A0A096NCZ2_PAPAN Loading...

3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7

AlphaFold DB (A0A1D5Q2G2), UniProt , Accession A0A096NCZ2, Species PAPAN (Papio anubis, Olive baboon), Gene HSD17B7, Length 341 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
1M70.6Confident93.6Very high191 Ų19138.8 Ų38.894%0.94119%0.192SC*.  0144.20-75.7-172.4-131.700107.7
2R89.5Confident93.4Very high108 Ų10839.6 Ų39.641%0.40820%0.204SC..PPolyproline II helixtrans-66.2145.9176-69.9176.9169.4-166-14.1110.2V4 E28 H30 T54 E56R2-V4 PolarHBondContact O-N 3.16Å; R2-E28 VanDerWaalsContact CD-O 3.22Å; R2-E28 WeakPolarHBondContact CD-O 3.32Å; R2-E28 VanDerWaalsContact CG-O 3.27Å; R2-E28 WeakPolarHBondContact CG-O 3.48Å; R2-H30 HydrophobicContact CB-CB 4.39Å; R2-T54 PolarHBondContact NH1-O 3.42Å; R2-T54 PolarHBondContact NH2-O 3.38Å; R2-E56 IonicContact NH1-OE2 2.84Å
3K94.6Very high93.2Very high71 Ų7138.2 Ų38.231%0.30921%0.205SC..PPolyproline II helixtrans-70.5123.3174.8-170.3-179.7-177.8-175.70108.7L29 H30 D85 F272K3-L29 HydrophobicContact CB-CD2 3.78Å; K3-L29 HydrophobicContact CD-CD2 4.26Å; K3-L29 HydrophobicContact CG-CD2 4.32Å; K3-H30 PolarHBondContact O-N 3.25Å; K3-D85 WeakPolarHBondContact CA-OD2 3.3Å; K3-D85 HydrophobicContact CD-CB 4.33Å; K3-D85 HydrophobicContact CG-CB 3.43Å; K3-D85 VanDerWaalsContact CG-CB 3.43Å; K3-F272 HydrophobicContact CD-CE2 3.79Å; K3-F272 HydrophobicContact CD-CZ 3.77Å; K3-F272 PolarHBondContact NZ-O 2.98Å
4V97.8Very high93.3Very high12 Ų1236.5 Ų36.57%0.07320%0.196CC..EExtended strand (participates in β ladder)trans-97.9123-176.9-171.90000109.9R2 H30 F81 L84 D85 C86R2-V4 PolarHBondContact O-N 3.16Å; V4-H30 WeakPolarHBondContact CA-O 3.35Å; V4-H30 HydrophobicContact CG1-CB 4.5Å; V4-H30 HydrophobicContact CG2-CB 4.16Å; V4-F81 HydrophobicContact CG1-CD1 3.6Å; V4-F81 HydrophobicContact CG1-CE1 3.5Å; V4-F81 HydrophobicContact CG1-CG 4.43Å; V4-F81 HydrophobicContact CG1-CZ 4.31Å; V4-F81 HydrophobicContact CG2-CD1 4.2Å; V4-F81 HydrophobicContact CG2-CE1 4.5Å; V4-L84 HydrophobicContact CB-CD2 4.29Å; V4-L84 HydrophobicContact CG1-CD2 3.58Å; V4-D85 PolarHBondContact N-OD2 3.1Å; V4-D85 PolarHBondContact O-N 3.46Å; V4-C86 PolarHBondContact O-N 3.47Å
5V98.4Very high93.5Very high0 Ų034.1 Ų34.10%018%0.183CC..EExtended strand (participates in β ladder)trans-119.1115-179.4-1750000110.3I7 L22 L29 H30 L31 C32 C86 Y88 F272V5-I7 HydrophobicContact CG1-CD1 4.29Å; V5-I7 HydrophobicContact CG1-CG1 4.02Å; V5-L22 HydrophobicContact CG1-CD1 4.05Å; V5-L29 HydrophobicContact CG2-CD2 4.48Å; V5-H30 PolarHBondContact N-O 3.12Å; V5-L31 HydrophobicContact CB-CD2 3.75Å; V5-L31 HydrophobicContact CG1-CD2 4.27Å; V5-L31 HydrophobicContact CG2-CD2 4.34Å; V5-C32 PolarHBondContact O-N 3.22Å; V5-C86 CarbonylContact C-O 3.56Å; V5-C86 WeakPolarHBondContact CA-O 3.49Å; V5-C86 HydrophobicContact CG1-CB 4.19Å; V5-C86 HydrophobicContact CG2-CB 4.24Å; V5-Y88 HydrophobicContact CG1-CD2 3.67Å; V5-Y88 HydrophobicContact CG1-CE2 3.64Å; V5-F272 HydrophobicContact CG2-CE2 3.75Å
6L98.8Very high93.8Very high0 Ų034.6 Ų34.60%019%0.185CC..EExtended strand (participates in β ladder)trans-92.1127.5175-177.470.1000110.2C32 A34 L77 L84 C86 I87 Y88 L153L6-C32 HydrophobicContact CB-CB 4.49Å; L6-C32 HydrophobicContact CD1-CB 3.64Å; L6-C32 WeakPolarHBondContact CD1-SG 3.44Å; L6-A34 HydrophobicContact CD1-CB 3.8Å; L6-A34 HydrophobicContact CG-CB 4.41Å; L6-L77 HydrophobicContact CD1-CD1 4.45Å; L6-L77 HydrophobicContact CD1-CD2 3.92Å; L6-L77 HydrophobicContact CD2-CD1 4.04Å; L6-L84 HydrophobicContact CB-CD2 4.46Å; L6-L84 HydrophobicContact CD2-CD1 4.21Å; L6-C86 PolarHBondContact N-O 3.27Å; L6-I87 HydrophobicContact CB-CB 4.47Å; L6-I87 HydrophobicContact CB-CG1 4.08Å; L6-I87 HydrophobicContact CB-CG2 4.22Å; L6-I87 HydrophobicContact CD2-CD1 4.06Å; L6-I87 HydrophobicContact CD2-CG1 4.37Å; L6-I87 HydrophobicContact CD2-CG2 3.97Å; L6-I87 HydrophobicContact CG-CG2 4.31Å; L6-I87 CarbonylContact O-C 3.55Å; L6-I87 WeakPolarHBondContact O-CA 3Å; L6-Y88 PolarHBondContact O-N 3.2Å; L6-L153 HydrophobicContact CD2-CD1 3.94Å
7I98.8Very high94Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans-125114.4178-55.8169.4000109.5V5 A10 L18 C19 L22 L31 C32 A34 Y88V5-I7 HydrophobicContact CG1-CD1 4.29Å; V5-I7 HydrophobicContact CG1-CG1 4.02Å; I7-A10 HydrophobicContact CB-CB 4.03Å; I7-A10 HydrophobicContact CG2-CB 3.88Å; I7-A10 WeakPolarHBondContact O-CB 3.39Å; I7-L18 HydrophobicContact CD1-CD2 4.02Å; I7-L18 HydrophobicContact CD1-CG 4.14Å; I7-L18 HydrophobicContact CG1-CD2 4.35Å; I7-L18 HydrophobicContact CG2-CD2 4.37Å; I7-C19 VanDerWaalsContact CD1-SG 3.53Å; I7-L22 HydrophobicContact CD1-CD1 4.01Å; I7-L31 HydrophobicContact CD1-CD2 4.48Å; I7-C32 PolarHBondContact N-O 3.16Å; I7-A34 PolarHBondContact O-N 3.21Å; I7-Y88 HydrophobicContact CD1-CD2 4.45Å; I7-Y88 HydrophobicContact CG1-CD2 3.84Å; I7-Y88 HydrophobicContact CG1-CG 4.32Å
8T98.4Very high94.2Very high0 Ų031.4 Ų31.40%017%0.17CC..EExtended strand (participates in β ladder)trans-77.8137.7171.461.60000110.5A10 A34 I64 Y88 L89 N90 A91 H146 L149T8-A10 VanDerWaalsContact C-N 3.33Å; T8-A10 PolarHBondContact O-N 3.46Å; T8-A34 CarbonylContact C-O 3.46Å; T8-A34 WeakPolarHBondContact CA-O 3.5Å; T8-A34 HydrophobicContact CG2-CB 4.07Å; T8-I64 HydrophobicContact CG2-CD1 4.23Å; T8-Y88 PolarHBondContact N-O 3.4Å; T8-Y88 PolarHBondContact OG1-O 2.9Å; T8-L89 WeakPolarHBondContact OG1-CA 3.39Å; T8-N90 WeakPolarHBondContact O-CB 3.47Å; T8-N90 PolarHBondContact O-ND2 3.35Å; T8-N90 PolarHBondContact OG1-N 3.46Å; T8-A91 PolarHBondContact O-N 2.97Å; T8-A91 VanDerWaalsContact O-N 3.15Å; T8-A91 PolarHBondContact OG1-N 3.33Å; T8-A91 VanDerWaalsContact OG1-N 3.1Å; T8-H146 PolarHBondContact OG1-NE2 3.06Å; T8-H146 VanDerWaalsContact OG1-NE2 3.16Å; T8-L149 HydrophobicContact CG2-CD2 3.86Å
9G95.1Very high94.4Very high20 Ų2029.7 Ų29.721%0.20616%0.161CC..THydrogen-bonded Turntrans70.429.1-178.400000113.4S11 A34 N90G9-S11 PolarHBondContact O-N 3.01Å; G9-A34 PolarHBondContact N-O 3.43Å; G9-N90 PolarHBondContact O-ND2 3.22Å
10A95.8Very high94.6Very high0 Ų033.2 Ų33.20%017%0.174CC..THydrogen-bonded Turntrans-68.9-11.4-176.200000115.4I7 T8 S12 L16 L33 C35I7-A10 HydrophobicContact CB-CB 4.03Å; I7-A10 HydrophobicContact CG2-CB 3.88Å; I7-A10 WeakPolarHBondContact O-CB 3.39Å; T8-A10 VanDerWaalsContact C-N 3.33Å; T8-A10 PolarHBondContact O-N 3.46Å; A10-S12 PolarHBondContact O-N 3.09Å; A10-L16 WeakPolarHBondContact O-CA 3.31Å; A10-L16 WeakPolarHBondContact O-CB 3.34Å; A10-L16 PolarHBondContact O-N 3.46Å; A10-L33 HydrophobicContact CB-CB 4.07Å; A10-L33 HydrophobicContact CB-CD2 3.85Å; A10-C35 PolarHBondContact N-SG 3.03Å
11S92.5Very high94.7Very high25 Ų2532.2 Ų32.218%0.17517%0.168CC..THydrogen-bonded Turntrans-83.7-3.3-172.4530000115G9 C35G9-S11 PolarHBondContact O-N 3.01Å; S11-C35 PolarHBondContact N-SG 3.28Å
12S90.3Very high96Very high48 Ų4823.1 Ų23.134%0.33612%0.124SC..SBendtrans-160.1171.1177.6690000113A10 I14 G15 L16A10-S12 PolarHBondContact O-N 3.09Å; S12-I14 PolarHBondContact O-N 3.17Å; S12-G15 PolarHBondContact O-N 3.29Å; S12-L16 PolarHBondContact O-N 3.18Å; S12-L16 VanDerWaalsContact O-N 3.17Å
13G91.6Very high96.4Very high21 Ų2118.1 Ų18.122%0.21611%0.105CC..Hα-helixtrans55.5-133.8169.500000113.6L16 A17 P261G13-L16 PolarHBondContact O-N 3.08Å; G13-A17 PolarHBondContact O-N 3.43Å; G13-A17 VanDerWaalsContact O-N 3.14Å; G13-P261 WeakPolarHBondContact O-CB 3.47Å
14I94.8Very high96.5Very high15 Ų1518 Ų188%0.07712%0.117CC..Hα-helixtrans-61.1-43-179.3-63.1-65.6000111.4S12 L16 A17 L18 N90 P223 A226 T228 P261 T265 L268S12-I14 PolarHBondContact O-N 3.17Å; I14-L16 PolarHBondContact O-N 2.94Å; I14-A17 PolarHBondContact O-N 3.01Å; I14-L18 WeakPolarHBondContact O-CB 3.47Å; I14-L18 PolarHBondContact O-N 3.4Å; I14-N90 WeakPolarHBondContact CG2-OD1 3.38Å; I14-P223 HydrophobicContact CD1-CB 3.81Å; I14-P223 HydrophobicContact CD1-CG 4.47Å; I14-P223 HydrophobicContact CG1-CB 4.16Å; I14-P223 HydrophobicContact CG1-CG 4.34Å; I14-P223 HydrophobicContact CG2-CB 4.38Å; I14-A226 HydrophobicContact CD1-CB 4.14Å; I14-T228 HydrophobicContact CG1-CG2 4.21Å; I14-P261 HydrophobicContact CD1-CB 4.14Å; I14-T265 HydrophobicContact CG2-CG2 3.83Å; I14-T265 WeakPolarHBondContact O-CG2 3.43Å; I14-L268 HydrophobicContact CG2-CD1 3.45Å; I14-L268 VanDerWaalsContact CG2-CD1 3.45Å
15G96.4Very high96.3Very high0 Ų022.5 Ų22.50%014%0.138CC..Hα-helixtrans-61.6-42.6-179.500000113.1S12 L18 C19 N90S12-G15 PolarHBondContact O-N 3.29Å; G15-L18 PolarHBondContact O-N 2.86Å; G15-C19 PolarHBondContact O-N 3.04Å; G15-C19 PolarHBondContact O-SG 3.46Å; G15-N90 WeakPolarHBondContact CA-ND2 3.29Å
16L96.9Very high96Very high43 Ų4325 Ų2523%0.22515%0.151CC..Hα-helixtrans-66.4-44.2175.7174.458.1000112A10 S12 G13 I14 L18 C19 K20 V44A10-L16 WeakPolarHBondContact O-CA 3.31Å; A10-L16 WeakPolarHBondContact O-CB 3.34Å; A10-L16 PolarHBondContact O-N 3.46Å; S12-L16 PolarHBondContact O-N 3.18Å; S12-L16 VanDerWaalsContact O-N 3.17Å; G13-L16 PolarHBondContact O-N 3.08Å; I14-L16 PolarHBondContact O-N 2.94Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 3.45Å; L16-C19 PolarHBondContact O-N 3.25Å; L16-K20 PolarHBondContact O-N 3Å; L16-K20 VanDerWaalsContact O-N 3.16Å; L16-V44 HydrophobicContact CD1-CB 4.18Å; L16-V44 HydrophobicContact CD1-CG1 3.45Å; L16-V44 VanDerWaalsContact CD1-CG1 3.45Å; L16-V44 HydrophobicContact CD1-CG2 3.66Å; L16-V44 HydrophobicContact CD2-CG2 4.33Å
17A97.4Very high95.7Very high11 Ų1128.4 Ų28.49%0.09117%0.169CC..Hα-helixtrans-62.1-37.2177.300000111.7G13 I14 K20 R21 P261 T265G13-A17 PolarHBondContact O-N 3.43Å; G13-A17 VanDerWaalsContact O-N 3.14Å; I14-A17 PolarHBondContact O-N 3.01Å; A17-K20 PolarHBondContact O-N 3.3Å; A17-R21 PolarHBondContact O-N 2.83Å; A17-P261 HydrophobicContact CB-CB 3.8Å; A17-T265 HydrophobicContact CB-CG2 3.93Å
18L98.3Very high95.4Very high0 Ų034.4 Ų34.40%020%0.197CC..Hα-helixtrans-64-46176-179.863.1000111.2I7 I14 G15 L16 K20 R21 L22 Y88 T265 L268 V269I7-L18 HydrophobicContact CD1-CD2 4.02Å; I7-L18 HydrophobicContact CD1-CG 4.14Å; I7-L18 HydrophobicContact CG1-CD2 4.35Å; I7-L18 HydrophobicContact CG2-CD2 4.37Å; I14-L18 WeakPolarHBondContact O-CB 3.47Å; I14-L18 PolarHBondContact O-N 3.4Å; G15-L18 PolarHBondContact O-N 2.86Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 3.45Å; L18-K20 VanDerWaalsContact C-N 3.29Å; L18-K20 PolarHBondContact O-N 2.98Å; L18-R21 PolarHBondContact O-N 3.5Å; L18-L22 HydrophobicContact CD1-CD1 3.9Å; L18-L22 HydrophobicContact CD1-CD2 4.33Å; L18-L22 HydrophobicContact CD1-CG 3.85Å; L18-L22 HydrophobicContact CD2-CD1 4.42Å; L18-L22 HydrophobicContact CG-CD1 3.82Å; L18-L22 HydrophobicContact CG-CG 4.18Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 3.39Å; L18-Y88 HydrophobicContact CD1-CE1 4.31Å; L18-Y88 HydrophobicContact CD2-CD1 3.43Å; L18-Y88 VanDerWaalsContact CD2-CD1 3.43Å; L18-Y88 HydrophobicContact CD2-CD2 3.76Å; L18-Y88 HydrophobicContact CD2-CE1 3.63Å; L18-Y88 HydrophobicContact CD2-CE2 3.96Å; L18-Y88 HydrophobicContact CD2-CG 3.46Å; L18-Y88 VanDerWaalsContact CD2-CG 3.46Å; L18-T265 HydrophobicContact CB-CG2 3.89Å; L18-L268 HydrophobicContact CD1-CB 3.74Å; L18-L268 HydrophobicContact CD2-CB 4.47Å; L18-L268 HydrophobicContact CD2-CD1 4.35Å; L18-V269 HydrophobicContact CD1-CG2 3.82Å
