66.16%0.05932%0.324CS..Hα-helixtrans-77.6-53.5171.1-82.2-60.5000112.2A37 Y40 N89 V90 L91 A95 Q96 K98A37-D93 HydrophobicContact CB-CB 4.44Å; A37-D93 VanDerWaalsContact CB-OD2 3.24Å; A37-D93 WeakPolarHBondContact CB-OD2 3.4Å; Y40-D93 HydrophobicContact CD1-CB 4.26Å; Y40-D93 WeakPolarHBondContact CE1-O 3.16Å; N89-D93 PolarHBondContact O-N 2.88Å; V90-D93 PolarHBondContact O-N 2.91Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.42Å; D93-A95 PolarHBondContact O-N 2.77Å; D93-Q96 PolarHBondContact O-N 3.14Å; D93-K98 VanDerWaalsContact CG-CE 3.42Å; D93-K98 WeakPolarHBondContact OD1-CE 3.39Å; D93-K98 IonicContact OD1-NZ 3.82Å; D93-K98 PolarHBondContact OD1-NZ 2.94Å; D93-K98 WeakPolarHBondContact OD2-CE 3.5Å; D93-K98 IonicContact OD2-NZ 2.66Å; D93-K98 PolarHBondContact OD2-NZ 3.39Å
94E86Confident89.2Confident107 Ų10762.2 Ų62.250%0.531%0.311SS..Hα-helixtrans-60.9-43.3-175.4-172.7175.2177.700112.1Y40 N56 V90 L91 Q96Y40-E94 PolarHBondContact OH-O 3.35Å; N56-E94 PolarHBondContact ND2-O 3.32Å; V90-E94 WeakPolarHBondContact O-CB 3.26Å; V90-E94 PolarHBondContact O-N 2.81Å; L91-E94 PolarHBondContact O-N 3.31Å; E94-Q96 VanDerWaalsContact C-N 3.35Å
95A87.6Confident88.9Confident3 Ų362.2 Ų62.23%0.02531%0.306CS..THydrogen-bonded Turntrans-89.15.3176.700000114I59 W63 L91 D93 M97I59-A95 HydrophobicContact CD1-CB 3.76Å; W63-A95 HydrophobicContact CZ2-CB 4.32Å; W63-A95 PolarHBondContact NE1-O 2.88Å; L91-A95 HydrophobicContact CD1-CB 3.97Å; L91-A95 WeakPolarHBondContact O-CB 3.25Å; L91-A95 PolarHBondContact O-N 2.79Å; D93-A95 PolarHBondContact O-N 2.77Å; A95-M97 HydrophobicContact CB-CE 3.73Å; A95-M97 HydrophobicContact CB-CG 3.99Å; A95-M97 HydrophobicContact CB-SD 4.45Å; A95-M97 PolarHBondContact O-N 3.32Å
96Q85.5Confident88.5Confident25 Ų2563.7 Ų63.712%0.11732%0.317CS..THydrogen-bonded Turntrans55.334.3176-68.1148.1-11.300114.2E44 R60 M92 D93 E94 K98E44-Q96 PolarHBondContact OE1-NE2 2.87Å; R60-Q96 VanDerWaalsContact NE-OE1 3.09Å; R60-Q96 VanDerWaalsContact NH2-CD 3.26Å; M92-Q96 CarbonylContact O-C 3.52Å; M92-Q96 WeakPolarHBondContact O-CA 3.44Å; M92-Q96 PolarHBondContact O-N 3.12Å; D93-Q96 PolarHBondContact O-N 3.14Å; E94-Q96 VanDerWaalsContact C-N 3.35Å; Q96-K98 VanDerWaalsContact C-N 3.33Å; Q96-K98 PolarHBondContact O-N 3.23Å
97M87.9Confident88.3Confident2 Ų267 Ų671%0.0133%0.33CS..G310 helixtrans-78.6-12-177.3-59.2178.9-179.600114.1W63 A72 L75 V76 L91 M92 A95 H99 L100W63-M97 HydrophobicContact CH2-CE 3.73Å; W63-M97 HydrophobicContact CZ2-CE 3.33Å; W63-M97 HydrophobicContact CZ2-CG 4.37Å; A72-M97 HydrophobicContact CB-CE 4.47Å; L75-M97 HydrophobicContact CD2-CE 4.24Å; V76-M97 HydrophobicContact CG2-SD 4.23Å; L91-M97 HydrophobicContact CD1-CE 4.06Å; L91-M97 HydrophobicContact CD2-CE 4.03Å; L91-M97 HydrophobicContact CD2-SD 4.28Å; L91-M97 HydrophobicContact CG-CE 3.98Å; L91-M97 HydrophobicContact CG-SD 4.22Å; M92-M97 HydrophobicContact CB-CB 4.49Å; M92-M97 HydrophobicContact CG-CB 4.34Å; M92-M97 PolarHBondContact O-N 3.45Å; A95-M97 HydrophobicContact CB-CE 3.73Å; A95-M97 HydrophobicContact CB-CG 3.99Å; A95-M97 HydrophobicContact CB-SD 4.45Å; A95-M97 PolarHBondContact O-N 3.32Å; M97-H99 PolarHBondContact O-N 3.14Å; M97-L100 HydrophobicContact CB-CD1 3.97Å; M97-L100 HydrophobicContact CG-CD1 4.01Å; M97-L100 WeakPolarHBondContact O-CB 3.32Å; M97-L100 PolarHBondContact O-N 3.14Å
98K84.2Confident88.1Confident98 Ų9863.6 Ų63.643%0.42631%0.309SS..G310 helixtrans-57.1-18.2-174.5-75.8-174.6172.2172.20116.1M92 D93 Q96M92-K98 HydrophobicContact CB-CG 4.13Å; M92-K98 HydrophobicContact CE-CG 4.42Å; D93-K98 VanDerWaalsContact CG-CE 3.42Å; D93-K98 WeakPolarHBondContact OD1-CE 3.39Å; D93-K98 IonicContact OD1-NZ 3.82Å; D93-K98 PolarHBondContact OD1-NZ 2.94Å; D93-K98 WeakPolarHBondContact OD2-CE 3.5Å; D93-K98 IonicContact OD2-NZ 2.66Å; D93-K98 PolarHBondContact OD2-NZ 3.39Å; Q96-K98 VanDerWaalsContact C-N 3.33Å; Q96-K98 PolarHBondContact O-N 3.23Å
99H83.6Confident87.6Confident182 Ų18265 Ų6584%0.84332%0.315SS*.G310 helixtrans-114.49.7-179.9-57.4-53.4000113.2M97M97-H99 PolarHBondContact O-N 3.14Å
100L88Confident87.3Confident43 Ų4366.3 Ų66.323%0.22534%0.335CS..SBendtrans-85.8139.1176.7-58.4178.1000110.7W63 L69 A72 M97 L102W63-L100 HydrophobicContact CB-CD1 3.87Å; W63-L100 HydrophobicContact CB-CD2 3.79Å; W63-L100 HydrophobicContact CD2-CD1 3.98Å; W63-L100 HydrophobicContact CG-CD1 3.57Å; W63-L100 HydrophobicContact CG-CD2 4.31Å; L69-L100 HydrophobicContact CD2-CB 4.27Å; L69-L100 HydrophobicContact CD2-CD1 4.48Å; L69-L100 HydrophobicContact CD2-CD2 4.3Å; A72-L100 HydrophobicContact CB-CD1 4.47Å; M97-L100 HydrophobicContact CB-CD1 3.97Å; M97-L100 HydrophobicContact CG-CD1 4.01Å; M97-L100 WeakPolarHBondContact O-CB 3.32Å; M97-L100 PolarHBondContact O-N 3.14Å; L100-L102 HydrophobicContact CB-CD2 4.22Å; L100-L102 HydrophobicContact CB-CG 4.37Å; L100-L102 PolarHBondContact O-N 2.89Å
101E89.1Confident87.1Confident180 Ų18068 Ų6884%0.84134%0.341SS*.  trans-7779.1168.4-65.6-173.9-178.200109.3
102L89.3Confident86.8Confident46 Ų4667.6 Ų67.624%0.24134%0.339CS..PPolyproline II helixtrans-63.7142.6177.8-62.5171.6000110.8A72 V76 M92 L100A72-L102 HydrophobicContact CB-CD2 3.74Å; V76-L102 HydrophobicContact CB-CD1 4.41Å; V76-L102 HydrophobicContact CG1-CD1 4.22Å; V76-L102 HydrophobicContact CG2-CD1 3.9Å; M92-L102 HydrophobicContact CE-CD1 4.49Å; L100-L102 HydrophobicContact CB-CD2 4.22Å; L100-L102 HydrophobicContact CB-CG 4.37Å; L100-L102 PolarHBondContact O-N 2.89Å