19C98.3Very high95.3Very high0 Ų034.4 Ų34.40%020%0.197CC..Hα-helixtrans-56-45.9176.7-63.20000111.6I7 G15 L16 L23 L31 L33 L48I7-C19 VanDerWaalsContact CD1-SG 3.53Å; G15-C19 PolarHBondContact O-N 3.04Å; G15-C19 PolarHBondContact O-SG 3.46Å; L16-C19 PolarHBondContact O-N 3.25Å; C19-L23 PolarHBondContact O-N 3.24Å; C19-L31 HydrophobicContact CB-CD1 3.9Å; C19-L33 VanDerWaalsContact SG-CD2 3.57Å; C19-L48 HydrophobicContact CB-CD1 3.87Å; C19-L48 HydrophobicContact CB-CD2 4.28Å
20K97.8Very high95.4Very high98 Ų9834.3 Ų34.343%0.42619%0.191SC..Hα-helixtrans-63-42.9178.7-71-176.7174.2-167.70112.3L16 A17 L18 A24 L48L16-K20 PolarHBondContact O-N 3Å; L16-K20 VanDerWaalsContact O-N 3.16Å; A17-K20 PolarHBondContact O-N 3.3Å; L18-K20 VanDerWaalsContact C-N 3.29Å; L18-K20 PolarHBondContact O-N 2.98Å; K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 3.06Å; K20-L48 HydrophobicContact CB-CD2 4.48Å; K20-L48 HydrophobicContact CG-CD2 3.69Å
21R97.4Very high95.6Very high14 Ų1434.3 Ų34.35%0.05319%0.191CC..Hα-helixtrans-70.1-44.6179.7-75.8-176.174.3171.2-4.7112.3A17 L18 L23 A24 E25 Y262 T265 E266 V269A17-R21 PolarHBondContact O-N 2.83Å; L18-R21 PolarHBondContact O-N 3.5Å; R21-L23 VanDerWaalsContact C-N 3.31Å; R21-L23 PolarHBondContact O-N 3.48Å; R21-A24 WeakPolarHBondContact O-CA 3.32Å; R21-A24 WeakPolarHBondContact O-CB 3.49Å; R21-A24 PolarHBondContact O-N 3.12Å; R21-E25 WeakPolarHBondContact O-CG 3.39Å; R21-E25 PolarHBondContact O-N 2.94Å; R21-Y262 HydrophobicContact CG-CD2 3.79Å; R21-Y262 HydrophobicContact CG-CE2 3.34Å; R21-Y262 PolarHBondContact NH1-O 3.4Å; R21-T265 WeakPolarHBondContact CD-OG1 3.49Å; R21-T265 PolarHBondContact NH1-OG1 3.2Å; R21-E266 IonicContact CZ-OE2 3.62Å; R21-E266 VanDerWaalsContact CZ-OE2 3.27Å; R21-E266 IonicContact NH1-OE2 3.74Å; R21-E266 PolarHBondContact NH1-OE2 3.37Å; R21-E266 IonicContact NH2-OE1 3.16Å; R21-E266 IonicContact NH2-OE2 2.72Å; R21-E266 PolarHBondContact NH2-OE2 2.84Å; R21-V269 HydrophobicContact CB-CG2 3.73Å
22L97.8Very high95.8Very high0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-59.4-42.9179.5-70.9175.6000111.7V5 I7 L18 A24 E25 D26 L29 L31 Y88 V269 F272V5-L22 HydrophobicContact CG1-CD1 4.05Å; I7-L22 HydrophobicContact CD1-CD1 4.01Å; L18-L22 HydrophobicContact CD1-CD1 3.9Å; L18-L22 HydrophobicContact CD1-CD2 4.33Å; L18-L22 HydrophobicContact CD1-CG 3.85Å; L18-L22 HydrophobicContact CD2-CD1 4.42Å; L18-L22 HydrophobicContact CG-CD1 3.82Å; L18-L22 HydrophobicContact CG-CG 4.18Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 3.39Å; L22-A24 VanDerWaalsContact C-N 3.26Å; L22-A24 PolarHBondContact O-N 3.29Å; L22-E25 PolarHBondContact O-N 2.89Å; L22-D26 PolarHBondContact O-N 3.36Å; L22-L29 HydrophobicContact CB-CD1 3.96Å; L22-L31 HydrophobicContact CD1-CD2 4.45Å; L22-Y88 HydrophobicContact CD1-CE2 3.87Å; L22-V269 HydrophobicContact CD2-CG2 4.46Å; L22-F272 HydrophobicContact CD2-CB 3.89Å; L22-F272 HydrophobicContact CD2-CD1 3.78Å; L22-F272 HydrophobicContact CD2-CD2 3.88Å; L22-F272 HydrophobicContact CD2-CE1 4.28Å; L22-F272 HydrophobicContact CD2-CE2 4.36Å; L22-F272 HydrophobicContact CD2-CG 3.57Å
23L97.1Very high96.2Very high2 Ų230.9 Ų30.91%0.0117%0.167CC..Hα-helixtrans-69.9-21.4175.1-68.3-177.2000114.1C19 R21 D26 L29 L31 L48 H52 A55 V57C19-L23 PolarHBondContact O-N 3.24Å; R21-L23 VanDerWaalsContact C-N 3.31Å; R21-L23 PolarHBondContact O-N 3.48Å; L23-D26 WeakPolarHBondContact CA-O 3.37Å; L23-L29 HydrophobicContact CD2-CB 4.12Å; L23-L31 HydrophobicContact CD1-CD1 3.85Å; L23-L31 HydrophobicContact CD2-CD1 3.94Å; L23-L31 HydrophobicContact CD2-CG 3.91Å; L23-L31 HydrophobicContact CG-CD1 3.58Å; L23-L31 HydrophobicContact CG-CG 4.15Å; L23-L48 HydrophobicContact CD1-CB 3.94Å; L23-L48 HydrophobicContact CD1-CD1 4.31Å; L23-L48 HydrophobicContact CD1-CD2 4.17Å; L23-L48 HydrophobicContact CD1-CG 4.35Å; L23-H52 VanDerWaalsContact C-CE1 3.44Å; L23-H52 HydrophobicContact CB-CB 4.35Å; L23-H52 HydrophobicContact CD1-CB 4.21Å; L23-H52 PolarHBondContact O-CE1 2.7Å; L23-H52 PolarHBondContact O-ND1 2.71Å; L23-A55 HydrophobicContact CD1-CB 4.04Å; L23-A55 HydrophobicContact CD2-CB 3.61Å; L23-A55 HydrophobicContact CG-CB 4.44Å; L23-V57 HydrophobicContact CD1-CG2 4.39Å
24A95.9Very high96.6Very high70 Ų7030 Ų3058%0.57916%0.158SC*.Hα-helixtrans-77.2-27.7171.900000112.4K20 R21 L22K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 3.06Å; R21-A24 WeakPolarHBondContact O-CA 3.32Å; R21-A24 WeakPolarHBondContact O-CB 3.49Å; R21-A24 PolarHBondContact O-N 3.12Å; L22-A24 VanDerWaalsContact C-N 3.26Å; L22-A24 PolarHBondContact O-N 3.29Å
25E93.6Very high96.7Very high106 Ų10629.4 Ų29.450%0.49516%0.155SC..Hα-helixtrans-82.8-38174.5-60.5-63.5157.400112R21 L22 V269R21-E25 WeakPolarHBondContact O-CG 3.39Å; R21-E25 PolarHBondContact O-N 2.94Å; L22-E25 PolarHBondContact O-N 2.89Å; E25-V269 HydrophobicContact CG-CG1 3.93Å
26D93.6Very high96.6Very high51 Ų5136.6 Ų36.627%0.27318%0.182SC..  trans-148.7105.8-177.4-177.2-10.9000109.8L22 L23 E28 L29L22-D26 PolarHBondContact O-N 3.36Å; L23-D26 WeakPolarHBondContact CA-O 3.37Å; D26-E28 VanDerWaalsContact C-N 3.3Å; D26-E28 WeakPolarHBondContact OD1-CB 3.41Å; D26-E28 PolarHBondContact OD1-N 3.29Å; D26-L29 HydrophobicContact CB-CD1 3.96Å; D26-L29 HydrophobicContact CB-CD2 4.21Å; D26-L29 HydrophobicContact CB-CG 3.76Å; D26-L29 WeakPolarHBondContact O-CD1 3.27Å; D26-L29 VanDerWaalsContact O-CG 3.28Å; D26-L29 WeakPolarHBondContact O-CG 3.22Å; D26-L29 WeakPolarHBondContact OD2-CD2 3.37Å
27D91.8Very high96.5Very high72 Ų7237.7 Ų37.739%0.38519%0.188SC..THydrogen-bonded Turntrans-82.8-5.9-178.572.3-36.5000113.1L29 T54 A55D27-L29 VanDerWaalsContact C-N 3.32Å; D27-T54 PolarHBondContact OD2-OG1 2.99Å; D27-A55 WeakPolarHBondContact O-CA 3.46Å; D27-A55 WeakPolarHBondContact O-CB 3.36Å; D27-A55 PolarHBondContact O-N 2.83Å
28E93.2Very high96.4Very high126 Ų12642.8 Ų42.859%0.58921%0.205SC*.THydrogen-bonded Turntrans-87.7-1.3175.3-59.3-162.8154.200112.9R2 D26R2-E28 VanDerWaalsContact CD-O 3.22Å; R2-E28 WeakPolarHBondContact CD-O 3.32Å; R2-E28 VanDerWaalsContact CG-O 3.27Å; R2-E28 WeakPolarHBondContact CG-O 3.48Å; D26-E28 VanDerWaalsContact C-N 3.3Å; D26-E28 WeakPolarHBondContact OD1-CB 3.41Å; D26-E28 PolarHBondContact OD1-N 3.29Å
29L95.9Very high96.3Very high0 Ų048.9 Ų48.90%024%0.238CC..  trans-63.9146.7179.5-62.7177.4000113K3 V5 L22 L23 D26 D27 L31 E56 F272K3-L29 HydrophobicContact CB-CD2 3.78Å; K3-L29 HydrophobicContact CD-CD2 4.26Å; K3-L29 HydrophobicContact CG-CD2 4.32Å; V5-L29 HydrophobicContact CG2-CD2 4.48Å; L22-L29 HydrophobicContact CB-CD1 3.96Å; L23-L29 HydrophobicContact CD2-CB 4.12Å; D26-L29 HydrophobicContact CB-CD1 3.96Å; D26-L29 HydrophobicContact CB-CD2 4.21Å; D26-L29 HydrophobicContact CB-CG 3.76Å; D26-L29 WeakPolarHBondContact O-CD1 3.27Å; D26-L29 VanDerWaalsContact O-CG 3.28Å; D26-L29 WeakPolarHBondContact O-CG 3.22Å; D26-L29 WeakPolarHBondContact OD2-CD2 3.37Å; D27-L29 VanDerWaalsContact C-N 3.32Å; L29-L31 HydrophobicContact CB-CD2 4.35Å; L29-L31 HydrophobicContact CD1-CD2 4.44Å; L29-E56 PolarHBondContact O-N 3.41Å; L29-F272 HydrophobicContact CD1-CE1 4.33Å; L29-F272 HydrophobicContact CD1-CE2 4.37Å; L29-F272 HydrophobicContact CD1-CZ 3.76Å; L29-F272 HydrophobicContact CD2-CE2 4.38Å; L29-F272 HydrophobicContact CD2-CZ 3.69Å; L29-F272 HydrophobicContact CG-CZ 4.35Å
30H97.9Very high96.2Very high18 Ų1854.8 Ų54.88%0.08326%0.264CS..EExtended strand (participates in β ladder)trans-97.998.8163.8-170.5166.4000109.2R2 K3 V4 V5 E56 T58 F81R2-H30 HydrophobicContact CB-CB 4.39Å; K3-H30 PolarHBondContact O-N 3.25Å; V4-H30 WeakPolarHBondContact CA-O 3.35Å; V4-H30 HydrophobicContact CG1-CB 4.5Å; V4-H30 HydrophobicContact CG2-CB 4.16Å; V5-H30 PolarHBondContact N-O 3.12Å; H30-E56 CarbonylContact C-O 3.55Å; H30-E56 VanDerWaalsContact CA-O 3.31Å; H30-E56 WeakPolarHBondContact CA-O 3.48Å; H30-E56 HydrophobicContact CB-CB 4.22Å; H30-E56 IonicContact CE1-OE1 2.89Å; H30-E56 PolarHBondContact CE1-OE1 3.01Å; H30-E56 IonicContact CE1-OE2 2.71Å; H30-E56 IonicContact ND1-OE1 2.65Å; H30-E56 IonicContact ND1-OE2 2.7Å; H30-E56 IonicContact NE2-OE1 3.22Å; H30-E56 PolarHBondContact NE2-OE1 3.32Å; H30-T58 PolarHBondContact NE2-OG1 3.08Å; H30-F81 AromaticContact CE1-CE1 3.37Å; H30-F81 WeakPolarHBondContact CE1-CE1 3.44Å; H30-F81 AromaticContact ND1-CE1 3.73Å; H30-F81 AromaticContact NE2-CE1 3.62Å; H30-F81 AromaticContact NE2-CZ 3.92Å
31L98.3Very high96.2Very high0 Ų050.1 Ų50.10%024%0.243CC..EExtended strand (participates in β ladder)trans-83.9125.2175-67.5-165.4000111.2V5 I7 C19 L22 L23 L29 L33 E56 V57 T58V5-L31 HydrophobicContact CB-CD2 3.75Å; V5-L31 HydrophobicContact CG1-CD2 4.27Å; V5-L31 HydrophobicContact CG2-CD2 4.34Å; I7-L31 HydrophobicContact CD1-CD2 4.48Å; C19-L31 HydrophobicContact CB-CD1 3.9Å; L22-L31 HydrophobicContact CD1-CD2 4.45Å; L23-L31 HydrophobicContact CD1-CD1 3.85Å; L23-L31 HydrophobicContact CD2-CD1 3.94Å; L23-L31 HydrophobicContact CD2-CG 3.91Å; L23-L31 HydrophobicContact CG-CD1 3.58Å; L23-L31 HydrophobicContact CG-CG 4.15Å; L29-L31 HydrophobicContact CB-CD2 4.35Å; L29-L31 HydrophobicContact CD1-CD2 4.44Å; L31-L33 HydrophobicContact CB-CD2 4.36Å; L31-E56 PolarHBondContact N-O 3.1Å; L31-V57 CarbonylContact O-C 3.32Å; L31-V57 WeakPolarHBondContact O-CA 3.4Å; L31-T58 PolarHBondContact O-N 2.96Å
32C98.6Very high96.2Very high0 Ų052.5 Ų52.50%026%0.255CS..EExtended strand (participates in β ladder)trans-103.8108.9169.2-174.60000110.3V5 L6 I7 A34 T58 F81V5-C32 PolarHBondContact O-N 3.22Å; L6-C32 HydrophobicContact CB-CB 4.49Å; L6-C32 HydrophobicContact CD1-CB 3.64Å; L6-C32 WeakPolarHBondContact CD1-SG 3.44Å; I7-C32 PolarHBondContact N-O 3.16Å; C32-A34 PolarHBondContact O-N 3.03Å; C32-T58 CarbonylContact C-O 3.33Å; C32-T58 WeakPolarHBondContact CA-O 3.44Å; C32-T58 HydrophobicContact CB-CG2 4.5Å; C32-F81 HydrophobicContact CB-CE2 4.32Å; C32-F81 HydrophobicContact CB-CZ 3.92Å
33L98.6Very high96.2Very high1 Ų155.6 Ų55.61%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-84.398178.7-47.1-174.6000109.6A10 C19 L31 C35 V44 R45 L48 V57 T58 I59 V60A10-L33 HydrophobicContact CB-CB 4.07Å; A10-L33 HydrophobicContact CB-CD2 3.85Å; C19-L33 VanDerWaalsContact SG-CD2 3.57Å; L31-L33 HydrophobicContact CB-CD2 4.36Å; L33-C35 PolarHBondContact O-N 2.77Å; L33-V44 HydrophobicContact CD1-CB 4.49Å; L33-V44 HydrophobicContact CD1-CG1 3.91Å; L33-R45 HydrophobicContact CD1-CB 4.25Å; L33-L48 HydrophobicContact CD1-CD1 4.38Å; L33-L48 HydrophobicContact CD2-CD1 4.4Å; L33-V57 HydrophobicContact CD1-CG1 3.65Å; L33-V57 HydrophobicContact CD2-CG1 4.33Å; L33-V57 HydrophobicContact CG-CG1 3.79Å; L33-T58 PolarHBondContact N-O 3.31Å; L33-I59 HydrophobicContact CB-CG1 4.22Å; L33-I59 HydrophobicContact CD1-CG1 4.22Å; L33-V60 PolarHBondContact O-N 3.39Å
34A98.2Very high96.3Very high3 Ų356.1 Ų56.13%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-87103.2175.300000110.2L6 I7 T8 G9 C32 V60 V62L6-A34 HydrophobicContact CD1-CB 3.8Å; L6-A34 HydrophobicContact CG-CB 4.41Å; I7-A34 PolarHBondContact O-N 3.21Å; T8-A34 CarbonylContact C-O 3.46Å; T8-A34 WeakPolarHBondContact CA-O 3.5Å; T8-A34 HydrophobicContact CG2-CB 4.07Å; G9-A34 PolarHBondContact N-O 3.43Å; C32-A34 PolarHBondContact O-N 3.03Å; A34-V60 WeakPolarHBondContact CA-O 3.48Å; A34-V62 HydrophobicContact CB-CG1 3.65Å
35C96.8Very high96.4Very high2 Ų257.2 Ų57.21%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-138.8145.2-170.1-69.80000113.5A10 S11 L33 A41 V60 Q61 V62A10-C35 PolarHBondContact N-SG 3.03Å; S11-C35 PolarHBondContact N-SG 3.28Å; L33-C35 PolarHBondContact O-N 2.77Å; C35-A41 HydrophobicContact CB-CB 3.87Å; C35-V60 PolarHBondContact N-O 3.11Å; C35-Q61 WeakPolarHBondContact O-CA 3.17Å; C35-V62 CarbonylContact C-O 3.15Å; C35-V62 PolarHBondContact O-N 3.22Å
36R94.6Very high96.6Very high151 Ų15155 Ų5557%0.5727%0.273SS*.SBendtrans-68.3-46174.5179.8173.271.8-174.12.5113.2V62 D63R36-V62 WeakPolarHBondContact CA-O 3.26Å; R36-V62 PolarHBondContact N-O 3.29Å; R36-D63 HydrophobicContact CB-CB 4.43Å; R36-D63 WeakPolarHBondContact CD-OD1 3.29Å; R36-D63 WeakPolarHBondContact CD-OD2 3.41Å; R36-D63 HydrophobicContact CG-CB 3.96Å; R36-D63 IonicContact NH1-OD1 3.29Å; R36-D63 IonicContact NH1-OD2 3.61Å
37N95.6Very high96.8Very high67 Ų6755.1 Ų55.136%0.35828%0.278SS..  trans-96.5105.6-177.6-174.6-49.8000110.1N39 K40 A41N37-N39 PolarHBondContact O-N 2.91Å; N37-N39 PolarHBondContact OD1-N 3.06Å; N37-N39 VanDerWaalsContact OD1-N 3.1Å; N37-K40 HydrophobicContact CB-CB 4.26Å; N37-K40 HydrophobicContact CB-CD 4.31Å; N37-K40 HydrophobicContact CB-CG 4.31Å; N37-K40 PolarHBondContact O-N 2.84Å; N37-K40 PolarHBondContact OD1-N 3.27Å; N37-A41 PolarHBondContact O-N 3.09Å; N37-A41 VanDerWaalsContact O-N 3.15Å
38R95.4Very high97.1Very high117 Ų11751.9 Ų51.944%0.44226%0.26SS..Hα-helixtrans-60.4-44.2-178.8-171.5175.1-179.3117.67.5112.7K40 A41 E42R38-K40 VanDerWaalsContact C-N 3.35Å; R38-K40 PolarHBondContact O-N 3.26Å; R38-A41 CarbonylContact O-C 3.57Å; R38-A41 WeakPolarHBondContact O-CA 3.48Å; R38-A41 WeakPolarHBondContact O-CB 3.17Å; R38-A41 PolarHBondContact O-N 2.96Å; R38-E42 HydrophobicContact CG-CG 4.32Å; R38-E42 IonicContact CZ-OE1 3.71Å; R38-E42 IonicContact NE-OE1 3.92Å; R38-E42 IonicContact NH2-OE1 3.87Å; R38-E42 PolarHBondContact NH2-OE1 3.22Å; R38-E42 WeakPolarHBondContact O-CG 3.38Å; R38-E42 PolarHBondContact O-N 3.16Å
39N96.4Very high97.3Very high129 Ų12948 Ų4869%0.6924%0.243SC*.Hα-helixtrans-61.6-41.7-178.1-63.7-12000112.3N37 A41 E42 A43N37-N39 PolarHBondContact O-N 2.91Å; N37-N39 PolarHBondContact OD1-N 3.06Å; N37-N39 VanDerWaalsContact OD1-N 3.1Å; N39-A41 VanDerWaalsContact C-N 3.33Å; N39-E42 PolarHBondContact O-N 2.98Å; N39-A43 PolarHBondContact O-N 3.08Å; N39-A43 VanDerWaalsContact O-N 3.1Å
40K96.2Very high97.3Very high124 Ų12451.8 Ų51.854%0.53928%0.275SS..Hα-helixtrans-64.4-39173.8-70.3-173.5179.5-175.60111.6N37 R38 A43 V44N37-K40 HydrophobicContact CB-CB 4.26Å; N37-K40 HydrophobicContact CB-CD 4.31Å; N37-K40 HydrophobicContact CB-CG 4.31Å; N37-K40 PolarHBondContact O-N 2.84Å; N37-K40 PolarHBondContact OD1-N 3.27Å; R38-K40 VanDerWaalsContact C-N 3.35Å; R38-K40 PolarHBondContact O-N 3.26Å; K40-A43 PolarHBondContact O-N 2.88Å; K40-V44 WeakPolarHBondContact O-CG2 3.32Å; K40-V44 PolarHBondContact O-N 3.17Å; K40-V44 VanDerWaalsContact O-N 3.07Å
41A97.3Very high97.3Very high0 Ų054.9 Ų54.90%030%0.299CS..Hα-helixtrans-66-39.8177.200000112.3C35 N37 R38 N39 V44 R45 I59C35-A41 HydrophobicContact CB-CB 3.87Å; N37-A41 PolarHBondContact O-N 3.09Å; N37-A41 VanDerWaalsContact O-N 3.15Å; R38-A41 CarbonylContact O-C 3.57Å; R38-A41 WeakPolarHBondContact O-CA 3.48Å; R38-A41 WeakPolarHBondContact O-CB 3.17Å; R38-A41 PolarHBondContact O-N 2.96Å; N39-A41 VanDerWaalsContact C-N 3.33Å; A41-V44 PolarHBondContact O-N 2.86Å; A41-R45 WeakPolarHBondContact O-CB 3.33Å; A41-R45 PolarHBondContact O-N 3.46Å; A41-I59 HydrophobicContact CB-CD1 4.05Å; A41-I59 HydrophobicContact CB-CG1 4.12Å; A41-I59 HydrophobicContact CB-CG2 3.81Å
42E98.3Very high97.2Very high64 Ų6456.7 Ų56.730%0.29931%0.307SS..Hα-helixtrans-64-42.1175.4-67.5-68.6179.500111.8R38 N39 V44 R45 A46 I59R38-E42 HydrophobicContact CG-CG 4.32Å; R38-E42 IonicContact CZ-OE1 3.71Å; R38-E42 IonicContact NE-OE1 3.92Å; R38-E42 IonicContact NH2-OE1 3.87Å; R38-E42 PolarHBondContact NH2-OE1 3.22Å; R38-E42 WeakPolarHBondContact O-CG 3.38Å; R38-E42 PolarHBondContact O-N 3.16Å; N39-E42 PolarHBondContact O-N 2.98Å; E42-V44 VanDerWaalsContact C-N 3.32Å; E42-V44 PolarHBondContact O-N 2.78Å; E42-R45 PolarHBondContact O-N 3.02Å; E42-R45 IonicContact OE2-NH1 3.23Å; E42-A46 WeakPolarHBondContact O-CB 3.37Å; E42-A46 PolarHBondContact O-N 3.13Å; E42-I59 HydrophobicContact CB-CD1 4.33Å; E42-I59 HydrophobicContact CG-CD1 3.86Å; E42-I59 VanDerWaalsContact OE2-CD1 3.26Å; E42-I59 WeakPolarHBondContact OE2-CD1 3.49Å
43A97.8Very high97Very high64 Ų6461.9 Ų61.953%0.52934%0.34SS..Hα-helixtrans-61.5-40.7174.400000112.1N39 K40 S47N39-A43 PolarHBondContact O-N 3.08Å; N39-A43 VanDerWaalsContact O-N 3.1Å; K40-A43 PolarHBondContact O-N 2.88Å; A43-S47 PolarHBondContact O-N 3.5Å; A43-S47 VanDerWaalsContact O-N 3.08Å
44V97.9Very high96.7Very high13 Ų1365.1 Ų65.18%0.07936%0.36CS..Hα-helixtrans-64.1-48.2174166.50000111L16 L33 K40 A41 E42 A46 S47 L48L16-V44 HydrophobicContact CD1-CB 4.18Å; L16-V44 HydrophobicContact CD1-CG1 3.45Å; L16-V44 VanDerWaalsContact CD1-CG1 3.45Å; L16-V44 HydrophobicContact CD1-CG2 3.66Å; L16-V44 HydrophobicContact CD2-CG2 4.33Å; L33-V44 HydrophobicContact CD1-CB 4.49Å; L33-V44 HydrophobicContact CD1-CG1 3.91Å; K40-V44 WeakPolarHBondContact O-CG2 3.32Å; K40-V44 PolarHBondContact O-N 3.17Å; K40-V44 VanDerWaalsContact O-N 3.07Å; A41-V44 PolarHBondContact O-N 2.86Å; E42-V44 VanDerWaalsContact C-N 3.32Å; E42-V44 PolarHBondContact O-N 2.78Å; V44-A46 VanDerWaalsContact C-N 3.34Å; V44-A46 PolarHBondContact O-N 3.06Å; V44-S47 WeakPolarHBondContact O-CB 3.38Å; V44-S47 PolarHBondContact O-N 3.36Å; V44-S47 VanDerWaalsContact O-N 3.12Å; V44-L48 HydrophobicContact CG1-CD1 3.82Å; V44-L48 HydrophobicContact CG1-CG 4.16Å; V44-L48 WeakPolarHBondContact O-CG 3.43Å; V44-L48 PolarHBondContact O-N 3.38Å
45R98.4Very high96.5Very high93 Ų9365.3 Ų65.335%0.35136%0.362SS..Hα-helixtrans-55.8-47.3177.3171.5172.7-179.8-86.2-8.5111.8L33 A41 E42 S47 L48 L49 V57 I59L33-R45 HydrophobicContact CD1-CB 4.25Å; A41-R45 WeakPolarHBondContact O-CB 3.33Å; A41-R45 PolarHBondContact O-N 3.46Å; E42-R45 PolarHBondContact O-N 3.02Å; E42-R45 IonicContact OE2-NH1 3.23Å; R45-S47 VanDerWaalsContact C-N 3.33Å; R45-S47 PolarHBondContact O-N 2.97Å; R45-L48 PolarHBondContact O-N 2.94Å; R45-L49 HydrophobicContact CG-CD1 3.83Å; R45-L49 HydrophobicContact CG-CG 4.43Å; R45-L49 WeakPolarHBondContact O-CG 3.24Å; R45-L49 PolarHBondContact O-N 3Å; R45-V57 HydrophobicContact CB-CG1 3.94Å; R45-V57 WeakPolarHBondContact CD-O 3.27Å; R45-V57 HydrophobicContact CG-CB 3.99Å; R45-V57 HydrophobicContact CG-CG1 3.74Å; R45-V57 PolarHBondContact NE-O 3.27Å; R45-I59 HydrophobicContact CB-CD1 3.85Å; R45-I59 HydrophobicContact CB-CG1 4.41Å; R45-I59 HydrophobicContact CG-CD1 4.39Å
46A98Very high96.5Very high60 Ų6069.1 Ų69.150%0.49638%0.38SS..Hα-helixtrans-59-44.5176.400000111.7E42 V44 L48 A50E42-A46 WeakPolarHBondContact O-CB 3.37Å; E42-A46 PolarHBondContact O-N 3.13Å; V44-A46 VanDerWaalsContact C-N 3.34Å; V44-A46 PolarHBondContact O-N 3.06Å; A46-L48 PolarHBondContact O-N 2.68Å; A46-A50 WeakPolarHBondContact O-CB 3.41Å; A46-A50 PolarHBondContact O-N 3.23Å
47S97.7Very high96.7Very high54 Ų5462.3 Ų62.338%0.37836%0.355SS..Hα-helixtrans-63.8-38176.2177.90000113.1A43 V44 R45 S51A43-S47 PolarHBondContact O-N 3.5Å; A43-S47 VanDerWaalsContact O-N 3.08Å; V44-S47 WeakPolarHBondContact O-CB 3.38Å; V44-S47 PolarHBondContact O-N 3.36Å; V44-S47 VanDerWaalsContact O-N 3.12Å; R45-S47 VanDerWaalsContact C-N 3.33Å; R45-S47 PolarHBondContact O-N 2.97Å; S47-S51 PolarHBondContact O-N 2.85Å
48L97.8Very high96.8Very high3 Ų359.6 Ų59.62%0.01634%0.341CS..Hα-helixtrans-69.7-46.6179.3-67.9174.7000111C19 K20 L23 L33 V44 R45 A46 A50 S51 H52 V57C19-L48 HydrophobicContact CB-CD1 3.87Å; C19-L48 HydrophobicContact CB-CD2 4.28Å; K20-L48 HydrophobicContact CB-CD2 4.48Å; K20-L48 HydrophobicContact CG-CD2 3.69Å; L23-L48 HydrophobicContact CD1-CB 3.94Å; L23-L48 HydrophobicContact CD1-CD1 4.31Å; L23-L48 HydrophobicContact CD1-CD2 4.17Å; L23-L48 HydrophobicContact CD1-CG 4.35Å; L33-L48 HydrophobicContact CD1-CD1 4.38Å; L33-L48 HydrophobicContact CD2-CD1 4.4Å; V44-L48 HydrophobicContact CG1-CD1 3.82Å; V44-L48 HydrophobicContact CG1-CG 4.16Å; V44-L48 WeakPolarHBondContact O-CG 3.43Å; V44-L48 PolarHBondContact O-N 3.38Å; R45-L48 PolarHBondContact O-N 2.94Å; A46-L48 PolarHBondContact O-N 2.68Å; L48-A50 VanDerWaalsContact C-N 3.28Å; L48-A50 PolarHBondContact O-N 3.03Å; L48-S51 CarbonylContact O-C 3.45Å; L48-S51 PolarHBondContact O-N 2.87Å; L48-S51 VanDerWaalsContact O-N 3.09Å; L48-H52 PolarHBondContact O-N 2.84Å; L48-V57 HydrophobicContact CB-CG2 4.39Å; L48-V57 HydrophobicContact CD1-CG1 4.45Å
49L97.7Very high97Very high44 Ų4454.4 Ų54.423%0.2332%0.321CS..Hα-helixtrans-67.7-27.4179.7-67.4173.5000112.8R45 S51 H52 P53 A55 V57R45-L49 HydrophobicContact CG-CD1 3.83Å; R45-L49 HydrophobicContact CG-CG 4.43Å; R45-L49 WeakPolarHBondContact O-CG 3.24Å; R45-L49 PolarHBondContact O-N 3Å; L49-S51 VanDerWaalsContact C-N 3.31Å; L49-H52 CarbonylContact O-C 3.53Å; L49-P53 WeakPolarHBondContact O-CA 3.03Å; L49-A55 VanDerWaalsContact CD2-O 3.27Å; L49-A55 WeakPolarHBondContact CD2-O 3.42Å; L49-V57 HydrophobicContact CD2-CB 4.29Å; L49-V57 HydrophobicContact CD2-CG2 3.88Å; L49-V57 HydrophobicContact CG-CB 4.4Å; L49-V57 HydrophobicContact CG-CG2 4.21Å
50A97Very high97.1Very high81 Ų8148.2 Ų48.267%0.66929%0.289SS*.Hα-helixtrans-66.4-33.3171.900000112.5A46 L48A46-A50 WeakPolarHBondContact O-CB 3.41Å; A46-A50 PolarHBondContact O-N 3.23Å; L48-A50 VanDerWaalsContact C-N 3.28Å; L48-A50 PolarHBondContact O-N 3.03Å
51S96.1Very high97.2Very high83 Ų8347 Ų4758%0.5829%0.285SS*.Hα-helixtrans-90.4-26.3177.4-60.60000113.3S47 L48 L49S47-S51 PolarHBondContact O-N 2.85Å; L48-S51 CarbonylContact O-C 3.45Å; L48-S51 PolarHBondContact O-N 2.87Å; L48-S51 VanDerWaalsContact O-N 3.09Å; L49-S51 VanDerWaalsContact C-N 3.31Å
52H96.5Very high97.2Very high38 Ų3847.2 Ų47.218%0.17629%0.286CS..  trans-135.378.7-176.8-54.9-84.2000110.2L23 L48 L49 T54 A55L23-H52 VanDerWaalsContact C-CE1 3.44Å; L23-H52 HydrophobicContact CB-CB 4.35Å; L23-H52 HydrophobicContact CD1-CB 4.21Å; L23-H52 PolarHBondContact O-CE1 2.7Å; L23-H52 PolarHBondContact O-ND1 2.71Å; L48-H52 PolarHBondContact O-N 2.84Å; L49-H52 CarbonylContact O-C 3.53Å; H52-T54 PolarHBondContact O-N 2.89Å; H52-A55 HydrophobicContact CB-CB 3.94Å; H52-A55 WeakPolarHBondContact O-CB 3.35Å; H52-A55 PolarHBondContact O-N 2.96Å
53P94.2Very high97.2Very high108 Ų10846 Ų4670%0.70128%0.281SS*.THydrogen-bonded Turntrans-66.1-20.4-173.5-23.235.2000114.9L49L49-P53 WeakPolarHBondContact O-CA 3.03Å
54T92.5Very high97.1Very high69 Ų6943.2 Ų43.242%0.42326%0.258SS..THydrogen-bonded Turntrans-83.1-22.2-179.744.50000113.3R2 D27 H52R2-T54 PolarHBondContact NH1-O 3.42Å; R2-T54 PolarHBondContact NH2-O 3.38Å; D27-T54 PolarHBondContact OD2-OG1 2.99Å; H52-T54 PolarHBondContact O-N 2.89Å
55A95.3Very high97Very high8 Ų843.4 Ų43.47%0.06626%0.26CS..SBendtrans-68.4149.1-177.100000111.9L23 D27 L49 H52L23-A55 HydrophobicContact CD1-CB 4.04Å; L23-A55 HydrophobicContact CD2-CB 3.61Å; L23-A55 HydrophobicContact CG-CB 4.44Å; D27-A55 WeakPolarHBondContact O-CA 3.46Å; D27-A55 WeakPolarHBondContact O-CB 3.36Å; D27-A55 PolarHBondContact O-N 2.83Å; L49-A55 VanDerWaalsContact CD2-O 3.27Å; L49-A55 WeakPolarHBondContact CD2-O 3.42Å; H52-A55 HydrophobicContact CB-CB 3.94Å; H52-A55 WeakPolarHBondContact O-CB 3.35Å; H52-A55 PolarHBondContact O-N 2.96Å
56E97.1Very high96.9Very high82 Ų8241.2 Ų41.238%0.38326%0.255SS..EExtended strand (participates in β ladder)trans-101.5123.1169.6-168172.516500109.9R2 L29 H30 L31R2-E56 IonicContact NH1-OE2 2.84Å; L29-E56 PolarHBondContact O-N 3.41Å; H30-E56 CarbonylContact C-O 3.55Å; H30-E56 VanDerWaalsContact CA-O 3.31Å; H30-E56 WeakPolarHBondContact CA-O 3.48Å; H30-E56 HydrophobicContact CB-CB 4.22Å; H30-E56 IonicContact CE1-OE1 2.89Å; H30-E56 PolarHBondContact CE1-OE1 3.01Å; H30-E56 IonicContact CE1-OE2 2.71Å; H30-E56 IonicContact ND1-OE1 2.65Å; H30-E56 IonicContact ND1-OE2 2.7Å; H30-E56 IonicContact NE2-OE1 3.22Å; H30-E56 PolarHBondContact NE2-OE1 3.32Å; L31-E56 PolarHBondContact N-O 3.1Å