103L89.6Confident86.1Confident38 Ų3870.3 Ų70.320%0.19936%0.36CS..PPolyproline II helixtrans-81.1127.4-179.6-70.382.6000110.3L69 S73 K107 L108 I111L69-L103 HydrophobicContact CB-CD1 3.9Å; S73-L103 PolarHBondContact OG-N 3.34Å; L103-K107 HydrophobicContact CB-CB 4.25Å; L103-K107 HydrophobicContact CD2-CB 4.36Å; L103-L108 HydrophobicContact CB-CD2 4.2Å; L103-L108 HydrophobicContact CB-CG 4.05Å; L103-I111 HydrophobicContact CD2-CD1 3.34Å
104D87Confident85.6Confident93 Ų9370.9 Ų70.950%0.49736%0.364SS..PPolyproline II helixtrans-57.9153.8170.2-53.5-71.1000111.5D106 K107 L108D104-D106 PolarHBondContact O-N 3.36Å; D104-D106 VanDerWaalsContact O-N 3.16Å; D104-K107 HydrophobicContact CB-CD 4.26Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 WeakPolarHBondContact O-CA 3.36Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 2.72Å; D104-K107 VanDerWaalsContact OD2-CE 3.25Å; D104-K107 WeakPolarHBondContact OD2-CE 3.5Å; D104-K107 IonicContact OD2-NZ 2.69Å; D104-K107 PolarHBondContact OD2-NZ 3.37Å; D104-L108 PolarHBondContact O-N 2.88Å
105R85.9Confident84.7Confident70 Ų7071.2 Ų71.226%0.26437%0.365SS..Hα-helixtrans-52.4-40.6-179.2-168.8177.6-179.8-153.90.7113.3D77 K107 L108 M109 S118 S119 S121 V123D77-R105 WeakPolarHBondContact OD1-CD 3.48Å; D77-R105 IonicContact OD1-NE 2.81Å; R105-K107 VanDerWaalsContact C-N 3.35Å; R105-K107 PolarHBondContact O-N 2.75Å; R105-L108 WeakPolarHBondContact O-CB 3.48Å; R105-L108 PolarHBondContact O-N 2.94Å; R105-M109 WeakPolarHBondContact O-CB 3.37Å; R105-M109 WeakPolarHBondContact O-CG 3.31Å; R105-M109 PolarHBondContact O-N 2.78Å; R105-S118 PolarHBondContact NH2-O 3.45Å; R105-S119 PolarHBondContact NH1-O 3Å; R105-S119 PolarHBondContact NH2-O 3.37Å; R105-S121 PolarHBondContact NH2-O 3.3Å; R105-V123 HydrophobicContact CG-CG2 3.66Å
106D85Confident83.6Confident133 Ų13376 Ų7671%0.71138%0.382SS*.Hα-helixtrans-67.6-34.3179-60.6-35.8000112.4D104 A110D104-D106 PolarHBondContact O-N 3.36Å; D104-D106 VanDerWaalsContact O-N 3.16Å; D106-A110 WeakPolarHBondContact O-CB 3.29Å; D106-A110 PolarHBondContact O-N 3.4Å
107K87.9Confident82.6Confident112 Ų11281.7 Ų81.749%0.48741%0.414SS..Hα-helixtrans-69.3-42.5174-64.3170.5-179.8157.60110.8L103 D104 R105 M109 A110 I111L103-K107 HydrophobicContact CB-CB 4.25Å; L103-K107 HydrophobicContact CD2-CB 4.36Å; D104-K107 HydrophobicContact CB-CD 4.26Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 WeakPolarHBondContact O-CA 3.36Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 2.72Å; D104-K107 VanDerWaalsContact OD2-CE 3.25Å; D104-K107 WeakPolarHBondContact OD2-CE 3.5Å; D104-K107 IonicContact OD2-NZ 2.69Å; D104-K107 PolarHBondContact OD2-NZ 3.37Å; R105-K107 VanDerWaalsContact C-N 3.35Å; R105-K107 PolarHBondContact O-N 2.75Å; K107-M109 VanDerWaalsContact C-N 3.35Å; K107-M109 PolarHBondContact O-N 2.95Å; K107-A110 PolarHBondContact O-N 3.16Å; K107-I111 WeakPolarHBondContact O-CG1 3.27Å; K107-I111 PolarHBondContact O-N 2.92Å
108L88.7Confident81.6Confident1 Ų183.6 Ų83.61%0.00543%0.427CS..Hα-helixtrans-59-45.1174.1-75.9173.2000112I70 L74 D77 L103 D104 R105 A110 I111 L112 V123I70-L108 HydrophobicContact CG2-CD2 4.06Å; L74-L108 HydrophobicContact CD2-CD1 4.39Å; L74-L108 HydrophobicContact CD2-CD2 4.49Å; L74-L108 HydrophobicContact CG-CD2 4.29Å; D77-L108 HydrophobicContact CB-CD1 4.48Å; L103-L108 HydrophobicContact CB-CD2 4.2Å; L103-L108 HydrophobicContact CB-CG 4.05Å; D104-L108 PolarHBondContact O-N 2.88Å; R105-L108 WeakPolarHBondContact O-CB 3.48Å; R105-L108 PolarHBondContact O-N 2.94Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 3.47Å; L108-I111 PolarHBondContact O-N 3.3Å; L108-L112 HydrophobicContact CD2-CD1 4.38Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.41Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 2.83Å; L108-V123 HydrophobicContact CB-CG1 4.3Å
109M84.9Confident81.1Confident42 Ų4282.6 Ų82.621%0.20743%0.433CS..Hα-helixtrans-68-23.6177.3-67.2-71.8-59.800113.3R105 K107 T114 N117 V123R105-M109 WeakPolarHBondContact O-CB 3.37Å; R105-M109 WeakPolarHBondContact O-CG 3.31Å; R105-M109 PolarHBondContact O-N 2.78Å; K107-M109 VanDerWaalsContact C-N 3.35Å; K107-M109 PolarHBondContact O-N 2.95Å; M109-T114 WeakPolarHBondContact CE-OG1 3.44Å; M109-T114 HydrophobicContact SD-CG2 4.31Å; M109-T114 PolarHBondContact SD-OG1 3.12Å; M109-T114 VanDerWaalsContact SD-OG1 3.38Å; M109-N117 HydrophobicContact CE-CB 4.19Å; M109-V123 HydrophobicContact CG-CG2 4.13Å; M109-V123 HydrophobicContact SD-CB 4.4Å; M109-V123 HydrophobicContact SD-CG1 3.89Å; M109-V123 HydrophobicContact SD-CG2 3.87Å
110A85.4Confident80.9Confident86 Ų8680.6 Ų80.671%0.71143%0.429SS*.Hα-helixtrans-80.8-31.9174.700000113.1D106 K107 L108D106-A110 WeakPolarHBondContact O-CB 3.29Å; D106-A110 PolarHBondContact O-N 3.4Å; K107-A110 PolarHBondContact O-N 3.16Å; L108-A110 VanDerWaalsContact C-N 3.27Å; L108-A110 PolarHBondContact O-N 3.47Å
111I85.7Confident80.8Confident80 Ų8079.2 Ų79.241%0.4142%0.422SS..Hα-helixtrans-84-39.4179.2-65.5164000111.2I70 L103 K107 L108I70-I111 HydrophobicContact CD1-CG2 3.85Å; L103-I111 HydrophobicContact CD2-CD1 3.34Å; K107-I111 WeakPolarHBondContact O-CG1 3.27Å; K107-I111 PolarHBondContact O-N 2.92Å; L108-I111 PolarHBondContact O-N 3.3Å