57V97.9Very high96.8Very high7 Ų738.4 Ų38.44%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-124.1112.9-179.8-1750000109.5L23 L31 L33 R45 L48 L49L23-V57 HydrophobicContact CD1-CG2 4.39Å; L31-V57 CarbonylContact O-C 3.32Å; L31-V57 WeakPolarHBondContact O-CA 3.4Å; L33-V57 HydrophobicContact CD1-CG1 3.65Å; L33-V57 HydrophobicContact CD2-CG1 4.33Å; L33-V57 HydrophobicContact CG-CG1 3.79Å; R45-V57 HydrophobicContact CB-CG1 3.94Å; R45-V57 WeakPolarHBondContact CD-O 3.27Å; R45-V57 HydrophobicContact CG-CB 3.99Å; R45-V57 HydrophobicContact CG-CG1 3.74Å; R45-V57 PolarHBondContact NE-O 3.27Å; L48-V57 HydrophobicContact CB-CG2 4.39Å; L48-V57 HydrophobicContact CD1-CG1 4.45Å; L49-V57 HydrophobicContact CD2-CB 4.29Å; L49-V57 HydrophobicContact CD2-CG2 3.88Å; L49-V57 HydrophobicContact CG-CB 4.4Å; L49-V57 HydrophobicContact CG-CG2 4.21Å
58T98.1Very high96.7Very high10 Ų1038.7 Ų38.76%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-105.1142.8176.5-83.20000110H30 L31 C32 L33 V60 R80 F81H30-T58 PolarHBondContact NE2-OG1 3.08Å; L31-T58 PolarHBondContact O-N 2.96Å; C32-T58 CarbonylContact C-O 3.33Å; C32-T58 WeakPolarHBondContact CA-O 3.44Å; C32-T58 HydrophobicContact CB-CG2 4.5Å; L33-T58 PolarHBondContact N-O 3.31Å; T58-V60 HydrophobicContact CG2-CG2 4.27Å; T58-R80 PolarHBondContact OG1-NH2 3.27Å; T58-R80 VanDerWaalsContact OG1-NH2 3.16Å; T58-F81 HydrophobicContact CG2-CE2 4.18Å; T58-F81 HydrophobicContact CG2-CZ 3.77Å
59I98.6Very high96.6Very high8 Ų839.1 Ų39.14%0.04123%0.23CC..EExtended strand (participates in β ladder)trans-110.5135.7171.8-64.6160.6000108.6L33 A41 E42 R45 R80L33-I59 HydrophobicContact CB-CG1 4.22Å; L33-I59 HydrophobicContact CD1-CG1 4.22Å; A41-I59 HydrophobicContact CB-CD1 4.05Å; A41-I59 HydrophobicContact CB-CG1 4.12Å; A41-I59 HydrophobicContact CB-CG2 3.81Å; E42-I59 HydrophobicContact CB-CD1 4.33Å; E42-I59 HydrophobicContact CG-CD1 3.86Å; E42-I59 VanDerWaalsContact OE2-CD1 3.26Å; E42-I59 WeakPolarHBondContact OE2-CD1 3.49Å; R45-I59 HydrophobicContact CB-CD1 3.85Å; R45-I59 HydrophobicContact CB-CG1 4.41Å; R45-I59 HydrophobicContact CG-CD1 4.39Å; I59-R80 PolarHBondContact O-NH1 2.86Å
60V98.5Very high96.7Very high0 Ų037 Ų370%022%0.219CC..EExtended strand (participates in β ladder)trans-123.8126.9167.8173.20000107.8L33 A34 C35 T58 V62 A73 L77L33-V60 PolarHBondContact O-N 3.39Å; A34-V60 WeakPolarHBondContact CA-O 3.48Å; C35-V60 PolarHBondContact N-O 3.11Å; T58-V60 HydrophobicContact CG2-CG2 4.27Å; V60-V62 PolarHBondContact O-N 3.3Å; V60-A73 HydrophobicContact CG1-CB 3.84Å; V60-L77 HydrophobicContact CB-CD2 4.46Å; V60-L77 HydrophobicContact CG1-CG 4.27Å; V60-L77 HydrophobicContact CG2-CD2 3.79Å; V60-L77 HydrophobicContact CG2-CG 4.28Å
61Q98.4Very high96.7Very high97 Ų9734.8 Ų34.845%0.45320%0.195SC..EExtended strand (participates in β ladder)trans-81.1120178.6-175.7174.2-1600109.7C35C35-Q61 WeakPolarHBondContact O-CA 3.17Å
62V98.1Very high96.7Very high5 Ų538.7 Ų38.73%0.0320%0.197CC..  trans-146.7125.9176.564.20000110.9A34 C35 R36 V60 I64 V70 A73A34-V62 HydrophobicContact CB-CG1 3.65Å; C35-V62 CarbonylContact C-O 3.15Å; C35-V62 PolarHBondContact O-N 3.22Å; R36-V62 WeakPolarHBondContact CA-O 3.26Å; R36-V62 PolarHBondContact N-O 3.29Å; V60-V62 PolarHBondContact O-N 3.3Å; V62-I64 HydrophobicContact CG1-CD1 4.24Å; V62-I64 HydrophobicContact CG2-CD1 3.84Å; V62-V70 HydrophobicContact CG2-CG2 4.18Å; V62-A73 HydrophobicContact CB-CB 3.65Å; V62-A73 HydrophobicContact CG2-CB 3.71Å
63D97.4Very high96.8Very high38 Ų3837 Ų3720%0.20319%0.189CC..  trans-96.1116.2161.1-163.5-5.2000108.9R36 S65 N66 S69R36-D63 HydrophobicContact CB-CB 4.43Å; R36-D63 WeakPolarHBondContact CD-OD1 3.29Å; R36-D63 WeakPolarHBondContact CD-OD2 3.41Å; R36-D63 HydrophobicContact CG-CB 3.96Å; R36-D63 IonicContact NH1-OD1 3.29Å; R36-D63 IonicContact NH1-OD2 3.61Å; D63-S65 PolarHBondContact O-N 3.44Å; D63-S65 PolarHBondContact OD1-N 3.14Å; D63-S65 PolarHBondContact OD1-OG 2.92Å; D63-S65 VanDerWaalsContact OD1-OG 3.1Å; D63-N66 HydrophobicContact CB-CB 4.2Å; D63-N66 PolarHBondContact O-N 3.47Å; D63-S69 PolarHBondContact N-OG 3.17Å
64I96.8Very high97Very high7 Ų731.9 Ų31.94%0.03616%0.156CC..THydrogen-bonded Turntrans-72.9-21.5-177.1-57.9-66.8000111.1T8 V62 N66 A91 T141 L149T8-I64 HydrophobicContact CG2-CD1 4.23Å; V62-I64 HydrophobicContact CG1-CD1 4.24Å; V62-I64 HydrophobicContact CG2-CD1 3.84Å; I64-N66 PolarHBondContact O-N 3.16Å; I64-A91 HydrophobicContact CG1-CB 4.03Å; I64-T141 WeakPolarHBondContact CG2-O 3.2Å; I64-L149 HydrophobicContact CD1-CD2 4.18Å
65S94.8Very high97.3Very high17 Ų1735 Ų3512%0.11916%0.164CC..THydrogen-bonded Turntrans-86.621.2175.877.50000113.3D63 T141D63-S65 PolarHBondContact O-N 3.44Å; D63-S65 PolarHBondContact OD1-N 3.14Å; D63-S65 PolarHBondContact OD1-OG 2.92Å; D63-S65 VanDerWaalsContact OD1-OG 3.1Å; S65-T141 WeakPolarHBondContact CB-OG1 3.34Å
66N96Very high97.5Very high47 Ų4737.4 Ų37.425%0.25117%0.173SC..  trans-149.1107.1179.3-177.7-66.9000109.3D63 I64 Q68 S69 V70 D133 E140D63-N66 HydrophobicContact CB-CB 4.2Å; D63-N66 PolarHBondContact O-N 3.47Å; I64-N66 PolarHBondContact O-N 3.16Å; N66-Q68 VanDerWaalsContact C-N 3.32Å; N66-Q68 PolarHBondContact O-N 3.2Å; N66-Q68 WeakPolarHBondContact OD1-CB 3.39Å; N66-Q68 PolarHBondContact OD1-N 2.73Å; N66-S69 WeakPolarHBondContact O-CA 3.39Å; N66-S69 VanDerWaalsContact O-CB 3.24Å; N66-S69 WeakPolarHBondContact O-CB 3.32Å; N66-S69 PolarHBondContact O-N 3.27Å; N66-S69 PolarHBondContact OD1-N 3.29Å; N66-V70 PolarHBondContact O-N 3.01Å; N66-D133 WeakPolarHBondContact CA-OD2 3.46Å; N66-E140 PolarHBondContact N-OE1 3.05Å
67L96.2Very high97.5Very high0 Ų033.6 Ų33.60%016%0.155CC..Hα-helixtrans-66.6-33-171.5-63.1176.2000112.9S69 V70 F71 D133 L135 F144 I148 I323 I327L67-S69 VanDerWaalsContact C-N 3.29Å; L67-S69 PolarHBondContact O-N 3.22Å; L67-V70 WeakPolarHBondContact O-CB 3.47Å; L67-V70 PolarHBondContact O-N 2.76Å; L67-V70 VanDerWaalsContact O-N 3.1Å; L67-F71 HydrophobicContact CB-CE2 4.14Å; L67-F71 WeakPolarHBondContact O-CD2 3.31Å; L67-F71 WeakPolarHBondContact O-CG 3.36Å; L67-F71 PolarHBondContact O-N 2.65Å; L67-D133 HydrophobicContact CD1-CB 4.05Å; L67-D133 HydrophobicContact CG-CB 4.36Å; L67-D133 PolarHBondContact N-OD2 3.08Å; L67-L135 HydrophobicContact CD1-CD1 4.47Å; L67-F144 HydrophobicContact CD1-CD1 4.11Å; L67-F144 HydrophobicContact CD1-CE1 3.74Å; L67-F144 HydrophobicContact CD2-CD1 4.13Å; L67-F144 HydrophobicContact CD2-CE1 4.3Å; L67-I148 HydrophobicContact CD2-CB 4.35Å; L67-I148 HydrophobicContact CD2-CG1 4.05Å; L67-I323 HydrophobicContact CD1-CG2 3.51Å; L67-I327 HydrophobicContact CB-CD1 4.33Å
68Q95.1Very high97.5Very high60 Ų6037.1 Ų37.128%0.2817%0.17SC..Hα-helixtrans-62.3-35.7170.9-73.8-72.62.100112.5N66 R72N66-Q68 VanDerWaalsContact C-N 3.32Å; N66-Q68 PolarHBondContact O-N 3.2Å; N66-Q68 WeakPolarHBondContact OD1-CB 3.39Å; N66-Q68 PolarHBondContact OD1-N 2.73Å; Q68-R72 VanDerWaalsContact O-CG 3.32Å; Q68-R72 WeakPolarHBondContact O-CG 3.18Å; Q68-R72 PolarHBondContact O-N 2.8Å; Q68-R72 PolarHBondContact O-NE 3.27Å
69S97.2Very high97.5Very high12 Ų1243.6 Ų43.68%0.08420%0.2CC..Hα-helixtrans-67.1-40.3171.1-1690000111.6D63 N66 L67 A73D63-S69 PolarHBondContact N-OG 3.17Å; N66-S69 WeakPolarHBondContact O-CA 3.39Å; N66-S69 VanDerWaalsContact O-CB 3.24Å; N66-S69 WeakPolarHBondContact O-CB 3.32Å; N66-S69 PolarHBondContact O-N 3.27Å; N66-S69 PolarHBondContact OD1-N 3.29Å; L67-S69 VanDerWaalsContact C-N 3.29Å; L67-S69 PolarHBondContact O-N 3.22Å; S69-A73 WeakPolarHBondContact O-CB 3.37Å; S69-A73 PolarHBondContact O-N 3.13Å
70V98.2Very high97.5Very high0 Ų048.5 Ų48.50%022%0.218CC..Hα-helixtrans-62.4-48.8177.1177.20000110.7V62 N66 L67 R72 A73 S74 I148 L149V62-V70 HydrophobicContact CG2-CG2 4.18Å; N66-V70 PolarHBondContact O-N 3.01Å; L67-V70 WeakPolarHBondContact O-CB 3.47Å; L67-V70 PolarHBondContact O-N 2.76Å; L67-V70 VanDerWaalsContact O-N 3.1Å; V70-R72 PolarHBondContact O-N 2.89Å; V70-A73 PolarHBondContact O-N 2.73Å; V70-S74 PolarHBondContact O-N 2.85Å; V70-S74 PolarHBondContact O-OG 3.19Å; V70-I148 HydrophobicContact CG1-CB 4.37Å; V70-I148 HydrophobicContact CG1-CG2 3.95Å; V70-L149 HydrophobicContact CG1-CB 3.92Å; V70-L149 HydrophobicContact CG1-CD1 4.28Å
71F97.2Very high97.4Very high35 Ų3549.1 Ų49.115%0.15422%0.221CC..Hα-helixtrans-60.8-42.9179-67.7-53.2000112.9L67 S74 K75 I148 E152 R324 I327L67-F71 HydrophobicContact CB-CE2 4.14Å; L67-F71 WeakPolarHBondContact O-CD2 3.31Å; L67-F71 WeakPolarHBondContact O-CG 3.36Å; L67-F71 PolarHBondContact O-N 2.65Å; F71-S74 PolarHBondContact O-N 3.24Å; F71-K75 PolarHBondContact O-N 3.42Å; F71-I148 HydrophobicContact CD1-CG2 4.2Å; F71-I148 HydrophobicContact CE1-CG2 3.45Å; F71-I148 VanDerWaalsContact CE1-CG2 3.45Å; F71-I148 HydrophobicContact CZ-CG2 3.73Å; F71-E152 HydrophobicContact CD1-CG 3.92Å; F71-E152 HydrophobicContact CE1-CG 4.04Å; F71-R324 VanDerWaalsContact CE1-NH1 3.25Å; F71-R324 HydrophobicContact CZ-CG 4.46Å; F71-I327 HydrophobicContact CD2-CD1 4.35Å; F71-I327 HydrophobicContact CE2-CD1 3.69Å
72R97.7Very high97.2Very high165 Ų16551.7 Ų51.762%0.62323%0.233SC*.Hα-helixtrans-61.9-45.9175.4-73.7-176.4-65.2164-0.5111.8Q68 V70 S74 K75 E76Q68-R72 VanDerWaalsContact O-CG 3.32Å; Q68-R72 WeakPolarHBondContact O-CG 3.18Å; Q68-R72 PolarHBondContact O-N 2.8Å; Q68-R72 PolarHBondContact O-NE 3.27Å; V70-R72 PolarHBondContact O-N 2.89Å; R72-S74 PolarHBondContact O-N 2.99Å; R72-K75 PolarHBondContact O-N 3.03Å; R72-E76 PolarHBondContact O-N 3.23Å
73A98.4Very high97.1Very high2 Ų254.3 Ų54.32%0.01724%0.242CC..Hα-helixtrans-62.3-42.3177.300000111.9V60 V62 S69 V70 K75 E76 L77V60-A73 HydrophobicContact CG1-CB 3.84Å; V62-A73 HydrophobicContact CB-CB 3.65Å; V62-A73 HydrophobicContact CG2-CB 3.71Å; S69-A73 WeakPolarHBondContact O-CB 3.37Å; S69-A73 PolarHBondContact O-N 3.13Å; V70-A73 PolarHBondContact O-N 2.73Å; A73-K75 VanDerWaalsContact C-N 3.34Å; A73-K75 PolarHBondContact O-N 2.89Å; A73-E76 PolarHBondContact O-N 3.24Å; A73-L77 WeakPolarHBondContact O-CB 3.43Å; A73-L77 VanDerWaalsContact O-CG 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.3Å; A73-L77 PolarHBondContact O-N 2.89Å
74S98.4Very high97.1Very high0 Ų052.5 Ų52.50%023%0.232CC..Hα-helixtrans-63.7-38.3176.8-60.70000112.7V70 F71 R72 L77 K78 L149 E152V70-S74 PolarHBondContact O-N 2.85Å; V70-S74 PolarHBondContact O-OG 3.19Å; F71-S74 PolarHBondContact O-N 3.24Å; R72-S74 PolarHBondContact O-N 2.99Å; S74-L77 PolarHBondContact O-N 3.4Å; S74-K78 WeakPolarHBondContact O-CB 3.44Å; S74-K78 WeakPolarHBondContact O-CE 3.4Å; S74-K78 WeakPolarHBondContact O-CG 3.4Å; S74-K78 PolarHBondContact O-N 3.45Å; S74-L149 WeakPolarHBondContact OG-CD1 3.11Å; S74-E152 WeakPolarHBondContact OG-CB 3.47Å
75K98.3Very high97.1Very high136 Ų13653.1 Ų53.159%0.59124%0.235SC*.Hα-helixtrans-63-45.2173.5-174.4179.4179.91800111.2F71 R72 A73 K78 Q79F71-K75 PolarHBondContact O-N 3.42Å; R72-K75 PolarHBondContact O-N 3.03Å; A73-K75 VanDerWaalsContact C-N 3.34Å; A73-K75 PolarHBondContact O-N 2.89Å; K75-K78 PolarHBondContact O-N 2.75Å; K75-Q79 VanDerWaalsContact O-CG 3.32Å; K75-Q79 WeakPolarHBondContact O-CG 3.37Å; K75-Q79 PolarHBondContact O-N 2.8Å