112L85.4Confident80.8Confident26 Ų2671.1 Ų71.114%0.13639%0.385CS..SBendtrans-95.3128-175.1-63.7169.3000111.4I70 L74 L108 T114 V123 L127I70-L112 HydrophobicContact CG2-CD1 4.16Å; I70-L112 HydrophobicContact CG2-CD2 4.24Å; I70-L112 HydrophobicContact CG2-CG 4.45Å; L74-L112 HydrophobicContact CD1-CD1 4Å; L74-L112 HydrophobicContact CD2-CD1 3.77Å; L74-L112 HydrophobicContact CG-CD1 4.18Å; L108-L112 HydrophobicContact CD2-CD1 4.38Å; L108-L112 VanDerWaalsContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CB 3.41Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 2.83Å; L112-T114 HydrophobicContact CB-CG2 4.25Å; L112-T114 PolarHBondContact O-N 2.83Å; L112-T114 PolarHBondContact O-OG1 2.95Å; L112-V123 HydrophobicContact CD1-CG1 4.14Å; L112-L127 HydrophobicContact CD1-CD2 4.4Å; L112-L127 HydrophobicContact CD2-CD1 4.42Å; L112-L127 HydrophobicContact CD2-CD2 4.44Å
113P75.7Confident80.9Confident98 Ų9868.9 Ų68.964%0.63637%0.374SS*.  trans-66.7101.9175.228.3-33.6000109.4T130P113-T130 WeakPolarHBondContact O-CG2 3.42Å
114T74.8Confident81Confident24 Ų2469.9 Ų69.915%0.14738%0.379CS..  trans-128.4112.6-177.144.40000109.3M109 L112 R116 V123 N126 L127M109-T114 WeakPolarHBondContact CE-OG1 3.44Å; M109-T114 HydrophobicContact SD-CG2 4.31Å; M109-T114 PolarHBondContact SD-OG1 3.12Å; M109-T114 VanDerWaalsContact SD-OG1 3.38Å; L112-T114 HydrophobicContact CB-CG2 4.25Å; L112-T114 PolarHBondContact O-N 2.83Å; L112-T114 PolarHBondContact O-OG1 2.95Å; T114-R116 VanDerWaalsContact C-N 3.26Å; T114-R116 PolarHBondContact O-N 3.22Å; T114-V123 HydrophobicContact CG2-CG1 4.42Å; T114-N126 HydrophobicContact CG2-CB 4.09Å; T114-L127 HydrophobicContact CG2-CB 4.42Å
115E67.9Low81.1Confident114 Ų11469.2 Ų69.253%0.53338%0.375SS..SBendtrans-72.6-19.2-174.2-67.3171159.500113.3T130 H133E115-T130 HydrophobicContact CG-CG2 3.94Å; E115-T130 WeakPolarHBondContact CG-OG1 3.41Å; E115-T130 PolarHBondContact N-OG1 3.08Å; E115-T130 VanDerWaalsContact N-OG1 3.09Å; E115-H133 IonicContact OE2-CD2 3.44Å; E115-H133 PolarHBondContact OE2-CD2 3.18Å; E115-H133 IonicContact OE2-CG 3.85Å
116R64Low81.2Confident102 Ų10265.9 Ų65.939%0.38536%0.362SS..  trans-119.7116.7-177.7-78.1-172.4-99.1145.3-7.8111.6T114 S118 N126 E129T114-R116 VanDerWaalsContact C-N 3.26Å; T114-R116 PolarHBondContact O-N 3.22Å; R116-S118 PolarHBondContact O-N 2.75Å; R116-N126 PolarHBondContact O-ND2 2.9Å; R116-E129 IonicContact CZ-OE1 2.77Å; R116-E129 IonicContact CZ-OE2 3.31Å; R116-E129 IonicContact NE-OE2 2.79Å; R116-E129 IonicContact NH1-OE1 3.19Å; R116-E129 PolarHBondContact NH1-OE1 3.09Å; R116-E129 IonicContact NH1-OE2 3.16Å; R116-E129 PolarHBondContact NH1-OE2 3.33Å; R116-E129 IonicContact NH2-OE1 2.75Å; R116-E129 PolarHBondContact NH2-OE1 3.31Å; R116-E129 IonicContact NH2-OE2 4Å; R116-E129 PolarHBondContact NH2-OE2 3.3Å
117N65Low81.4Confident145 Ų14561 Ų6178%0.77534%0.336SS*.  trans-87.839.5169.860.1-10.7000112.2M109 S119M109-N117 HydrophobicContact CE-CB 4.19Å; N117-S119 PolarHBondContact O-N 3.36Å; N117-S119 VanDerWaalsContact O-N 3.12Å
118S66.4Low81.5Confident42 Ų4259.1 Ų59.129%0.29433%0.331SS..  trans-67.6110.5-179.646.60000110.6R105 R116 N120 S121R105-S118 PolarHBondContact NH2-O 3.45Å; R116-S118 PolarHBondContact O-N 2.75Å; S118-N120 PolarHBondContact O-N 2.98Å; S118-S121 PolarHBondContact O-N 3.38Å; S118-S121 VanDerWaalsContact O-N 3.16Å; S118-S121 VanDerWaalsContact OG-CB 3.29Å; S118-S121 WeakPolarHBondContact OG-CB 3.46Å
119S73.7Confident81.4Confident78 Ų7861.1 Ų61.155%0.54534%0.34SS..THydrogen-bonded Turntrans-53.8-26-17755.70000114.1M81 R105 N117M81-S119 WeakPolarHBondContact CE-O 3.47Å; R105-S119 PolarHBondContact NH1-O 3Å; R105-S119 PolarHBondContact NH2-O 3.37Å; N117-S119 PolarHBondContact O-N 3.36Å; N117-S119 VanDerWaalsContact O-N 3.12Å
120N80.5Confident81.5Confident140 Ų14060 Ų6075%0.74934%0.335SS*.THydrogen-bonded Turntrans-102.213.4-171.7-55.94.3000113.8S118S118-N120 PolarHBondContact O-N 2.98Å
121S85.1Confident81.6Confident13 Ų1360.6 Ų60.69%0.09133%0.326CS..SBendtrans-124.3136.3179.9-178.20000110.4R105 S118 N126R105-S121 PolarHBondContact NH2-O 3.3Å; S118-S121 PolarHBondContact O-N 3.38Å; S118-S121 VanDerWaalsContact O-N 3.16Å; S118-S121 VanDerWaalsContact OG-CB 3.29Å; S118-S121 WeakPolarHBondContact OG-CB 3.46Å; S121-N126 VanDerWaalsContact CB-OD1 3.26Å; S121-N126 WeakPolarHBondContact CB-OD1 3.4Å; S121-N126 PolarHBondContact OG-OD1 3.05Å
122P89.9Confident81.8Confident10 Ų1062.8 Ų62.87%0.06533%0.333CS..  trans-66.3144.9175.529.7-33.3000110.2D77 F78 M81 L124 L125 N126D77-P122 VanDerWaalsContact OD2-CA 3.3Å; D77-P122 WeakPolarHBondContact OD2-CA 3.34Å; F78-P122 HydrophobicContact CB-CB 4.28Å; F78-P122 HydrophobicContact CD2-CB 3.89Å; F78-P122 HydrophobicContact CD2-CG 3.72Å; F78-P122 HydrophobicContact CE2-CG 4.21Å; M81-P122 HydrophobicContact CB-CB 4.09Å; M81-P122 HydrophobicContact CG-CB 4.25Å; P122-L124 PolarHBondContact O-N 3.35Å; P122-L124 VanDerWaalsContact O-N 3.14Å; P122-L125 HydrophobicContact CG-CB 3.98Å; P122-L125 WeakPolarHBondContact O-CB 3.34Å; P122-L125 PolarHBondContact O-N 2.9Å; P122-N126 PolarHBondContact O-N 3.16Å
123V89.9Confident81.8Confident0 Ų065 Ų650%034%0.342CS..Hα-helixtrans-57.3-35.1-176.1-179.10000111.2L74 D77 R105 L108 M109 L112 T114 L125 N126 L127L74-V123 HydrophobicContact CD2-CB 3.82Å; L74-V123 HydrophobicContact CD2-CG1 3.68Å; D77-V123 PolarHBondContact OD2-N 3Å; R105-V123 HydrophobicContact CG-CG2 3.66Å; L108-V123 HydrophobicContact CB-CG1 4.3Å; M109-V123 HydrophobicContact CG-CG2 4.13Å; M109-V123 HydrophobicContact SD-CB 4.4Å; M109-V123 HydrophobicContact SD-CG1 3.89Å; M109-V123 HydrophobicContact SD-CG2 3.87Å; L112-V123 HydrophobicContact CD1-CG1 4.14Å; T114-V123 HydrophobicContact CG2-CG1 4.42Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.23Å; V123-N126 PolarHBondContact O-N 3.06Å; V123-L127 PolarHBondContact O-N 3.41Å
124L91.6Very high82.2Confident58 Ų5865.4 Ų65.430%0.30434%0.338SS..Hα-helixtrans-58-36.6175.8-175.662.9000113.1L74 F78 P122 I128L74-L124 HydrophobicContact CD1-CD1 4.45Å; L74-L124 HydrophobicContact CD2-CB 4.43Å; F78-L124 HydrophobicContact CD2-CD2 4.45Å; P122-L124 PolarHBondContact O-N 3.35Å; P122-L124 VanDerWaalsContact O-N 3.14Å; L124-I128 HydrophobicContact CG-CD1 4.38Å; L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.36Å; L124-I128 PolarHBondContact O-N 2.96Å
125L89.3Confident82.8Confident79 Ų7972.3 Ų72.341%0.41436%0.362SS..Hα-helixtrans-71.2-44.7176.6179.957.2000110.6P122 V123 L127 I128 E129P122-L125 HydrophobicContact CG-CB 3.98Å; P122-L125 WeakPolarHBondContact O-CB 3.34Å; P122-L125 PolarHBondContact O-N 2.9Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.23Å; L125-L127 VanDerWaalsContact C-N 3.27Å; L125-L127 PolarHBondContact O-N 3.09Å; L125-I128 PolarHBondContact O-N 3.29Å; L125-I128 VanDerWaalsContact O-N 3.12Å; L125-E129 HydrophobicContact CD1-CG 4.43Å; L125-E129 WeakPolarHBondContact O-CG 3.49Å; L125-E129 PolarHBondContact O-N 2.64Å
126N87.7Confident83.5Confident1 Ų170.5 Ų70.51%0.00536%0.356CS..Hα-helixtrans-59.8-39.9178.4-57.2-8.2000111T114 R116 S121 P122 V123 E129 T130T114-N126 HydrophobicContact CG2-CB 4.09Å; R116-N126 PolarHBondContact O-ND2 2.9Å; S121-N126 VanDerWaalsContact CB-OD1 3.26Å; S121-N126 WeakPolarHBondContact CB-OD1 3.4Å; S121-N126 PolarHBondContact OG-OD1 3.05Å; P122-N126 PolarHBondContact O-N 3.16Å; V123-N126 PolarHBondContact O-N 3.06Å; N126-E129 PolarHBondContact O-N 2.91Å; N126-T130 PolarHBondContact O-N 2.84Å; N126-T130 PolarHBondContact O-OG1 3.39Å
127L90Very high84.2Confident29 Ų2971.3 Ų71.315%0.15236%0.364CS..Hα-helixtrans-61.8-46174.1179.864.1000112L74 L112 T114 V123 L125 E129 T130 L131L74-L127 HydrophobicContact CD1-CD2 4.33Å; L112-L127 HydrophobicContact CD1-CD2 4.4Å; L112-L127 HydrophobicContact CD2-CD1 4.42Å; L112-L127 HydrophobicContact CD2-CD2 4.44Å; T114-L127 HydrophobicContact CG2-CB 4.42Å; V123-L127 PolarHBondContact O-N 3.41Å; L125-L127 VanDerWaalsContact C-N 3.27Å; L125-L127 PolarHBondContact O-N 3.09Å; L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 PolarHBondContact O-N 3.21Å; L127-T130 PolarHBondContact O-N 3.22Å; L127-L131 HydrophobicContact CD1-CD1 4.3Å; L127-L131 HydrophobicContact CD1-CG 4.36Å; L127-L131 HydrophobicContact CG-CD1 4.1Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.87Å
128I89.6Confident84.6Confident74 Ų7472.7 Ų72.738%0.37936%0.363SS..Hα-helixtrans-62.3-37.2176.9-69.3164.7000111.1L124 L125 K132L124-I128 HydrophobicContact CG-CD1 4.38Å; L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.36Å; L124-I128 PolarHBondContact O-N 2.96Å; L125-I128 PolarHBondContact O-N 3.29Å; L125-I128 VanDerWaalsContact O-N 3.12Å; I128-K132 HydrophobicContact CG2-CD 4.35Å; I128-K132 WeakPolarHBondContact O-CB 3.33Å; I128-K132 WeakPolarHBondContact O-CG 3.3Å; I128-K132 PolarHBondContact O-N 2.86Å
129E87.6Confident84.5Confident42 Ų4275 Ų7520%0.19637%0.371CS..Hα-helixtrans-67-49.2176.3-68.7-177.2117.100112R116 L125 N126 L127 L131 K132 H133R116-E129 IonicContact CZ-OE1 2.77Å; R116-E129 IonicContact CZ-OE2 3.31Å; R116-E129 IonicContact NE-OE2 2.79Å; R116-E129 IonicContact NH1-OE1 3.19Å; R116-E129 PolarHBondContact NH1-OE1 3.09Å; R116-E129 IonicContact NH1-OE2 3.16Å; R116-E129 PolarHBondContact NH1-OE2 3.33Å; R116-E129 IonicContact NH2-OE1 2.75Å; R116-E129 PolarHBondContact NH2-OE1 3.31Å; R116-E129 IonicContact NH2-OE2 4Å; R116-E129 PolarHBondContact NH2-OE2 3.3Å; L125-E129 HydrophobicContact CD1-CG 4.43Å; L125-E129 WeakPolarHBondContact O-CG 3.49Å; L125-E129 PolarHBondContact O-N 2.64Å; N126-E129 PolarHBondContact O-N 2.91Å; L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 PolarHBondContact O-N 3.21Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.91Å; E129-K132 WeakPolarHBondContact O-CB 3.34Å; E129-K132 PolarHBondContact O-N 3.27Å; E129-K132 VanDerWaalsContact O-N 3.08Å; E129-H133 PolarHBondContact O-CD2 3Å; E129-H133 PolarHBondContact O-N 3.5Å
130T86.4Confident83.8Confident18 Ų1877 Ų7711%0.1138%0.375CS..Hα-helixtrans-62.4-38.5176.3-64.20000111.9P113 E115 N126 L127 K132 H133 L134P113-T130 WeakPolarHBondContact O-CG2 3.42Å; E115-T130 HydrophobicContact CG-CG2 3.94Å; E115-T130 WeakPolarHBondContact CG-OG1 3.41Å; E115-T130 PolarHBondContact N-OG1 3.08Å; E115-T130 VanDerWaalsContact N-OG1 3.09Å; N126-T130 PolarHBondContact O-N 2.84Å; N126-T130 PolarHBondContact O-OG1 3.39Å; L127-T130 PolarHBondContact O-N 3.22Å; T130-K132 VanDerWaalsContact C-N 3.33Å; T130-K132 PolarHBondContact O-N 2.88Å; T130-H133 PolarHBondContact O-N 2.91Å; T130-L134 WeakPolarHBondContact O-CB 3.47Å; T130-L134 PolarHBondContact O-N 2.89Å