76E98.4Very high97.3Very high57 Ų5752.3 Ų52.327%0.26623%0.23SC..Hα-helixtrans-60.8-46.8175.8-174.3-173.4154.500111.2R72 A73 K78 Q79 R80R72-E76 PolarHBondContact O-N 3.23Å; A73-E76 PolarHBondContact O-N 3.24Å; E76-K78 PolarHBondContact O-N 2.83Å; E76-Q79 WeakPolarHBondContact O-CB 3.47Å; E76-Q79 PolarHBondContact O-N 2.88Å; E76-Q79 VanDerWaalsContact O-N 3.08Å; E76-R80 HydrophobicContact CG-CG 4.26Å; E76-R80 VanDerWaalsContact O-CG 3.29Å; E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 3.47Å; E76-R80 WeakPolarHBondContact OE1-CD 3.21Å; E76-R80 IonicContact OE1-CZ 3.8Å; E76-R80 IonicContact OE1-NH1 3.57Å; E76-R80 PolarHBondContact OE1-NH1 3.42Å
77L98.6Very high97.4Very high2 Ų250.1 Ų50.11%0.0122%0.218CC..Hα-helixtrans-58.2-45.5178.5-74.3166000111.8L6 V60 A73 S74 Q79 R80 F81 L149 L153 L156L6-L77 HydrophobicContact CD1-CD1 4.45Å; L6-L77 HydrophobicContact CD1-CD2 3.92Å; L6-L77 HydrophobicContact CD2-CD1 4.04Å; V60-L77 HydrophobicContact CB-CD2 4.46Å; V60-L77 HydrophobicContact CG1-CG 4.27Å; V60-L77 HydrophobicContact CG2-CD2 3.79Å; V60-L77 HydrophobicContact CG2-CG 4.28Å; A73-L77 WeakPolarHBondContact O-CB 3.43Å; A73-L77 VanDerWaalsContact O-CG 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.3Å; A73-L77 PolarHBondContact O-N 2.89Å; S74-L77 PolarHBondContact O-N 3.4Å; L77-Q79 PolarHBondContact O-N 3.1Å; L77-R80 PolarHBondContact O-N 3.43Å; L77-R80 VanDerWaalsContact O-N 3.17Å; L77-F81 HydrophobicContact CD2-CD2 3.79Å; L77-F81 HydrophobicContact CD2-CE2 3.69Å; L77-F81 WeakPolarHBondContact O-CD2 3.37Å; L77-F81 PolarHBondContact O-N 3.04Å; L77-L149 HydrophobicContact CD1-CD1 4.24Å; L77-L153 HydrophobicContact CB-CD2 3.72Å; L77-L153 HydrophobicContact CD1-CD1 3.84Å; L77-L153 HydrophobicContact CD1-CD2 3.9Å; L77-L153 HydrophobicContact CD1-CG 4.46Å; L77-L153 HydrophobicContact CG-CD2 4.46Å; L77-L156 HydrophobicContact CB-CD1 4.49Å
78K98.2Very high97.5Very high81 Ų8150.1 Ų50.135%0.35222%0.218SC..Hα-helixtrans-63.5-25.3176.4-75.4-175.3-76.3-152.70114S74 K75 E76 E152 L153 L156S74-K78 WeakPolarHBondContact O-CB 3.44Å; S74-K78 WeakPolarHBondContact O-CE 3.4Å; S74-K78 WeakPolarHBondContact O-CG 3.4Å; S74-K78 PolarHBondContact O-N 3.45Å; K75-K78 PolarHBondContact O-N 2.75Å; E76-K78 PolarHBondContact O-N 2.83Å; K78-E152 WeakPolarHBondContact CD-O 3.4Å; K78-E152 PolarHBondContact NZ-O 2.92Å; K78-E152 IonicContact NZ-OE2 2.83Å; K78-E152 PolarHBondContact NZ-OE2 3.32Å; K78-L153 HydrophobicContact CG-CD2 4.45Å; K78-L156 HydrophobicContact CG-CD1 4.05Å; K78-L156 HydrophobicContact CG-CD2 4.44Å; K78-L156 HydrophobicContact CG-CG 4.16Å
79Q97.7Very high97.7Very high146 Ų14647.5 Ų47.568%0.68221%0.206SC*.Hα-helixtrans-82.7-31.4175.5-71.1172.8-18.400112.4K75 E76 L77K75-Q79 VanDerWaalsContact O-CG 3.32Å; K75-Q79 WeakPolarHBondContact O-CG 3.37Å; K75-Q79 PolarHBondContact O-N 2.8Å; E76-Q79 WeakPolarHBondContact O-CB 3.47Å; E76-Q79 PolarHBondContact O-N 2.88Å; E76-Q79 VanDerWaalsContact O-N 3.08Å; L77-Q79 PolarHBondContact O-N 3.1Å
80R97.2Very high97.7Very high112 Ų11247.9 Ų47.942%0.42321%0.207SC..Hα-helixtrans-92.9-26.6-172.2-67.2-178.672.2174.82.9113.7T58 I59 E76 L77T58-R80 PolarHBondContact OG1-NH2 3.27Å; T58-R80 VanDerWaalsContact OG1-NH2 3.16Å; I59-R80 PolarHBondContact O-NH1 2.86Å; E76-R80 HydrophobicContact CG-CG 4.26Å; E76-R80 VanDerWaalsContact O-CG 3.29Å; E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 3.47Å; E76-R80 WeakPolarHBondContact OE1-CD 3.21Å; E76-R80 IonicContact OE1-CZ 3.8Å; E76-R80 IonicContact OE1-NH1 3.57Å; E76-R80 PolarHBondContact OE1-NH1 3.42Å; L77-R80 PolarHBondContact O-N 3.43Å; L77-R80 VanDerWaalsContact O-N 3.17Å
81F96.9Very high97.5Very high13 Ų1348.7 Ų48.76%0.05721%0.214CC..  trans-125.3139.6-173.4-60.3-77.7000110.9V4 H30 C32 T58 L77 L84 L156V4-F81 HydrophobicContact CG1-CD1 3.6Å; V4-F81 HydrophobicContact CG1-CE1 3.5Å; V4-F81 HydrophobicContact CG1-CG 4.43Å; V4-F81 HydrophobicContact CG1-CZ 4.31Å; V4-F81 HydrophobicContact CG2-CD1 4.2Å; V4-F81 HydrophobicContact CG2-CE1 4.5Å; H30-F81 AromaticContact CE1-CE1 3.37Å; H30-F81 WeakPolarHBondContact CE1-CE1 3.44Å; H30-F81 AromaticContact ND1-CE1 3.73Å; H30-F81 AromaticContact NE2-CE1 3.62Å; H30-F81 AromaticContact NE2-CZ 3.92Å; C32-F81 HydrophobicContact CB-CE2 4.32Å; C32-F81 HydrophobicContact CB-CZ 3.92Å; T58-F81 HydrophobicContact CG2-CE2 4.18Å; T58-F81 HydrophobicContact CG2-CZ 3.77Å; L77-F81 HydrophobicContact CD2-CD2 3.79Å; L77-F81 HydrophobicContact CD2-CE2 3.69Å; L77-F81 WeakPolarHBondContact O-CD2 3.37Å; L77-F81 PolarHBondContact O-N 3.04Å; F81-L84 HydrophobicContact CB-CD2 4.27Å; F81-L84 HydrophobicContact CD1-CD2 4.49Å; F81-L84 HydrophobicContact CD2-CD2 4.39Å; F81-L84 HydrophobicContact CG-CD2 4.14Å; F81-L156 HydrophobicContact CB-CD1 4.39Å; F81-L156 VanDerWaalsContact O-CD2 3.31Å; F81-L156 WeakPolarHBondContact O-CD2 3.44Å
82Q94.7Very high97.3Very high151 Ų15148.2 Ų48.271%0.70622%0.218SC*.SBendtrans-85.7-27.8171-65.7-178.7-4.600112.1
83R95.9Very high96.9Very high60 Ų6042.1 Ų42.123%0.22620%0.198CC..  trans-152.1156.3-178.265.8-176.8-78.9131.11.9110.6D85 L156 S162R83-D85 IonicContact CZ-OD1 3.94Å; R83-D85 VanDerWaalsContact CZ-OD1 3.23Å; R83-D85 IonicContact NE-OD1 3.69Å; R83-D85 PolarHBondContact NE-OD1 3.15Å; R83-D85 IonicContact NE-OD2 3.79Å; R83-D85 IonicContact NH2-OD1 2.63Å; R83-D85 PolarHBondContact NH2-OD1 3.45Å; R83-L156 CarbonylContact C-O 3.59Å; R83-L156 WeakPolarHBondContact CA-O 3.36Å; R83-S162 PolarHBondContact NH1-OG 3.28Å; R83-S162 PolarHBondContact NH2-OG 2.87Å
84L97.6Very high96.3Very high0 Ų043.1 Ų43.10%020%0.203CC..  trans-127.4115.1169.7-66.4175.6000108.9V4 L6 F81 I87 L153 L156 L157 S164V4-L84 HydrophobicContact CB-CD2 4.29Å; V4-L84 HydrophobicContact CG1-CD2 3.58Å; L6-L84 HydrophobicContact CB-CD2 4.46Å; L6-L84 HydrophobicContact CD2-CD1 4.21Å; F81-L84 HydrophobicContact CB-CD2 4.27Å; F81-L84 HydrophobicContact CD1-CD2 4.49Å; F81-L84 HydrophobicContact CD2-CD2 4.39Å; F81-L84 HydrophobicContact CG-CD2 4.14Å; L84-I87 HydrophobicContact CB-CD1 4.27Å; L84-I87 HydrophobicContact CB-CG1 4.27Å; L84-I87 HydrophobicContact CD1-CD1 3.69Å; L84-I87 HydrophobicContact CD1-CG1 4.34Å; L84-L153 HydrophobicContact CD1-CD1 3.95Å; L84-L156 HydrophobicContact CD1-CB 4.29Å; L84-L156 HydrophobicContact CD1-CD1 4.06Å; L84-L156 HydrophobicContact CG-CB 4.16Å; L84-L156 HydrophobicContact CG-CD1 4.22Å; L84-L156 PolarHBondContact N-O 3.03Å; L84-L157 HydrophobicContact CB-CD2 4.16Å; L84-S164 WeakPolarHBondContact O-CB 3.22Å; L84-S164 PolarHBondContact O-OG 3.12Å; L84-S164 VanDerWaalsContact O-OG 3.13Å
85D97.4Very high95.1Very high19 Ų1944 Ų4410%0.10221%0.209CC..SBendtrans-79-35.7-175.5-60.3-90.5000112.8K3 V4 R83 S164 Q165K3-D85 WeakPolarHBondContact CA-OD2 3.3Å; K3-D85 HydrophobicContact CD-CB 4.33Å; K3-D85 HydrophobicContact CG-CB 3.43Å; K3-D85 VanDerWaalsContact CG-CB 3.43Å; V4-D85 PolarHBondContact N-OD2 3.1Å; V4-D85 PolarHBondContact O-N 3.46Å; R83-D85 IonicContact CZ-OD1 3.94Å; R83-D85 VanDerWaalsContact CZ-OD1 3.23Å; R83-D85 IonicContact NE-OD1 3.69Å; R83-D85 PolarHBondContact NE-OD1 3.15Å; R83-D85 IonicContact NE-OD2 3.79Å; R83-D85 IonicContact NH2-OD1 2.63Å; R83-D85 PolarHBondContact NH2-OD1 3.45Å; D85-S164 WeakPolarHBondContact O-CA 3.45Å; D85-Q165 PolarHBondContact O-N 3.18Å
86C97.9Very high93.4Very high0 Ų041.9 Ų41.90%020%0.204CC..EExtended strand (participates in β ladder)trans-144.6134.6-179.8-172.20000110.8V4 V5 L6 Y88 Q165V4-C86 PolarHBondContact O-N 3.47Å; V5-C86 CarbonylContact C-O 3.56Å; V5-C86 WeakPolarHBondContact CA-O 3.49Å; V5-C86 HydrophobicContact CG1-CB 4.19Å; V5-C86 HydrophobicContact CG2-CB 4.24Å; L6-C86 PolarHBondContact N-O 3.27Å; C86-Y88 WeakPolarHBondContact SG-CE2 3.33Å; C86-Q165 CarbonylContact C-O 3.57Å; C86-Q165 WeakPolarHBondContact CA-O 3.46Å
87I98.4Very high91.9Very high2 Ų240.7 Ų40.71%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-124120175-52.9-170.7000110.1L6 L84 L89 L153 L157 Q165 L166 I167L6-I87 HydrophobicContact CB-CB 4.47Å; L6-I87 HydrophobicContact CB-CG1 4.08Å; L6-I87 HydrophobicContact CB-CG2 4.22Å; L6-I87 HydrophobicContact CD2-CD1 4.06Å; L6-I87 HydrophobicContact CD2-CG1 4.37Å; L6-I87 HydrophobicContact CD2-CG2 3.97Å; L6-I87 HydrophobicContact CG-CG2 4.31Å; L6-I87 CarbonylContact O-C 3.55Å; L6-I87 WeakPolarHBondContact O-CA 3Å; L84-I87 HydrophobicContact CB-CD1 4.27Å; L84-I87 HydrophobicContact CB-CG1 4.27Å; L84-I87 HydrophobicContact CD1-CD1 3.69Å; L84-I87 HydrophobicContact CD1-CG1 4.34Å; I87-L89 HydrophobicContact CG2-CD2 3.78Å; I87-L89 HydrophobicContact CG2-CG 4.24Å; I87-L153 HydrophobicContact CD1-CD1 4.11Å; I87-L157 HydrophobicContact CD1-CD1 3.8Å; I87-L157 HydrophobicContact CD1-CD2 3.45Å; I87-L157 VanDerWaalsContact CD1-CD2 3.45Å; I87-L157 HydrophobicContact CD1-CG 3.91Å; I87-L157 HydrophobicContact CG1-CD2 3.84Å; I87-Q165 PolarHBondContact N-O 2.95Å; I87-L166 HydrophobicContact CB-CD2 3.93Å; I87-L166 HydrophobicContact CD1-CD2 4.26Å; I87-L166 HydrophobicContact CG1-CD2 4.3Å; I87-I167 PolarHBondContact O-N 3.44Å
88Y98.7Very high90.2Very high0 Ų046.7 Ų46.70%023%0.229CC..EExtended strand (participates in β ladder)trans-94.7111.2171.4-69-88.5000110.9V5 L6 I7 T8 L18 L22 C86 N90 I167 L268 F272V5-Y88 HydrophobicContact CG1-CD2 3.67Å; V5-Y88 HydrophobicContact CG1-CE2 3.64Å; L6-Y88 PolarHBondContact O-N 3.2Å; I7-Y88 HydrophobicContact CD1-CD2 4.45Å; I7-Y88 HydrophobicContact CG1-CD2 3.84Å; I7-Y88 HydrophobicContact CG1-CG 4.32Å; T8-Y88 PolarHBondContact N-O 3.4Å; T8-Y88 PolarHBondContact OG1-O 2.9Å; L18-Y88 HydrophobicContact CD1-CE1 4.31Å; L18-Y88 HydrophobicContact CD2-CD1 3.43Å; L18-Y88 VanDerWaalsContact CD2-CD1 3.43Å; L18-Y88 HydrophobicContact CD2-CD2 3.76Å; L18-Y88 HydrophobicContact CD2-CE1 3.63Å; L18-Y88 HydrophobicContact CD2-CE2 3.96Å; L18-Y88 HydrophobicContact CD2-CG 3.46Å; L18-Y88 VanDerWaalsContact CD2-CG 3.46Å; L22-Y88 HydrophobicContact CD1-CE2 3.87Å; C86-Y88 WeakPolarHBondContact SG-CE2 3.33Å; Y88-N90 VanDerWaalsContact C-N 3.29Å; Y88-N90 PolarHBondContact O-N 3.34Å; Y88-N90 VanDerWaalsContact O-N 3.13Å; Y88-I167 HydrophobicContact CD1-CB 3.7Å; Y88-I167 HydrophobicContact CD1-CD1 4.03Å; Y88-I167 HydrophobicContact CD1-CG1 4.43Å; Y88-I167 HydrophobicContact CD1-CG2 3.74Å; Y88-I167 HydrophobicContact CE1-CB 3.89Å; Y88-I167 HydrophobicContact CE1-CD1 3.35Å; Y88-I167 HydrophobicContact CE1-CG1 4.2Å; Y88-I167 HydrophobicContact CE1-CG2 3.8Å; Y88-I167 HydrophobicContact CE2-CD1 4.33Å; Y88-I167 HydrophobicContact CG-CB 4.45Å; Y88-L268 HydrophobicContact CD1-CD2 3.79Å; Y88-L268 HydrophobicContact CE1-CB 3.91Å; Y88-L268 HydrophobicContact CE1-CD2 3.79Å; Y88-L268 HydrophobicContact CE1-CG 4.43Å; Y88-L268 PolarHBondContact OH-O 2.97Å; Y88-F272 WeakPolarHBondContact OH-CB 3.31Å
89L98.4Very high88.6Confident4 Ų445.1 Ų45.12%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-89.673.1177-53.4164.7000107.5T8 I87 H146 I150 I167 W168 T169T8-L89 WeakPolarHBondContact OG1-CA 3.39Å; I87-L89 HydrophobicContact CG2-CD2 3.78Å; I87-L89 HydrophobicContact CG2-CG 4.24Å; L89-H146 HydrophobicContact CD2-CB 4.15Å; L89-H146 VanDerWaalsContact CD2-CD2 3.49Å; L89-H146 WeakPolarHBondContact CD2-CD2 3.4Å; L89-I150 HydrophobicContact CD1-CD1 3.54Å; L89-I150 HydrophobicContact CD1-CG1 4.21Å; L89-I150 HydrophobicContact CD2-CD1 4.27Å; L89-I150 HydrophobicContact CD2-CG1 4.22Å; L89-I167 PolarHBondContact N-O 3Å; L89-W168 HydrophobicContact CB-CD2 4.17Å; L89-W168 HydrophobicContact CB-CE3 3.95Å; L89-W168 HydrophobicContact CB-CZ3 4.33Å; L89-W168 HydrophobicContact CD1-CD2 3.45Å; L89-W168 VanDerWaalsContact CD1-CD2 3.45Å; L89-W168 HydrophobicContact CD1-CE3 3.85Å; L89-W168 HydrophobicContact CD1-CG 3.98Å; L89-W168 HydrophobicContact CD1-CH2 3.87Å; L89-W168 HydrophobicContact CD1-CZ2 3.48Å; L89-W168 VanDerWaalsContact CD1-CZ2 3.48Å; L89-W168 HydrophobicContact CD1-CZ3 4.04Å; L89-W168 HydrophobicContact CG-CD2 4.47Å; L89-T169 PolarHBondContact O-N 3.19Å