131L87.7Confident82.8Confident100 Ų10078.9 Ų78.952%0.52438%0.38SS..Hα-helixtrans-62.9-36.4172.5-71.8172.9000112.7L127 E129 R135L127-L131 HydrophobicContact CD1-CD1 4.3Å; L127-L131 HydrophobicContact CD1-CG 4.36Å; L127-L131 HydrophobicContact CG-CD1 4.1Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.87Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.91Å; L131-R135 VanDerWaalsContact O-CB 3.29Å; L131-R135 WeakPolarHBondContact O-CB 3.18Å; L131-R135 PolarHBondContact O-N 2.94Å
132K88.7Confident81.4Confident125 Ų12582.8 Ų82.854%0.54340%0.404SS..Hα-helixtrans-66.8-44.2172.5-78.6172.1175.3177.80111.8I128 E129 T130 R135 N136I128-K132 HydrophobicContact CG2-CD 4.35Å; I128-K132 WeakPolarHBondContact O-CB 3.33Å; I128-K132 WeakPolarHBondContact O-CG 3.3Å; I128-K132 PolarHBondContact O-N 2.86Å; E129-K132 WeakPolarHBondContact O-CB 3.34Å; E129-K132 PolarHBondContact O-N 3.27Å; E129-K132 VanDerWaalsContact O-N 3.08Å; T130-K132 VanDerWaalsContact C-N 3.33Å; T130-K132 PolarHBondContact O-N 2.88Å; K132-R135 PolarHBondContact O-N 3.45Å; K132-N136 PolarHBondContact O-N 3.47Å; K132-N136 PolarHBondContact O-OD1 3.41Å
133H85.4Confident79.5Confident74 Ų7489 Ų8934%0.34344%0.436SS..Hα-helixtrans-61.3-48.4177.6-70.4-61000111.2E115 E129 T130 R135 N136 Q137E115-H133 IonicContact OE2-CD2 3.44Å; E115-H133 PolarHBondContact OE2-CD2 3.18Å; E115-H133 IonicContact OE2-CG 3.85Å; E129-H133 PolarHBondContact O-CD2 3Å; E129-H133 PolarHBondContact O-N 3.5Å; T130-H133 PolarHBondContact O-N 2.91Å; H133-R135 VanDerWaalsContact C-N 3.34Å; H133-R135 PolarHBondContact O-N 3.38Å; H133-N136 PolarHBondContact O-N 3.43Å; H133-N136 VanDerWaalsContact O-N 3.15Å; H133-Q137 PolarHBondContact O-N 3.34Å
134L85.7Confident77.5Confident105 Ų10594.1 Ų94.155%0.5547%0.472SS..Hα-helixtrans-61-39.7176.4-175.463.4000112.6T130 N136 K138T130-L134 WeakPolarHBondContact O-CB 3.47Å; T130-L134 PolarHBondContact O-N 2.89Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.93Å; L134-K138 PolarHBondContact O-N 3.37Å
135R87.1Confident75.2Confident169 Ų16996.4 Ų96.464%0.63849%0.493SS*.Hα-helixtrans-64.1-36.8175.8-167.5-169.473.2144.45.4112.2L131 K132 H133L131-R135 VanDerWaalsContact O-CB 3.29Å; L131-R135 WeakPolarHBondContact O-CB 3.18Å; L131-R135 PolarHBondContact O-N 2.94Å; K132-R135 PolarHBondContact O-N 3.45Å; H133-R135 VanDerWaalsContact C-N 3.34Å; H133-R135 PolarHBondContact O-N 3.38Å
136N82.7Confident72.9Confident76 Ų7699 Ų9941%0.40651%0.512SS..Hα-helixtrans-74.1-43.4-179.2-65.9-7.6000111.4K132 H133 L134 K138 I139K132-N136 PolarHBondContact O-N 3.47Å; K132-N136 PolarHBondContact O-OD1 3.41Å; H133-N136 PolarHBondContact O-N 3.43Å; H133-N136 VanDerWaalsContact O-N 3.15Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.93Å; N136-K138 PolarHBondContact O-N 2.92Å; N136-I139 WeakPolarHBondContact O-CB 3.36Å; N136-I139 PolarHBondContact O-N 3.24Å
137Q77.3Confident70.7Confident119 Ų119104.6 Ų104.656%0.55655%0.551SS**Hα-helixtrans-55.5-37175.5-71.4177.91500112.6H133 I139 D140H133-Q137 PolarHBondContact O-N 3.34Å; Q137-I139 PolarHBondContact O-N 2.88Å; Q137-I139 VanDerWaalsContact O-N 3.15Å; Q137-D140 PolarHBondContact O-N 2.91Å
138K73.4Confident68.2Low175 Ų175107.8 Ų107.876%0.76158%0.581SS**Hα-helixtrans-68.2-8.7179.1-163.3171.6-178.5177.10114.4L134 N136L134-K138 PolarHBondContact O-N 3.37Å; N136-K138 PolarHBondContact O-N 2.92Å
139I64.9Low66.1Low90 Ų90110.1 Ų110.146%0.46261%0.605SS.*Hα-helixtrans-90.2-42.9179.3-64.1171.5000110.6N136 Q137 E141 T142N136-I139 WeakPolarHBondContact O-CB 3.36Å; N136-I139 PolarHBondContact O-N 3.24Å; Q137-I139 PolarHBondContact O-N 2.88Å; Q137-I139 VanDerWaalsContact O-N 3.15Å; I139-E141 VanDerWaalsContact C-N 3.34Å; I139-E141 PolarHBondContact O-N 3.42Å; I139-T142 PolarHBondContact O-N 3.39Å; I139-T142 VanDerWaalsContact O-N 3.15Å; I139-T142 PolarHBondContact O-OG1 2.91Å
140D59.3Low64Low119 Ų119116 Ų11664%0.63664%0.638SS**Hα-helixtrans-68-26.4-171.1-68.3-30.6000114.4Q137 T142 S144Q137-D140 PolarHBondContact O-N 2.91Å; D140-T142 PolarHBondContact O-N 3.43Å; D140-S144 PolarHBondContact O-OG 3.48Å
141E58.7Low62.3Low180 Ų180122.7 Ų122.784%0.84167%0.673SS**THydrogen-bonded Turntrans-70.6-16.1175.8-65.3-146.6145.200113.8I139I139-E141 VanDerWaalsContact C-N 3.34Å; I139-E141 PolarHBondContact O-N 3.42Å
142T55.8Low60.4Low96 Ų96123.2 Ų123.259%0.58969%0.685SS**THydrogen-bonded Turntrans-86.1-23-174.5-3.50000114.8I139 D140I139-T142 PolarHBondContact O-N 3.39Å; I139-T142 VanDerWaalsContact O-N 3.15Å; I139-T142 PolarHBondContact O-OG1 2.91Å; D140-T142 PolarHBondContact O-N 3.43Å
143D50.6Low58.4Low141 Ų141128.1 Ų128.175%0.75470%0.7SS**THydrogen-bonded Turntrans-114.3-0.8-168.6-70.5-30.3000114.5S145D143-S145 PolarHBondContact O-N 3.07Å
144S47.8Very low56.7Low107 Ų107131.6 Ų131.675%0.74872%0.721SS**  trans-90.39.7-174.6-67.20000116.2D140D140-S144 PolarHBondContact O-OG 3.48Å
145S43.5Very low54.9Low106 Ų106134.7 Ų134.774%0.74174%0.738SS**SBendtrans-103.131.8-174.152.50000115.1D143D143-S145 PolarHBondContact O-N 3.07Å