90N97.1Very high87.2Confident21 Ų2141.2 Ų41.211%0.11221%0.208CC..  trans-104.4-25.3-171.7161.187.6000113.6T8 G9 I14 G15 Y88 G92 T169T8-N90 WeakPolarHBondContact O-CB 3.47Å; T8-N90 PolarHBondContact O-ND2 3.35Å; T8-N90 PolarHBondContact OG1-N 3.46Å; G9-N90 PolarHBondContact O-ND2 3.22Å; I14-N90 WeakPolarHBondContact CG2-OD1 3.38Å; G15-N90 WeakPolarHBondContact CA-ND2 3.29Å; Y88-N90 VanDerWaalsContact C-N 3.29Å; Y88-N90 PolarHBondContact O-N 3.34Å; Y88-N90 VanDerWaalsContact O-N 3.13Å; N90-G92 PolarHBondContact O-N 3.37Å; N90-T169 WeakPolarHBondContact CA-OG1 3.5Å; N90-T169 WeakPolarHBondContact CB-OG1 3.48Å
91A94.2Very high85.7Confident16 Ų1641.9 Ų41.913%0.13222%0.218CC..  trans-55.1140.7175.900000110.4T8 I64 H146T8-A91 PolarHBondContact O-N 2.97Å; T8-A91 VanDerWaalsContact O-N 3.15Å; T8-A91 PolarHBondContact OG1-N 3.33Å; T8-A91 VanDerWaalsContact OG1-N 3.1Å; I64-A91 HydrophobicContact CG1-CB 4.03Å; A91-H146 PolarHBondContact O-CE1 2.85Å
92G92.3Very high84.2Confident25 Ų2549 Ų4926%0.25825%0.25SC..  trans178.1161176.900000112.5N90 N142N90-G92 PolarHBondContact O-N 3.37Å; G92-N142 WeakPolarHBondContact CA-OD1 3.35Å
93I90.4Very high82.7Confident38 Ų3843.3 Ų43.320%0.19523%0.228CC..  trans-128.9157.2-177.862.8168.1000111.3P95 E137 V138 T141 N142 Y193I93-P95 HydrophobicContact CD1-CG 4.39Å; I93-E137 HydrophobicContact CD1-CB 4.31Å; I93-E137 HydrophobicContact CD1-CG 3.57Å; I93-V138 HydrophobicContact CD1-CG2 4.36Å; I93-V138 HydrophobicContact CG1-CG2 4.46Å; I93-T141 HydrophobicContact CD1-CG2 4.46Å; I93-T141 HydrophobicContact CG1-CG2 4.09Å; I93-T141 HydrophobicContact CG2-CG2 3.99Å; I93-N142 PolarHBondContact N-OD1 2.96Å; I93-N142 PolarHBondContact O-ND2 3.15Å; I93-Y193 WeakPolarHBondContact O-CD2 3.42Å
94M85.9Confident81.3Confident22 Ų2242.4 Ų42.411%0.10823%0.227CC..  trans-138.986.9167.1-177.8174.566.900106.3P97 L124 Q126 Y193 L230 I234M94-P97 HydrophobicContact CE-CB 3.92Å; M94-P97 HydrophobicContact CE-CG 4.2Å; M94-P97 WeakPolarHBondContact O-CD 3.35Å; M94-L124 HydrophobicContact CE-CD1 4.32Å; M94-L124 HydrophobicContact SD-CD1 4.42Å; M94-Q126 HydrophobicContact CG-CG 4.33Å; M94-Y193 HydrophobicContact CB-CD2 3.81Å; M94-Y193 HydrophobicContact CB-CE2 4.22Å; M94-Y193 HydrophobicContact CB-CG 4.15Å; M94-Y193 HydrophobicContact CG-CD1 4.45Å; M94-Y193 HydrophobicContact CG-CD2 4.13Å; M94-Y193 HydrophobicContact CG-CG 3.94Å; M94-Y193 HydrophobicContact SD-CD1 3.91Å; M94-Y193 HydrophobicContact SD-CD2 4.47Å; M94-Y193 HydrophobicContact SD-CE1 4.26Å; M94-Y193 HydrophobicContact SD-CG 4.03Å; M94-L230 HydrophobicContact CB-CD2 4.34Å; M94-L230 WeakPolarHBondContact CE-O 3.44Å; M94-I234 HydrophobicContact CE-CD1 4.38Å
95P72.8Confident79.8Confident20 Ų2048.1 Ų48.113%0.1325%0.252CS..  trans-72.2140.6-171.926.3-31.5000111.8I93 G127 V138I93-P95 HydrophobicContact CD1-CG 4.39Å; P95-G127 WeakPolarHBondContact CB-O 3.46Å; P95-G127 WeakPolarHBondContact CG-O 3.5Å; P95-V138 HydrophobicContact CG-CG2 3.34Å
96N63.8Low78.3Confident91 Ų9154.5 Ų54.549%0.48728%0.279SS..  trans46.955.7174.9-62.7-25.1000114.7Q98N96-Q98 PolarHBondContact O-N 3.43Å
97P66.1Low76.5Confident32 Ų3254.9 Ų54.921%0.20828%0.283CS..  trans-68.3102.3175.730-32.3000108.9M94 L124 I234M94-P97 HydrophobicContact CE-CB 3.92Å; M94-P97 HydrophobicContact CE-CG 4.2Å; M94-P97 WeakPolarHBondContact O-CD 3.35Å; P97-L124 HydrophobicContact CB-CD2 4.34Å; P97-I234 HydrophobicContact CB-CD1 4.4Å; P97-I234 HydrophobicContact CB-CG1 4.09Å; P97-I234 HydrophobicContact CG-CG1 3.9Å
98Q62.4Low74.8Confident128 Ų12858.9 Ų58.960%0.59830%0.304SS*.EExtended strand (participates in β ladder)trans-96.1128.7175.5-67.4-177.31000109.5N96 N100 L124 T125N96-Q98 PolarHBondContact O-N 3.43Å; Q98-N100 PolarHBondContact O-N 3.1Å; Q98-L124 WeakPolarHBondContact O-CA 3.35Å; Q98-T125 PolarHBondContact N-O 2.78Å; Q98-T125 PolarHBondContact O-N 3.48Å
99L65.7Low73.4Confident48 Ų4866.6 Ų66.625%0.25134%0.338SS..EExtended strand (participates in β ladder)trans-75.6120176.2-162.9108.2000110.2I101 L104 L123 L124 I234L99-I101 HydrophobicContact CD2-CG1 4.15Å; L99-I101 PolarHBondContact O-N 3.03Å; L99-L104 HydrophobicContact CD2-CB 4.18Å; L99-L104 HydrophobicContact CD2-CD2 3.64Å; L99-L104 HydrophobicContact CD2-CG 4.38Å; L99-L123 CarbonylContact C-O 3.55Å; L99-L123 WeakPolarHBondContact CA-O 3.39Å; L99-L124 HydrophobicContact CD1-CD2 4.36Å; L99-I234 HydrophobicContact CB-CG2 4.45Å; L99-I234 HydrophobicContact CD1-CG2 3.98Å
100N67.4Low71.9Confident63 Ų6368.8 Ų68.834%0.33735%0.354SS..  trans-76.892.4169.9-173.2-25.5000109.3Q98 K102 A103 L104 L123Q98-N100 PolarHBondContact O-N 3.1Å; N100-K102 PolarHBondContact O-N 3Å; N100-K102 PolarHBondContact OD1-N 3.26Å; N100-A103 HydrophobicContact CB-CB 3.89Å; N100-A103 PolarHBondContact O-N 3.43Å; N100-A103 VanDerWaalsContact O-N 3.09Å; N100-A103 PolarHBondContact OD1-N 2.98Å; N100-L104 PolarHBondContact O-N 3.43Å; N100-L123 PolarHBondContact N-O 2.84Å
101I66.3Low70.3Confident126 Ų12680.2 Ų80.265%0.64640%0.395SS*.Hα-helixtrans-58.3-34.8-176.5-55.6176.2000111.7L99 L104 F105L99-I101 HydrophobicContact CD2-CG1 4.15Å; L99-I101 PolarHBondContact O-N 3.03Å; I101-L104 PolarHBondContact O-N 3.36Å; I101-F105 WeakPolarHBondContact O-CB 3.13Å; I101-F105 PolarHBondContact O-N 2.84Å
102K65.4Low69Low164 Ų16486.2 Ų86.271%0.71342%0.419SS*.Hα-helixtrans-65.4-48.6175.8-69.7-176.6179.1179.70110.8N100 L104 F105 F106N100-K102 PolarHBondContact O-N 3Å; N100-K102 PolarHBondContact OD1-N 3.26Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 2.83Å; K102-F105 PolarHBondContact O-N 3.49Å; K102-F106 VanDerWaalsContact O-CD2 3.26Å; K102-F106 WeakPolarHBondContact O-CD2 3.28Å; K102-F106 PolarHBondContact O-N 2.89Å
103A63.1Low67.5Low30 Ų3086.9 Ų86.925%0.24842%0.418CS..Hα-helixtrans-62.3-37.3176.500000111.9N100 G107 G122 L123N100-A103 HydrophobicContact CB-CB 3.89Å; N100-A103 PolarHBondContact O-N 3.43Å; N100-A103 VanDerWaalsContact O-N 3.09Å; N100-A103 PolarHBondContact OD1-N 2.98Å; A103-G107 WeakPolarHBondContact O-CA 3.43Å; A103-G107 PolarHBondContact O-N 3.34Å; A103-G122 WeakPolarHBondContact CB-O 3.5Å; A103-L123 HydrophobicContact CB-CD2 4.19Å
104L66.3Low66.1Low41 Ų4188.3 Ų88.322%0.21543%0.425CS..Hα-helixtrans-60.8-50.5173.5-175.474000111.4L99 N100 I101 K102 G107 L108 F117 L123L99-L104 HydrophobicContact CD2-CB 4.18Å; L99-L104 HydrophobicContact CD2-CD2 3.64Å; L99-L104 HydrophobicContact CD2-CG 4.38Å; N100-L104 PolarHBondContact O-N 3.43Å; I101-L104 PolarHBondContact O-N 3.36Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 2.83Å; L104-G107 PolarHBondContact O-N 3.32Å; L104-L108 WeakPolarHBondContact O-CG 3.17Å; L104-L108 PolarHBondContact O-N 3.35Å; L104-F117 HydrophobicContact CD1-CE1 3.78Å; L104-F117 HydrophobicContact CD1-CZ 3.63Å; L104-L123 VanDerWaalsContact CA-CD2 3.43Å; L104-L123 HydrophobicContact CB-CD2 3.92Å; L104-L123 HydrophobicContact CD1-CD1 3.97Å; L104-L123 HydrophobicContact CD1-CD2 4.01Å
105F66.3Low64.9Low121 Ų12191.6 Ų91.653%0.53144%0.44SS..Hα-helixtrans-62.5-49.1-177.1-170.1-96000111.6I101 K102 G107 L108 F109I101-F105 WeakPolarHBondContact O-CB 3.13Å; I101-F105 PolarHBondContact O-N 2.84Å; K102-F105 PolarHBondContact O-N 3.49Å; F105-G107 VanDerWaalsContact C-N 3.32Å; F105-G107 PolarHBondContact O-N 2.98Å; F105-L108 PolarHBondContact O-N 3.16Å; F105-F109 HydrophobicContact CD1-CE2 4.14Å; F105-F109 AromaticContact CE1-CE2 3.77Å; F105-F109 HydrophobicContact CE1-CE2 3.77Å; F105-F109 HydrophobicContact CE2-CE2 4.22Å; F105-F109 AromaticContact CZ-CE2 3.82Å; F105-F109 HydrophobicContact CZ-CE2 3.82Å; F105-F109 HydrophobicContact CZ-CZ 4.32Å; F105-F109 WeakPolarHBondContact O-CD2 3.44Å; F105-F109 WeakPolarHBondContact O-CE2 3.34Å
106F65.1Low64.5Low152 Ų15291.6 Ų91.667%0.66744%0.438SS*.Hα-helixtrans-68.6-32.7177-76.9-72000112.9K102 F109 S110K102-F106 VanDerWaalsContact O-CD2 3.26Å; K102-F106 WeakPolarHBondContact O-CD2 3.28Å; K102-F106 PolarHBondContact O-N 2.89Å; F106-F109 PolarHBondContact O-N 3.34Å; F106-S110 PolarHBondContact O-N 3.3Å
107G60.5Low64.5Low8 Ų890.4 Ų90.48%0.08243%0.429CS..Hα-helixtrans-69.3-29.2178.200000114.1A103 L104 F105 F109 S110 M116A103-G107 WeakPolarHBondContact O-CA 3.43Å; A103-G107 PolarHBondContact O-N 3.34Å; L104-G107 PolarHBondContact O-N 3.32Å; F105-G107 VanDerWaalsContact C-N 3.32Å; F105-G107 PolarHBondContact O-N 2.98Å; G107-F109 PolarHBondContact O-N 3.49Å; G107-S110 WeakPolarHBondContact O-CB 3.36Å; G107-S110 PolarHBondContact O-N 3.22Å; G107-S110 VanDerWaalsContact O-N 3.1Å; G107-M116 VanDerWaalsContact C-CE 3.48Å; G107-M116 VanDerWaalsContact CA-SD 3.56Å
108L62.4Low64.1Low86 Ų8689.6 Ų89.645%0.4542%0.424SS..Hα-helixtrans-61-30.2172.7-80.1164.1000112.6L104 F105 V113 F117L104-L108 WeakPolarHBondContact O-CG 3.17Å; L104-L108 PolarHBondContact O-N 3.35Å; F105-L108 PolarHBondContact O-N 3.16Å; L108-V113 HydrophobicContact CD2-CG2 4.47Å; L108-F117 HydrophobicContact CD2-CE2 3.66Å; L108-F117 HydrophobicContact CD2-CZ 3.71Å; L108-F117 HydrophobicContact CG-CE2 4.33Å; L108-F117 HydrophobicContact CG-CZ 4.27Å
109F70Confident63.9Low162 Ų16284.3 Ų84.371%0.71140%0.4SS*.THydrogen-bonded Turntrans-93.62.6177.3-58.3-76.5000113.3F105 F106 G107F105-F109 HydrophobicContact CD1-CE2 4.14Å; F105-F109 AromaticContact CE1-CE2 3.77Å; F105-F109 HydrophobicContact CE1-CE2 3.77Å; F105-F109 HydrophobicContact CE2-CE2 4.22Å; F105-F109 AromaticContact CZ-CE2 3.82Å; F105-F109 HydrophobicContact CZ-CE2 3.82Å; F105-F109 HydrophobicContact CZ-CZ 4.32Å; F105-F109 WeakPolarHBondContact O-CD2 3.44Å; F105-F109 WeakPolarHBondContact O-CE2 3.34Å; F106-F109 PolarHBondContact O-N 3.34Å; G107-F109 PolarHBondContact O-N 3.49Å
110S67.5Low63.6Low51 Ų5183.5 Ų83.536%0.35740%0.401SS..SBendtrans-89.4147.2-178.5-179.90000112.3F106 G107 K112 V113F106-S110 PolarHBondContact O-N 3.3Å; G107-S110 WeakPolarHBondContact O-CB 3.36Å; G107-S110 PolarHBondContact O-N 3.22Å; G107-S110 VanDerWaalsContact O-N 3.1Å; S110-K112 PolarHBondContact O-N 3.17Å; S110-K112 PolarHBondContact OG-N 3.48Å; S110-V113 WeakPolarHBondContact O-CB 3.47Å; S110-V113 PolarHBondContact O-N 2.98Å; S110-V113 VanDerWaalsContact O-N 3.08Å
111R63.4Low63.5Low260 Ų26084 Ų8498%0.98140%0.401SS*.THydrogen-bonded Turntrans-59.7-16.2169.1-67.8-175.2177.1-173.9-0.9113.2
112K65Low63.2Low143 Ų14379.9 Ų79.962%0.62239%0.39SS*.THydrogen-bonded Turntrans-91.18.1177.9-63.8-174.7178.4-177.30113.9S110 I114 H115 M116S110-K112 PolarHBondContact O-N 3.17Å; S110-K112 PolarHBondContact OG-N 3.48Å; K112-I114 VanDerWaalsContact C-N 3.3Å; K112-I114 PolarHBondContact O-N 2.8Å; K112-H115 PolarHBondContact O-N 3.05Å; K112-M116 WeakPolarHBondContact O-CB 3.34Å; K112-M116 PolarHBondContact O-N 2.96Å
113V62.4Low63.1Low39 Ų3972.5 Ų72.524%0.23636%0.358CS..Hα-helixtrans-50.8-45-173.971.20000113L108 S110 H115 M116 F117L108-V113 HydrophobicContact CD2-CG2 4.47Å; S110-V113 WeakPolarHBondContact O-CB 3.47Å; S110-V113 PolarHBondContact O-N 2.98Å; S110-V113 VanDerWaalsContact O-N 3.08Å; V113-H115 PolarHBondContact O-N 3.29Å; V113-M116 PolarHBondContact O-N 3.48Å; V113-F117 HydrophobicContact CG2-CD2 3.61Å; V113-F117 HydrophobicContact CG2-CE2 3.52Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.26Å; V113-F117 PolarHBondContact O-N 3.22Å