146T41.5Very low52.9Low134 Ų134134.9 Ų134.982%0.82274%0.744SS**  trans-150.370.5169.3-47.40000114
147S41.1Very low50.8Low118 Ų118137.7 Ų137.783%0.82575%0.754SS**  trans-159.1130.9147.8570000115.3
148A38.6Very low49.5Very low95 Ų95137.9 Ų137.979%0.78577%0.769SS**  trans22110.7150.100000121.2
149S44.5Very low48.4Very low124 Ų124136.8 Ų136.887%0.86777%0.766SS**  trans-162.479.4130.9-860000112.1
150N43.8Very low47.5Very low166 Ų166138.4 Ų138.489%0.88878%0.78SS**  trans-96.2102.5167.5-75-15.5000109.6
151N51.5Low47Very low158 Ų158137.8 Ų137.885%0.84579%0.786SS**  trans-160.7153.5162.6-118.6-18.4000112.9
152S46.8Very low46.5Very low111 Ų111135.5 Ų135.578%0.77678%0.779SS**  trans61.894.6-178.4-57.30000114.3
153R46.7Very low46.4Very low227 Ų227139.3 Ų139.386%0.85779%0.787SS**  cis71.3122.838-137.4-176.2-171.4136.72.2113.3
154N49.5Very low46.1Very low147 Ų147138.4 Ų138.479%0.78679%0.787SS**  trans79.8111.2176.1-40.4-19.6000113.6
155N48.6Very low46.2Very low170 Ų170140.6 Ų140.691%0.90979%0.79SS**  -151.8168.368.2-136.44.1000114.4
156F44.1Very low46Very low173 Ų173142.2 Ų142.276%0.75979%0.79SS**  trans-106.2158-163.4176.4-119.1000113.1
157E38.3Very low46.3Very low135 Ų135141.3 Ų141.363%0.63178%0.784SS**  trans77.6107.2154.4-148.2157.1-151.900121.2
158S50.2Low46.5Very low124 Ų124141.3 Ų141.387%0.86778%0.781SS**  -156.3150.6125.5-166.40000110.6
159Q50.6Low46.4Very low151 Ų151143.8 Ų143.871%0.70678%0.782SS**  trans-92.8131.4-165.9-64.4-177.523.300112.6
160V45.9Very low46.3Very low124 Ų124148.4 Ų148.475%0.75278%0.78SS**  77.4137102.6-177.40000116.1
161S50Low46.1Very low107 Ų107145.7 Ų145.775%0.74877%0.766SS**  trans91.8132.6176.4-36.20000114.4
162D48.2Very low46.1Very low131 Ų131143.7 Ų143.770%0.70176%0.759SS**  cis-149.7177.32.3-138-39.1000112.9
163K52.5Low45.7Very low176 Ų176145.6 Ų145.677%0.76576%0.76SS**  trans-66.2154.5-167.4-56.3133.5-173.81520115.3
164T45.5Very low45.4Very low123 Ų123138.2 Ų138.276%0.75575%0.754SS**  172.3116.5108.4-710000114.7
165L48.2Very low45.2Very low152 Ų152137.4 Ų137.480%0.79676%0.761SS**  trans48.6116.4149.1-62.8166.5000123.8
166N40.5Very low45.2Very low141 Ų141135.1 Ų135.175%0.75476%0.758SS**  27.9145.9118.4-81.612.2000120.9
167T46.5Very low45Very low114 Ų114136 Ų13670%0.69976%0.761SS**  cis179.4-177.15.727.80000107.5
168P47.1Very low45.7Very low118 Ų118136.4 Ų136.477%0.76677%0.773SS**  -127.7-179.8-62.839.3-21.3000113.5
169N35.7Very low45.2Very low147 Ų147139.8 Ų139.879%0.78677%0.772SS**  trans-54.9147.5178.5-169.74.9000116.1
170R41.8Very low44.6Very low221 Ų221141.6 Ų141.683%0.83478%0.78SS**  trans-134.9102.7161.2179174.2167.3167.4-5.2110.7
171N40.5Very low44.2Very low110 Ų110139.8 Ų139.859%0.58878%0.779SS**  trans-91.9144.2169.3-1748.7000110.6N173N171-N173 PolarHBondContact OD1-OD1 3.44Å
172V52Low44.1Very low116 Ų116142.8 Ų142.870%0.70378%0.784SS**  trans-139.299.9167.3-84.70000109.8
173N37.4Very low43.9Very low151 Ų151143.8 Ų143.881%0.80779%0.79SS**  trans-80148.8170-78.4-9.3000110.9N171N171-N173 PolarHBondContact OD1-OD1 3.44Å
174G40.2Very low42.8Very low71 Ų71142 Ų14273%0.73279%0.794SS**  trans176.397.4163.800000115.7
175S46.4Very low42.7Very low131 Ų131141.1 Ų141.192%0.91679%0.793SS**  176.2142124.5-79.20000112.2
176S47.9Very low42.5Very low122 Ų122142.7 Ų142.785%0.85380%0.796SS**  trans-91.6150.9-168.5-580000114.1
177K39.4Very low42.2Very low191 Ų191144.8 Ų144.883%0.8380%0.801SS**  trans-68.6145.9164.1-78174.8174.3168.60110.9
178V52.1Low41.8Very low144 Ų144146.2 Ų146.287%0.87381%0.81SS**  trans-121.8129.4150.4-178.30000107.4
179K40.9Very low41Very low194 Ų194145.8 Ų145.884%0.84381%0.807SS**  trans-106.5141.6168.3-82.4-177.9172.3-178.30107.3
180E38.5Very low41Very low189 Ų189146 Ų14688%0.88381%0.808SS**  trans-143.3151.5153.1-158.1158.1-153.100109.6
181A37.3Very low40.9Very low87 Ų87143.8 Ų143.872%0.71981%0.807SS**  trans-136140.1-169.400000109.8
182I48.4Very low40.5Very low169 Ų169146.6 Ų146.687%0.86782%0.816SS**  trans-135.2146.2172.5-55.2-177.3000109.3
183N42.4Very low39.9Very low153 Ų153146.8 Ų146.882%0.81882%0.817SS**  trans-93.6161.6-153.6-66.2-49.3000116.4
184T30.3Very low39.7Very low138 Ų138145.3 Ų145.385%0.84781%0.813SS**  trans-61.3138.2163.2-54.50000113.7
185S43Very low39.9Very low104 Ų104146.9 Ų146.973%0.72781%0.809SS**  trans-172149.2155.5-86.90000107.5
186Q43.6Very low39.5Very low186 Ų186147.9 Ų147.987%0.86980%0.804SS**  cis-158.4162.2-18.3-123.6178.7-0.700106.4
187E35.8Very low39.5Very low184 Ų184149.6 Ų149.686%0.8680%0.798SS**  trans-76.9149-179.2-60.2170.811000113.2
188T37Very low39.5Very low144 Ų144146.3 Ų146.388%0.88380%0.8SS**  trans-159.2124.6142.8-30.50000111.2
189P31.3Very low39.4Very low109 Ų109144.6 Ų144.671%0.70879%0.794SS**  trans-113.9158.1-179.940.4-33000115.2
190L34.6Very low39.3Very low153 Ų153145.6 Ų145.680%0.80179%0.792SS**  trans66.3115.7164.3-53.6-177.6000120.3
191Q40.3Very low39.6Very low174 Ų174143 Ų14381%0.81379%0.789SS**  160.6113.1128.8-90.2153.588.500108.5
192E32.1Very low40.2Very low169 Ų169145.7 Ų145.779%0.7979%0.787SS**  87.9129.994.5-171.9177.1-166.300112.1
193V38.8Very low40Very low119 Ų119146.4 Ų146.472%0.72179%0.789SS**  trans171.1116.5138.6152.20000108.7T195V193-T195 HydrophobicContact CG1-CG2 3.89Å
194V33.9Very low40.1Very low120 Ų120150.1 Ų150.173%0.72779%0.792SS**  trans-76.4128.6169.9173.20000109.2