114I61.3Low63.4Low67 Ų6771.7 Ų71.734%0.34435%0.35SS..Hα-helixtrans-65-42.5179.7-57.7175.3000111.4K112 S118 L250 F253 A254K112-I114 VanDerWaalsContact C-N 3.3Å; K112-I114 PolarHBondContact O-N 2.8Å; I114-S118 VanDerWaalsContact O-CB 3.28Å; I114-S118 WeakPolarHBondContact O-CB 3.47Å; I114-S118 PolarHBondContact O-N 2.87Å; I114-S118 PolarHBondContact O-OG 3.01Å; I114-L250 HydrophobicContact CG1-CD2 4.44Å; I114-F253 HydrophobicContact CD1-CB 4.01Å; I114-A254 HydrophobicContact CG2-CB 3.77Å
115H60.2Low63.3Low92 Ų9272.6 Ų72.643%0.42636%0.357SS..Hα-helixtrans-66.5-42.1177.3-172.372.5000111.4K112 V113 S118 T119 E121 R175K112-H115 PolarHBondContact O-N 3.05Å; V113-H115 PolarHBondContact O-N 3.29Å; H115-S118 WeakPolarHBondContact CA-OG 3.34Å; H115-S118 PolarHBondContact O-N 2.96Å; H115-S118 PolarHBondContact O-OG 3.43Å; H115-T119 WeakPolarHBondContact O-CB 3.36Å; H115-T119 WeakPolarHBondContact O-CG2 3.36Å; H115-T119 PolarHBondContact O-N 3.45Å; H115-T119 PolarHBondContact O-OG1 3.09Å; H115-E121 IonicContact CD2-OE2 3.62Å; H115-E121 PolarHBondContact CD2-OE2 3.47Å; H115-E121 IonicContact NE2-OE2 3.95Å; H115-E121 PolarHBondContact NE2-OE2 3.37Å; H115-R175 PolarHBondContact NE2-NH2 3.03Å; H115-R175 VanDerWaalsContact NE2-NH2 3.18Å
116M63.4Low63.7Low20 Ų2067.8 Ų67.810%0.09934%0.336CS..Hα-helixtrans-62.9-46.3178.6-169.9-173.469.300111.6G107 K112 V113 A120 E121 L123G107-M116 VanDerWaalsContact C-CE 3.48Å; G107-M116 VanDerWaalsContact CA-SD 3.56Å; K112-M116 WeakPolarHBondContact O-CB 3.34Å; K112-M116 PolarHBondContact O-N 2.96Å; V113-M116 PolarHBondContact O-N 3.48Å; M116-A120 WeakPolarHBondContact O-CA 3.47Å; M116-A120 PolarHBondContact O-N 2.83Å; M116-E121 WeakPolarHBondContact CG-O 3.04Å; M116-L123 HydrophobicContact CE-CD1 4.02Å; M116-L123 HydrophobicContact CE-CD2 3.96Å; M116-L123 HydrophobicContact CE-CG 4.35Å; M116-L123 HydrophobicContact CG-CD1 3.79Å; M116-L123 HydrophobicContact CG-CD2 4.14Å; M116-L123 HydrophobicContact CG-CG 3.74Å; M116-L123 HydrophobicContact SD-CD1 4.18Å; M116-L123 HydrophobicContact SD-CD2 3.62Å; M116-L123 HydrophobicContact SD-CG 3.93Å
117F63.7Low64.2Low65 Ų6562 Ų6229%0.28532%0.319SS..Hα-helixtrans-71.5-32.2177.5-82.2-73.9000113.3L104 L108 V113 F257L104-F117 HydrophobicContact CD1-CE1 3.78Å; L104-F117 HydrophobicContact CD1-CZ 3.63Å; L108-F117 HydrophobicContact CD2-CE2 3.66Å; L108-F117 HydrophobicContact CD2-CZ 3.71Å; L108-F117 HydrophobicContact CG-CE2 4.33Å; L108-F117 HydrophobicContact CG-CZ 4.27Å; V113-F117 HydrophobicContact CG2-CD2 3.61Å; V113-F117 HydrophobicContact CG2-CE2 3.52Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.26Å; V113-F117 PolarHBondContact O-N 3.22Å; F117-F257 HydrophobicContact CB-CZ 4.22Å; F117-F257 WeakPolarHBondContact O-CZ 3.12Å
118S57.9Low65.3Low15 Ų1563.6 Ų63.611%0.10533%0.326CS..Hα-helixtrans-75.4-26.1178.555.60000113.5I114 H115 T225I114-S118 VanDerWaalsContact O-CB 3.28Å; I114-S118 WeakPolarHBondContact O-CB 3.47Å; I114-S118 PolarHBondContact O-N 2.87Å; I114-S118 PolarHBondContact O-OG 3.01Å; H115-S118 WeakPolarHBondContact CA-OG 3.34Å; H115-S118 PolarHBondContact O-N 2.96Å; H115-S118 PolarHBondContact O-OG 3.43Å; S118-T225 PolarHBondContact O-OG1 3.05Å
119T58.5Low66.6Low17 Ų1765.7 Ų65.710%0.10433%0.331CS..Hα-helixtrans-110.6-12.3-178.162.70000114.2H115 E121 R175H115-T119 WeakPolarHBondContact O-CB 3.36Å; H115-T119 WeakPolarHBondContact O-CG2 3.36Å; H115-T119 PolarHBondContact O-N 3.45Å; H115-T119 PolarHBondContact O-OG1 3.09Å; T119-E121 PolarHBondContact O-N 3.08Å; T119-E121 VanDerWaalsContact OG1-CB 3.28Å; T119-E121 WeakPolarHBondContact OG1-CB 3.39Å; T119-E121 PolarHBondContact OG1-N 2.81Å; T119-R175 PolarHBondContact OG1-NH2 3.12Å
120A60Low67.7Low32 Ų3263.6 Ų63.626%0.26433%0.326SS..  trans5621.7-167.600000114.2M116 G122 L123 L124M116-A120 WeakPolarHBondContact O-CA 3.47Å; M116-A120 PolarHBondContact O-N 2.83Å; A120-G122 PolarHBondContact O-N 3.27Å; A120-L123 PolarHBondContact O-N 3.14Å; A120-L124 HydrophobicContact CB-CD1 3.7Å; A120-L124 HydrophobicContact CB-CG 4.14Å
121E64.3Low69Low74 Ų7462.3 Ų62.335%0.34632%0.316SS..THydrogen-bonded Turntrans-58.5128.5-176.7176.5-177.1-167.100112.5H115 M116 T119 L123 R175H115-E121 IonicContact CD2-OE2 3.62Å; H115-E121 PolarHBondContact CD2-OE2 3.47Å; H115-E121 IonicContact NE2-OE2 3.95Å; H115-E121 PolarHBondContact NE2-OE2 3.37Å; M116-E121 WeakPolarHBondContact CG-O 3.04Å; T119-E121 PolarHBondContact O-N 3.08Å; T119-E121 VanDerWaalsContact OG1-CB 3.28Å; T119-E121 WeakPolarHBondContact OG1-CB 3.39Å; T119-E121 PolarHBondContact OG1-N 2.81Å; E121-L123 PolarHBondContact O-N 2.85Å; E121-R175 IonicContact OE1-CZ 3.96Å; E121-R175 IonicContact OE1-NH1 3.65Å; E121-R175 PolarHBondContact OE1-NH1 3.26Å; E121-R175 IonicContact OE1-NH2 3.23Å; E121-R175 IonicContact OE2-CZ 2.78Å; E121-R175 IonicContact OE2-NH1 3.46Å; E121-R175 PolarHBondContact OE2-NH1 3.18Å; E121-R175 IonicContact OE2-NH2 2.68Å; E121-R175 PolarHBondContact OE2-NH2 2.68Å
122G60.3Low70.2Confident39 Ų3954.3 Ų54.340%0.40231%0.306SS..THydrogen-bonded Turntrans67.4-3.5175.800000114.5A103 A120A103-G122 WeakPolarHBondContact CB-O 3.5Å; A120-G122 PolarHBondContact O-N 3.27Å
123L64Low71.4Confident8 Ų849.1 Ų49.14%0.04229%0.285CS..THydrogen-bonded Turntrans-88.6-22.7177.1-65.9-176.4000112.5L99 N100 A103 L104 M116 A120 E121L99-L123 CarbonylContact C-O 3.55Å; L99-L123 WeakPolarHBondContact CA-O 3.39Å; N100-L123 PolarHBondContact N-O 2.84Å; A103-L123 HydrophobicContact CB-CD2 4.19Å; L104-L123 VanDerWaalsContact CA-CD2 3.43Å; L104-L123 HydrophobicContact CB-CD2 3.92Å; L104-L123 HydrophobicContact CD1-CD1 3.97Å; L104-L123 HydrophobicContact CD1-CD2 4.01Å; M116-L123 HydrophobicContact CE-CD1 4.02Å; M116-L123 HydrophobicContact CE-CD2 3.96Å; M116-L123 HydrophobicContact CE-CG 4.35Å; M116-L123 HydrophobicContact CG-CD1 3.79Å; M116-L123 HydrophobicContact CG-CD2 4.14Å; M116-L123 HydrophobicContact CG-CG 3.74Å; M116-L123 HydrophobicContact SD-CD1 4.18Å; M116-L123 HydrophobicContact SD-CD2 3.62Å; M116-L123 HydrophobicContact SD-CG 3.93Å; A120-L123 PolarHBondContact O-N 3.14Å; E121-L123 PolarHBondContact O-N 2.85Å
124L68.3Low72.9Confident14 Ų1449.7 Ų49.77%0.07330%0.299CS..EExtended strand (participates in β ladder)trans-117.5118.8-174-61178.4000110.4M94 P97 Q98 L99 A120 I234M94-L124 HydrophobicContact CE-CD1 4.32Å; M94-L124 HydrophobicContact SD-CD1 4.42Å; P97-L124 HydrophobicContact CB-CD2 4.34Å; Q98-L124 WeakPolarHBondContact O-CA 3.35Å; L99-L124 HydrophobicContact CD1-CD2 4.36Å; A120-L124 HydrophobicContact CB-CD1 3.7Å; A120-L124 HydrophobicContact CB-CG 4.14Å; L124-I234 HydrophobicContact CD1-CD1 4.08Å; L124-I234 HydrophobicContact CD2-CD1 4.19Å; L124-I234 HydrophobicContact CD2-CG2 4.04Å
125T65.3Low74.5Confident59 Ų5946.8 Ų46.836%0.36228%0.284SS..EExtended strand (participates in β ladder)trans-96.6143.5164.452.20000109.3Q98Q98-T125 PolarHBondContact N-O 2.78Å; Q98-T125 PolarHBondContact O-N 3.48Å
126Q74.4Confident76.2Confident21 Ų2143.5 Ų43.510%0.09827%0.269CS..  trans-124.8142.1-175-62.9162.822.300110.2M94 P192M94-Q126 HydrophobicContact CG-CG 4.33Å; Q126-P192 HydrophobicContact CB-CG 3.97Å
127G74.8Confident77.7Confident31 Ų3145 Ų4532%0.3228%0.275SS..  trans-103.7126.3170.700000109.4P95P95-G127 WeakPolarHBondContact CB-O 3.46Å; P95-G127 WeakPolarHBondContact CG-O 3.5Å
128D85.3Confident79.3Confident40 Ų4041.9 Ų41.921%0.21426%0.262CS..  trans-105.4150.9177.4-157.31.4000110.4Q136 E137 V138 P192D128-Q136 VanDerWaalsContact CG-NE2 3.29Å; D128-Q136 WeakPolarHBondContact OD2-CB 3.49Å; D128-Q136 PolarHBondContact OD2-NE2 3.24Å; D128-E137 PolarHBondContact OD1-N 3.24Å; D128-V138 WeakPolarHBondContact OD1-CG2 3.29Å; D128-V138 PolarHBondContact OD1-N 2.97Å; D128-P192 HydrophobicContact CB-CB 4.46Å; D128-P192 HydrophobicContact CB-CG 4.21Å
129K89.9Confident81.1Confident131 Ų13141.4 Ų41.457%0.5726%0.258SS*.  trans-123.9168.1178.9-66.6-179.4-177.71790109.5E137K129-E137 WeakPolarHBondContact O-CB 3.21Å; K129-E137 PolarHBondContact O-N 3.36Å
130I93.1Very high83Confident118 Ų11840.6 Ų40.661%0.60525%0.253SS*.BIsolated β-bridgetrans-96.9135.5173-59.9173.5000108.4L135I130-L135 CarbonylContact C-O 3.51Å; I130-L135 VanDerWaalsContact CA-O 3.32Å; I130-L135 WeakPolarHBondContact CA-O 3.33Å
131T92.9Very high84.7Confident23 Ų2339.5 Ų39.514%0.14124%0.243CC..  trans-78176.7177.464.70000112.3D133 G134 L135 E137 E140T131-D133 PolarHBondContact O-N 3.48Å; T131-D133 PolarHBondContact OG1-N 3.23Å; T131-G134 PolarHBondContact O-N 2.99Å; T131-G134 VanDerWaalsContact O-N 3.17Å; T131-G134 PolarHBondContact OG1-N 2.96Å; T131-L135 PolarHBondContact N-O 3.37Å; T131-L135 PolarHBondContact OG1-N 2.94Å; T131-L135 PolarHBondContact OG1-O 3.02Å; T131-E137 HydrophobicContact CG2-CB 3.95Å; T131-E137 HydrophobicContact CG2-CG 4.05Å; T131-E140 WeakPolarHBondContact CB-OE2 3.45Å; T131-E140 HydrophobicContact CG2-CB 4.24Å; T131-E140 WeakPolarHBondContact CG2-OE2 3.21Å; T131-E140 PolarHBondContact OG1-OE2 3.44Å
132A89.3Confident86.3Confident93 Ų9336.1 Ų36.177%0.76923%0.227SC*.THydrogen-bonded Turntrans-63-24.4171.200000112.8G134A132-G134 VanDerWaalsContact C-N 3.27Å
133D90.4Very high88.1Confident33 Ų3334.2 Ų34.218%0.17621%0.208CC..THydrogen-bonded Turntrans-85.71.4178.9-64.6-56.4000112.6N66 L67 T131 E140N66-D133 WeakPolarHBondContact CA-OD2 3.46Å; L67-D133 HydrophobicContact CD1-CB 4.05Å; L67-D133 HydrophobicContact CG-CB 4.36Å; L67-D133 PolarHBondContact N-OD2 3.08Å; T131-D133 PolarHBondContact O-N 3.48Å; T131-D133 PolarHBondContact OG1-N 3.23Å; D133-E140 VanDerWaalsContact OD2-OE1 3.06Å
134G93.1Very high89.8Confident51 Ų5133.9 Ų33.953%0.52621%0.206SC..SBendtrans79.116.6176.500000114.5T131 A132T131-G134 PolarHBondContact O-N 2.99Å; T131-G134 VanDerWaalsContact O-N 3.17Å; T131-G134 PolarHBondContact OG1-N 2.96Å; A132-G134 VanDerWaalsContact C-N 3.27Å
135L95.9Very high91.2Very high6 Ų633.2 Ų33.23%0.03120%0.202CC..SBendtrans-108.9160-180-56.9175.6000111.2L67 I130 T131 E137 E140 F144 L319L67-L135 HydrophobicContact CD1-CD1 4.47Å; I130-L135 CarbonylContact C-O 3.51Å; I130-L135 VanDerWaalsContact CA-O 3.32Å; I130-L135 WeakPolarHBondContact CA-O 3.33Å; T131-L135 PolarHBondContact N-O 3.37Å; T131-L135 PolarHBondContact OG1-N 2.94Å; T131-L135 PolarHBondContact OG1-O 3.02Å; L135-E137 PolarHBondContact O-N 3.48Å; L135-E140 HydrophobicContact CB-CB 4.11Å; L135-E140 HydrophobicContact CD1-CB 4.39Å; L135-E140 HydrophobicContact CD1-CG 4.11Å; L135-F144 HydrophobicContact CD1-CD1 3.39Å; L135-F144 HydrophobicContact CD1-CE1 3.76Å; L135-F144 HydrophobicContact CD1-CG 4.28Å; L135-L319 HydrophobicContact CD2-CD1 4.2Å; L135-L319 HydrophobicContact CD2-CD2 4.2Å
136Q96.2Very high92.8Very high24 Ų2430.4 Ų30.411%0.11219%0.185CC..BIsolated β-bridgetrans-62.5126.4170.9-69.6-65.1108.200110.7D128 V138 F139 E140 Q185D128-Q136 VanDerWaalsContact CG-NE2 3.29Å; D128-Q136 WeakPolarHBondContact OD2-CB 3.49Å; D128-Q136 PolarHBondContact OD2-NE2 3.24Å; Q136-V138 VanDerWaalsContact C-N 3.33Å; Q136-V138 PolarHBondContact O-N 3.07Å; Q136-F139 HydrophobicContact CB-CB 4.1Å; Q136-F139 PolarHBondContact O-N 3.33Å; Q136-F139 VanDerWaalsContact O-N 3.12Å; Q136-E140 PolarHBondContact O-N 3.5Å; Q136-Q185 HydrophobicContact CB-CB 4.07Å; Q136-Q185 WeakPolarHBondContact CB-O 3.34Å; Q136-Q185 HydrophobicContact CG-CB 3.82Å; Q136-Q185 WeakPolarHBondContact CG-O 3.41Å