195T43.9Very low41Very low105 Ų105150.5 Ų150.564%0.64479%0.794SS**  trans-131.786.4168.542.90000112.8V193 H197V193-T195 HydrophobicContact CG1-CG2 3.89Å; T195-H197 PolarHBondContact O-N 2.76Å; T195-H197 PolarHBondContact O-ND1 3.42Å
196N38.2Very low41.3Very low151 Ų151150.4 Ų150.481%0.80779%0.794SS**  trans-54.6129.1163.2-67.7-41.5000110.5
197H47.4Very low41.5Very low158 Ų158148.5 Ų148.573%0.73179%0.794SS**  trans-136.585.5165.948.8-80.8000111.1T195 S199T195-H197 PolarHBondContact O-N 2.76Å; T195-H197 PolarHBondContact O-ND1 3.42Å; H197-S199 PolarHBondContact O-N 3.3Å; H197-S199 VanDerWaalsContact O-N 3.16Å
198S40.3Very low42Very low123 Ų123148 Ų14886%0.8680%0.796SS**  trans-62.9107.8166.7-67.60000110.7
199S50.1Low42Very low108 Ų108144.6 Ų144.676%0.75579%0.789SS**  trans-10681.7170.3-74.50000110.9H197 T201H197-S199 PolarHBondContact O-N 3.3Å; H197-S199 VanDerWaalsContact O-N 3.16Å; S199-T201 PolarHBondContact O-N 2.98Å
200R39.4Very low42.6Very low214 Ų214145.6 Ų145.681%0.80880%0.799SS**  trans-62.3104.8172.1174.6-170.2-173.3172.92.9110.8
201T44.2Very low43.2Very low134 Ų134145.2 Ų145.282%0.82280%0.803SS**  trans-116117.7164.8-55.40000109.9S199S199-T201 PolarHBondContact O-N 2.98Å
202Q49.1Very low43.1Very low144 Ų144143.8 Ų143.867%0.67380%0.801SS**  trans-81153.4173.7-53.4170.743.100108.9
203M43.7Very low43.8Very low185 Ų185141.1 Ų141.191%0.91180%0.801SS**  -178142.4126.9-94.6-59.7171.700109.6
204R44.7Very low44.3Very low231 Ų231140.4 Ų140.487%0.87280%0.799SS**  trans-88.6147.6179.7-57157.892.3175.87108.6
205T49.6Very low45.1Very low146 Ų146145.8 Ų145.890%0.89681%0.806SS**  trans-106.8137.5160.2530000109.6
206S49.2Very low45.2Very low102 Ų102144.9 Ų144.971%0.71380%0.802SS**  trans-122.5131.4178.9-64.80000110.1
207V47.6Very low45.5Very low145 Ų145145 Ų14588%0.87980%0.802SS**  trans25120149.6-169.40000118.2
208I45.9Very low45.8Very low174 Ų174143.6 Ų143.689%0.89280%0.804SS**  trans-92145.5167.8-61.2165.5000109.3
209G38.3Very low46.2Very low73 Ų73143.1 Ų143.175%0.75380%0.798SS**  trans139.783158.400000115.3
210S43.5Very low45.9Very low129 Ų129146 Ų14690%0.90281%0.805SS**  trans-97.3151.2173.3-58.70000112.2
211T46.3Very low46.4Very low145 Ų145141.1 Ų141.189%0.8980%0.804SS**  trans-85.2146.5172.349.80000112
212D39.7Very low46.8Very low144 Ų144140.9 Ų140.977%0.7781%0.805SS**  trans-106.1145.4-179-17832.9000113.1
213S46.2Very low46.4Very low113 Ų113138.4 Ų138.479%0.7981%0.809SS**  trans-171.1148.1162.8-83.60000111.1
214P49.6Very low46.4Very low104 Ų104136.7 Ų136.768%0.67580%0.803SS**  trans-135177.6-130.339.6-23.2000118.4
215R49.8Very low46.4Very low234 Ų234130.9 Ų130.988%0.88380%0.797SS**  trans81.4160.5150.7-95-159.8151.3-151.3-2.6119.8
216P47Very low46.1Very low86 Ų86128.6 Ų128.656%0.55879%0.787SS**  -146.3-155.9-60.238.5-15.1000115.2
217L44.6Very low46Very low153 Ų153130.7 Ų130.780%0.80180%0.795SS**  trans90.4136.4165.6-49.3-176.9000116.1
218T52.8Low45.8Very low128 Ų128126.8 Ų126.879%0.78578%0.784SS**  cis-159.6162.9-0.718.60000110.8
219P48.4Very low45.7Very low113 Ų113128.3 Ų128.373%0.73479%0.785SS**  trans-111.6172.1-17541.3-33.2000116.1
220N44.7Very low46.3Very low168 Ų168130.9 Ų130.990%0.89879%0.786SS**  trans-160.7165.3159.1-104.3-31.5000113.7
221S50.4Low46Very low113 Ų113132.9 Ų132.979%0.7978%0.781SS**  trans-101.3174-143.2-57.30000119.4
222P51Low46.1Very low129 Ų129131.7 Ų131.784%0.83878%0.778SS**  trans-116.3-178.1-169.243.5-33.4000116.9
223A41.3Very low46.4Very low91 Ų91131.2 Ų131.275%0.75278%0.783SS**  trans-165.8165.3174.300000110
224L43.6Very low46.4Very low150 Ų150129.6 Ų129.679%0.78578%0.784SS**  cis-169.2137.4-17.7-117.9172.8000110.6
225S44Very low46Very low108 Ų108136.4 Ų136.476%0.75580%0.796SS**  trans59.9161.2151.372.10000120.9
226S44.1Very low45.6Very low98 Ų98130 Ų13069%0.68579%0.793SS**  cis-176.4172.8-24.758.10000110.6
227V46.9Very low45.4Very low146 Ų146133 Ų13389%0.88580%0.804SS**  trans71.4141.1164.9-176.90000117.3
228G43.4Very low45.5Very low63 Ų63130 Ų13065%0.64980%0.796SS**  cis152135.1-12.400000115
229K44.3Very low45Very low206 Ų206128 Ų12890%0.89680%0.801SS**  trans58.5158.1167-80.6178.7171.4-178.50117.4
230V50Low44.7Very low128 Ų128126.2 Ų126.278%0.77680%0.803SS**  cis-151.2177.220.5-129.70000112.2
231E37.9Very low44.7Very low171 Ų171124 Ų12480%0.79980%0.801SS**  trans-76.1156.9-174.1-59.9142.883.200117.7
232S48.2Very low44.3Very low119 Ų119124.5 Ų124.583%0.83281%0.805SS**  175.1143.4116.1-76.80000113.5
233P46.7Very low44.6Very low135 Ų135122.9 Ų122.988%0.87779%0.794SS**  trans-98.8155.6-175.837.5-34.7000115.4
234G44.6Very low45.1Very low78 Ų78124.4 Ų124.480%0.80480%0.799SS**  trans-128.8151.2178.700000114.1
235R41.6Very low45.8Very low248 Ų248121.9 Ų121.994%0.93679%0.785SS**  trans-81.1145.3-170-81.1154.150.9174.5-4.6114.9
236A42.8Very low46.3Very low98 Ų98122.9 Ų122.981%0.8179%0.787SS**  trans19.4135144.800000121.2
237N42.6Very low47.1Very low149 Ų149125.9 Ų125.980%0.79778%0.783SS**  -168.5154.3107-157.716.3000114.1
238S46.4Very low47.7Very low90 Ų90125.5 Ų125.563%0.62978%0.781SS**  trans41111.3148.462.80000122.2
239G42.1Very low48Very low86 Ų86130.2 Ų130.289%0.88778%0.783SS**  67.3127.811000000121
240G42.1Very low49Very low76 Ų76124.4 Ų124.478%0.78477%0.774SS**  trans151.9119.4159.700000114.9
241S44.6Very low49.8Very low121 Ų121124.7 Ų124.785%0.84678%0.779SS**  trans40.1113.4160.9-64.30000120.2P243S241-P243 VanDerWaalsContact O-CD 3.29Å; S241-P243 WeakPolarHBondContact O-CD 3.44Å
242S42.2Very low50.7Low125 Ų125122.5 Ų122.587%0.87478%0.777SS**  trans-67.2124.9155.2-51.50000111.1
243P57.8Low50.8Low95 Ų95126.7 Ų126.762%0.61778%0.78SS**  trans-90.3130.5155.732.8-26.8000109.4S241 I245S241-P243 VanDerWaalsContact O-CD 3.29Å; S241-P243 WeakPolarHBondContact O-CD 3.44Å; P243-I245 HydrophobicContact CB-CG1 4.21Å; P243-I245 HydrophobicContact CG-CD1 4.18Å; P243-I245 HydrophobicContact CG-CG1 3.98Å; P243-I245 PolarHBondContact O-N 3.46Å; P243-I245 VanDerWaalsContact O-N 3.12Å
244S51.4Low51Low123 Ų123129.7 Ų129.786%0.8678%0.779SS**  trans-68.4106.3163.8-177.90000108.2
245I58Low51.2Low96 Ų96135.6 Ų135.649%0.49279%0.786SS.*  trans-100100.7179.9-43-178.9000109.9P243 R247P243-I245 HydrophobicContact CB-CG1 4.21Å; P243-I245 HydrophobicContact CG-CD1 4.18Å; P243-I245 HydrophobicContact CG-CG1 3.98Å; P243-I245 PolarHBondContact O-N 3.46Å; P243-I245 VanDerWaalsContact O-N 3.12Å; I245-R247 HydrophobicContact CB-CG 4.1Å; I245-R247 HydrophobicContact CG2-CG 3.36Å; I245-R247 PolarHBondContact O-N 2.99Å
246V54.6Low51.7Low129 Ų129129.5 Ų129.578%0.78278%0.781SS**  trans-66.696.5158.3179.30000107.8
247R60.7Low52Low162 Ų162130.1 Ų130.161%0.61178%0.78SS**  trans-91.5102.9175.1-66.8-165.4-178.7-136.10.5110.5I245 F249I245-R247 HydrophobicContact CB-CG 4.1Å; I245-R247 HydrophobicContact CG2-CG 3.36Å; I245-R247 PolarHBondContact O-N 2.99Å; R247-F249 HydrophobicContact CB-CD2 3.8Å; R247-F249 HydrophobicContact CB-CE2 3.4Å; R247-F249 VanDerWaalsContact CB-CE2 3.4Å; R247-F249 HydrophobicContact CB-CZ 3.97Å; R247-F249 VanDerWaalsContact CD-CZ 3.45Å; R247-F249 HydrophobicContact CG-CE2 4.15Å; R247-F249 HydrophobicContact CG-CZ 4.33Å; R247-F249 PolarHBondContact O-N 3.14Å
248V59.1Low52.4Low138 Ų138129.8 Ų129.884%0.83678%0.777SS**  trans-76.7104164.6-177.90000107.9
249F50.6Low53.1Low161 Ų161133.1 Ų133.171%0.70679%0.788SS**PPolyproline II helixtrans-93.5130.2175-74.2-76.2000111.1R247R247-F249 HydrophobicContact CB-CD2 3.8Å; R247-F249 HydrophobicContact CB-CE2 3.4Å; R247-F249 VanDerWaalsContact CB-CE2 3.4Å; R247-F249 HydrophobicContact CB-CZ 3.97Å; R247-F249 VanDerWaalsContact CD-CZ 3.45Å; R247-F249 HydrophobicContact CG-CE2 4.15Å; R247-F249 HydrophobicContact CG-CZ 4.33Å; R247-F249 PolarHBondContact O-N 3.14Å
250A66.1Low53.7Low85 Ų85136.1 Ų136.170%0.70278%0.783SS**PPolyproline II helixtrans-87.8147.3171.500000110.8V252A250-V252 PolarHBondContact O-N 3.34Å
251P66.2Low55Low134 Ų134140 Ų14087%0.8779%0.786SS**PPolyproline II helixtrans-73.7124.6-176.128.7-34.3000112.3
252V57Low55.7Low125 Ų125143.5 Ų143.576%0.75879%0.786SS**PPolyproline II helixtrans-92.2122.4171.71740000109.6A250A250-V252 PolarHBondContact O-N 3.34Å
253K49.2Very low57Low207 Ų207142 Ų14290%0.978%0.776SS**PPolyproline II helixtrans-70.5127.4166.6-75.7-179.3173.8179.90109.7
254K51Low57.5Low198 Ų198144.1 Ų144.186%0.86178%0.782SS**  trans-114.2131.2159.4-80.4-173175.2179.20109.7
255Q48.4Very low58.7Low201 Ų201145.1 Ų145.194%0.93978%0.783SS**  trans-80.3142.2163.7-68.2165.5-90.600108.6
256S52Low59.2Low121 Ų121146.1 Ų146.185%0.84679%0.789SS**  trans-118.5119.6159.844.50000108.2
257S50.1Low60Low111 Ų111146.5 Ų146.578%0.77679%0.787SS**  trans-92.4133171.847.20000109.4
258L51.7Low60.4Low142 Ų142145.3 Ų145.374%0.74379%0.793SS**  trans-61.6148.6159.4-80.888.4000109.5
259N59.7Low60.9Low159 Ų159145.2 Ų145.285%0.8579%0.787SS**  trans-148.4112.3142.5-86.7-26.1000106.1
260D55.6Low61.8Low149 Ų149144.8 Ų144.880%0.79779%0.793SS**  trans-72.7134.8159.6-61.7-75.1000107.7
261D68.8Low62Low158 Ų158147.5 Ų147.585%0.84580%0.795SS**  trans-134.3141.3167-153-11000109.9
262K59.5Low62Low194 Ų194148.9 Ų148.984%0.84379%0.793SS**  trans-147.7102.5-163-166-163.3-169.174.20109.6
263S70.1Confident62.5Low95 Ų95150.7 Ų150.766%0.66479%0.794SS**  trans-143.6117.5164.850.80000106.1
264D68.3Low63.1Low139 Ų139150 Ų15074%0.74379%0.79SS**  53.198.877.9-74.1-6.2000111.1
265V75.4Confident63.4Low144 Ų144150.2 Ų150.287%0.87382%0.815SS**  trans-136113.3155.9178.30000104.8
266D70Confident64.1Low117 Ų117147.7 Ų147.763%0.62681%0.809SS**  trans-81.7173.6-172.6-53-75.2000113.3
267D70Confident64.8Low136 Ų136149.1 Ų149.173%0.72781%0.807SS**  trans56.2106.4149.7-56-13.4000117.5
268D69Low65.6Low138 Ų138151.2 Ų151.274%0.73881%0.809SS**  94.2136.569.1-84.7-10.7000111.8
269D69.8Low66.4Low136 Ų136151.8 Ų151.873%0.72781%0.812SS**  trans31.1117.6155.2-58.1-24.5000119.9
270D69.9Low66.8Low152 Ų152151.3 Ų151.381%0.81381%0.81SS**  -171.7151.297.3-103.7-30000113.6
271D70.2Confident67.6Low141 Ų141151.5 Ų151.575%0.75481%0.811SS**  trans-37.8149.7165.9-69.5-44.1000115.3
272I67Low67.5Low163 Ų163151 Ų15184%0.83681%0.809SS**  -179.7151.783.6-146155.1000113.4
273E66.6Low68.1Low164 Ų164147.7 Ų147.777%0.76681%0.806SS**  trans-60.9150.4174.3-50.6176.9132.100113.3
274K62.8Low67.9Low191 Ų191152.1 Ų152.183%0.8382%0.818SS**  -178.2141.7112.5-101.7161.8-175.5170.80115.6
275C56.4Low67.9Low204 Ų204153.3 Ų153.3100%1.37882%0.824SS**  trans74.40161.6-64.40000117.8

Retrieved 275 of 275 residues in 40.1 ms (Link to these results)