137E95.2Very high93.9Very high51 Ų5129.4 Ų29.424%0.23818%0.181CC..Hα-helixtrans-57.3-43.4-170.2-167.4-169.5-172.500112.1I93 D128 K129 T131 L135 T141I93-E137 HydrophobicContact CD1-CB 4.31Å; I93-E137 HydrophobicContact CD1-CG 3.57Å; D128-E137 PolarHBondContact OD1-N 3.24Å; K129-E137 WeakPolarHBondContact O-CB 3.21Å; K129-E137 PolarHBondContact O-N 3.36Å; T131-E137 HydrophobicContact CG2-CB 3.95Å; T131-E137 HydrophobicContact CG2-CG 4.05Å; L135-E137 PolarHBondContact O-N 3.48Å; E137-T141 VanDerWaalsContact O-CB 3.26Å; E137-T141 WeakPolarHBondContact O-CB 3.43Å; E137-T141 PolarHBondContact O-N 3.5Å; E137-T141 PolarHBondContact O-OG1 2.89Å
138V95.5Very high95.1Very high0 Ų028 Ų280%017%0.166CC..Hα-helixtrans-66.2-45.3178.8-178.60000111.6I93 P95 D128 Q136 N142 P192I93-V138 HydrophobicContact CD1-CG2 4.36Å; I93-V138 HydrophobicContact CG1-CG2 4.46Å; P95-V138 HydrophobicContact CG-CG2 3.34Å; D128-V138 WeakPolarHBondContact OD1-CG2 3.29Å; D128-V138 PolarHBondContact OD1-N 2.97Å; Q136-V138 VanDerWaalsContact C-N 3.33Å; Q136-V138 PolarHBondContact O-N 3.07Å; V138-N142 WeakPolarHBondContact O-CB 3.45Å; V138-N142 PolarHBondContact O-N 2.96Å; V138-P192 HydrophobicContact CB-CB 4.03Å; V138-P192 HydrophobicContact CG1-CB 4.18Å; V138-P192 HydrophobicContact CG2-CB 4.12Å; V138-P192 HydrophobicContact CG2-CG 4.25Å
139F97.4Very high95.7Very high5 Ų526.3 Ų26.32%0.02216%0.157CC..Hα-helixtrans-63.2-47.2178.2166.6-100.5000111.1Q136 V143 F144 F184 Q185 F312 L316 L319Q136-F139 HydrophobicContact CB-CB 4.1Å; Q136-F139 PolarHBondContact O-N 3.33Å; Q136-F139 VanDerWaalsContact O-N 3.12Å; F139-V143 HydrophobicContact CD2-CB 4.18Å; F139-V143 HydrophobicContact CD2-CG2 4.33Å; F139-V143 HydrophobicContact CE2-CB 4.2Å; F139-V143 HydrophobicContact CE2-CG1 4.26Å; F139-V143 WeakPolarHBondContact O-CA 3.42Å; F139-V143 VanDerWaalsContact O-CB 3.3Å; F139-V143 WeakPolarHBondContact O-CB 3.42Å; F139-V143 PolarHBondContact O-N 3Å; F139-F144 HydrophobicContact CD1-CB 4.21Å; F139-F144 HydrophobicContact CE1-CB 3.61Å; F139-F144 HydrophobicContact CE1-CD2 4.48Å; F139-F144 HydrophobicContact CE1-CG 4.06Å; F139-F144 HydrophobicContact CZ-CB 3.88Å; F139-F144 HydrophobicContact CZ-CD2 4.39Å; F139-F144 HydrophobicContact CZ-CG 4.35Å; F139-F144 PolarHBondContact O-N 3.13Å; F139-F144 VanDerWaalsContact O-N 3.08Å; F139-F184 HydrophobicContact CD2-CD2 4.47Å; F139-F184 WeakPolarHBondContact CD2-O 3.37Å; F139-F184 HydrophobicContact CE1-CD2 4.44Å; F139-F184 HydrophobicContact CE1-CE2 4.21Å; F139-F184 AromaticContact CE2-CD2 3.69Å; F139-F184 HydrophobicContact CE2-CD2 3.69Å; F139-F184 HydrophobicContact CE2-CE2 4.21Å; F139-F184 AromaticContact CZ-CD2 3.66Å; F139-F184 HydrophobicContact CZ-CD2 3.66Å; F139-F184 AromaticContact CZ-CE2 3.68Å; F139-F184 HydrophobicContact CZ-CE2 3.68Å; F139-Q185 HydrophobicContact CB-CB 4.29Å; F139-Q185 HydrophobicContact CD1-CB 4.18Å; F139-Q185 HydrophobicContact CD1-CG 3.65Å; F139-Q185 HydrophobicContact CD2-CG 4.49Å; F139-Q185 HydrophobicContact CE1-CG 3.81Å; F139-Q185 HydrophobicContact CG-CB 4.12Å; F139-Q185 HydrophobicContact CG-CG 4.01Å; F139-Q185 HydrophobicContact CZ-CG 4.31Å; F139-F312 HydrophobicContact CE2-CE2 4.42Å; F139-F312 HydrophobicContact CE2-CZ 4.22Å; F139-L316 HydrophobicContact CE2-CD2 4.13Å; F139-L316 HydrophobicContact CZ-CD2 3.68Å; F139-L319 HydrophobicContact CE1-CD2 3.93Å; F139-L319 HydrophobicContact CZ-CD2 4.2Å
140E97.3Very high96.1Very high0 Ų020.2 Ų20.20%013%0.13CC..Iπ-helixtrans-62.2-50.1-179.3-170.6-178.9149.700111N66 T131 D133 L135 Q136 F144 G145N66-E140 PolarHBondContact N-OE1 3.05Å; T131-E140 WeakPolarHBondContact CB-OE2 3.45Å; T131-E140 HydrophobicContact CG2-CB 4.24Å; T131-E140 WeakPolarHBondContact CG2-OE2 3.21Å; T131-E140 PolarHBondContact OG1-OE2 3.44Å; D133-E140 VanDerWaalsContact OD2-OE1 3.06Å; L135-E140 HydrophobicContact CB-CB 4.11Å; L135-E140 HydrophobicContact CD1-CB 4.39Å; L135-E140 HydrophobicContact CD1-CG 4.11Å; Q136-E140 PolarHBondContact O-N 3.5Å; E140-F144 PolarHBondContact O-N 3.23Å; E140-G145 PolarHBondContact O-N 3.28Å
141T96.5Very high96.4Very high9 Ų917.7 Ų17.76%0.05511%0.113CC..Iπ-helixtrans-69.5-38.7-174.9-49.50000113.1I64 S65 I93 E137 H146I64-T141 WeakPolarHBondContact CG2-O 3.2Å; S65-T141 WeakPolarHBondContact CB-OG1 3.34Å; I93-T141 HydrophobicContact CD1-CG2 4.46Å; I93-T141 HydrophobicContact CG1-CG2 4.09Å; I93-T141 HydrophobicContact CG2-CG2 3.99Å; E137-T141 VanDerWaalsContact O-CB 3.26Å; E137-T141 WeakPolarHBondContact O-CB 3.43Å; E137-T141 PolarHBondContact O-N 3.5Å; E137-T141 PolarHBondContact O-OG1 2.89Å; T141-H146 PolarHBondContact O-CE1 2.78Å; T141-H146 VanDerWaalsContact O-CE1 3.31Å; T141-H146 PolarHBondContact O-ND1 3.1Å
142N97.6Very high96.6Very high2 Ų218.1 Ų18.11%0.01111%0.114CC..Iπ-helixtrans-91.1-19.8-173.2-65.3-4.6000113.3G92 I93 V138 S196 T200G92-N142 WeakPolarHBondContact CA-OD1 3.35Å; I93-N142 PolarHBondContact N-OD1 2.96Å; I93-N142 PolarHBondContact O-ND2 3.15Å; V138-N142 WeakPolarHBondContact O-CB 3.45Å; V138-N142 PolarHBondContact O-N 2.96Å; N142-S196 PolarHBondContact ND2-OG 2.97Å; N142-T200 WeakPolarHBondContact O-CG2 3.23Å
143V98.5Very high97Very high0 Ų013.7 Ų13.70%08%0.077CC..Iπ-helixtrans-131.4-65.3-170.9-167.70000111.2F139 H146 F147 S196 A199 T200 L203 F312F139-V143 HydrophobicContact CD2-CB 4.18Å; F139-V143 HydrophobicContact CD2-CG2 4.33Å; F139-V143 HydrophobicContact CE2-CB 4.2Å; F139-V143 HydrophobicContact CE2-CG1 4.26Å; F139-V143 WeakPolarHBondContact O-CA 3.42Å; F139-V143 VanDerWaalsContact O-CB 3.3Å; F139-V143 WeakPolarHBondContact O-CB 3.42Å; F139-V143 PolarHBondContact O-N 3Å; V143-H146 PolarHBondContact O-N 2.96Å; V143-F147 WeakPolarHBondContact O-CB 3.38Å; V143-F147 PolarHBondContact O-N 2.97Å; V143-S196 WeakPolarHBondContact CG2-O 3.14Å; V143-A199 HydrophobicContact CG1-CB 4.3Å; V143-A199 HydrophobicContact CG2-CB 3.99Å; V143-T200 HydrophobicContact CG2-CG2 4.04Å; V143-L203 HydrophobicContact CG1-CD2 3.96Å; V143-F312 HydrophobicContact CG1-CE1 4.28Å; V143-F312 HydrophobicContact CG1-CZ 4.07Å
144F98.5Very high97.4Very high0 Ų014.6 Ų14.60%08%0.08CC..Iπ-helixtrans-73.2-39.6-165-169.2-117.6000113.5L67 L135 F139 E140 H146 F147 I148 L316 L319 E320 I323L67-F144 HydrophobicContact CD1-CD1 4.11Å; L67-F144 HydrophobicContact CD1-CE1 3.74Å; L67-F144 HydrophobicContact CD2-CD1 4.13Å; L67-F144 HydrophobicContact CD2-CE1 4.3Å; L135-F144 HydrophobicContact CD1-CD1 3.39Å; L135-F144 HydrophobicContact CD1-CE1 3.76Å; L135-F144 HydrophobicContact CD1-CG 4.28Å; F139-F144 HydrophobicContact CD1-CB 4.21Å; F139-F144 HydrophobicContact CE1-CB 3.61Å; F139-F144 HydrophobicContact CE1-CD2 4.48Å; F139-F144 HydrophobicContact CE1-CG 4.06Å; F139-F144 HydrophobicContact CZ-CB 3.88Å; F139-F144 HydrophobicContact CZ-CD2 4.39Å; F139-F144 HydrophobicContact CZ-CG 4.35Å; F139-F144 PolarHBondContact O-N 3.13Å; F139-F144 VanDerWaalsContact O-N 3.08Å; E140-F144 PolarHBondContact O-N 3.23Å; F144-H146 VanDerWaalsContact C-N 3.32Å; F144-H146 PolarHBondContact O-N 3.16Å; F144-F147 AromaticContact CD2-CD1 3.88Å; F144-F147 HydrophobicContact CD2-CD1 3.88Å; F144-F147 AromaticContact CE2-CD1 3.82Å; F144-F147 HydrophobicContact CE2-CD1 3.82Å; F144-F147 HydrophobicContact CE2-CE1 4.22Å; F144-F147 WeakPolarHBondContact O-CB 3.26Å; F144-F147 PolarHBondContact O-N 3.11Å; F144-I148 HydrophobicContact CD1-CG1 4.3Å; F144-I148 HydrophobicContact CE1-CD1 4.3Å; F144-I148 HydrophobicContact CE1-CG1 3.99Å; F144-I148 HydrophobicContact CE2-CD1 4.1Å; F144-I148 HydrophobicContact CE2-CG1 4.25Å; F144-I148 HydrophobicContact CZ-CD1 3.82Å; F144-I148 HydrophobicContact CZ-CG1 3.97Å; F144-I148 WeakPolarHBondContact O-CG1 3.43Å; F144-I148 PolarHBondContact O-N 3.31Å; F144-L316 HydrophobicContact CD2-CD2 4.07Å; F144-L319 HydrophobicContact CD1-CD2 4.44Å; F144-L319 HydrophobicContact CD2-CD2 4Å; F144-L319 HydrophobicContact CE1-CD2 4.22Å; F144-L319 HydrophobicContact CE1-CG 4.26Å; F144-L319 HydrophobicContact CE2-CB 4.13Å; F144-L319 HydrophobicContact CE2-CD2 3.76Å; F144-L319 HydrophobicContact CE2-CG 3.88Å; F144-L319 HydrophobicContact CG-CD2 4.32Å; F144-L319 HydrophobicContact CZ-CB 4.23Å; F144-L319 HydrophobicContact CZ-CD2 3.87Å; F144-L319 HydrophobicContact CZ-CG 3.67Å; F144-E320 HydrophobicContact CZ-CB 4.42Å; F144-I323 HydrophobicContact CE1-CG1 4.14Å; F144-I323 HydrophobicContact CZ-CG1 4.36Å
145G98.3Very high97.5Very high0 Ų016.3 Ų16.30%08%0.082CC..Hα-helixtrans-62.6-38.9175.100000112.2E140 L149E140-G145 PolarHBondContact O-N 3.28Å; G145-L149 WeakPolarHBondContact O-CB 3.5Å; G145-L149 PolarHBondContact O-N 3.29Å
146H98.6Very high97.6Very high1 Ų116.5 Ų16.51%0.0058%0.083CC..Hα-helixtrans-67.3-40.7171.5-70.6105.4000112.4T8 L89 A91 T141 V143 F144 L149 I150 W168T8-H146 PolarHBondContact OG1-NE2 3.06Å; T8-H146 VanDerWaalsContact OG1-NE2 3.16Å; L89-H146 HydrophobicContact CD2-CB 4.15Å; L89-H146 VanDerWaalsContact CD2-CD2 3.49Å; L89-H146 WeakPolarHBondContact CD2-CD2 3.4Å; A91-H146 PolarHBondContact O-CE1 2.85Å; T141-H146 PolarHBondContact O-CE1 2.78Å; T141-H146 VanDerWaalsContact O-CE1 3.31Å; T141-H146 PolarHBondContact O-ND1 3.1Å; V143-H146 PolarHBondContact O-N 2.96Å; F144-H146 VanDerWaalsContact C-N 3.32Å; F144-H146 PolarHBondContact O-N 3.16Å; H146-L149 WeakPolarHBondContact O-CB 3.09Å; H146-L149 PolarHBondContact O-N 2.89Å; H146-I150 WeakPolarHBondContact O-CD1 3.47Å; H146-I150 WeakPolarHBondContact O-CG1 3.32Å; H146-I150 PolarHBondContact O-N 3.39Å; H146-W168 HydrophobicContact CB-CH2 3.71Å; H146-W168 HydrophobicContact CB-CZ3 3.73Å
147F98.7Very high97.7Very high0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-56.4-51.3174.7171.8-105.6000111.4V143 F144 L149 I150 R151 L203 Y313 L316 L317 E320V143-F147 WeakPolarHBondContact O-CB 3.38Å; V143-F147 PolarHBondContact O-N 2.97Å; F144-F147 AromaticContact CD2-CD1 3.88Å; F144-F147 HydrophobicContact CD2-CD1 3.88Å; F144-F147 AromaticContact CE2-CD1 3.82Å; F144-F147 HydrophobicContact CE2-CD1 3.82Å; F144-F147 HydrophobicContact CE2-CE1 4.22Å; F144-F147 WeakPolarHBondContact O-CB 3.26Å; F144-F147 PolarHBondContact O-N 3.11Å; F147-L149 VanDerWaalsContact C-N 3.33Å; F147-L149 PolarHBondContact O-N 3.17Å; F147-I150 PolarHBondContact O-N 3.43Å; F147-R151 HydrophobicContact CD1-CG 4.44Å; F147-R151 HydrophobicContact CD2-CG 4.3Å; F147-R151 HydrophobicContact CE1-CG 4.05Å; F147-R151 HydrophobicContact CE2-CG 3.93Å; F147-R151 HydrophobicContact CZ-CG 3.8Å; F147-R151 WeakPolarHBondContact O-CG 3.47Å; F147-R151 PolarHBondContact O-N 3.45Å; F147-L203 HydrophobicContact CB-CD2 3.96Å; F147-L203 HydrophobicContact CD2-CD1 3.92Å; F147-L203 HydrophobicContact CD2-CD2 4.11Å; F147-L203 HydrophobicContact CE2-CD1 4.33Å; F147-L203 HydrophobicContact CG-CD2 4.45Å; F147-Y313 AromaticContact CE2-CD2 3.88Å; F147-Y313 HydrophobicContact CE2-CD2 3.88Å; F147-Y313 AromaticContact CE2-CE2 3.64Å; F147-Y313 HydrophobicContact CE2-CE2 3.64Å; F147-Y313 HydrophobicContact CZ-CE2 4.31Å; F147-L316 HydrophobicContact CB-CD1 4.46Å; F147-L316 HydrophobicContact CD1-CB 4.11Å; F147-L316 HydrophobicContact CD1-CD1 4.45Å; F147-L316 HydrophobicContact CD2-CD1 4.02Å; F147-L316 HydrophobicContact CE1-CB 3.78Å; F147-L316 HydrophobicContact CE2-CB 4.2Å; F147-L316 HydrophobicContact CE2-CD1 4.35Å; F147-L316 HydrophobicContact CG-CB 4.45Å; F147-L316 HydrophobicContact CG-CD1 4.05Å; F147-L316 HydrophobicContact CZ-CB 3.82Å; F147-L317 HydrophobicContact CZ-CD2 3.9Å; F147-L317 HydrophobicContact CZ-CG 4.3Å; F147-E320 HydrophobicContact CE1-CB 4.21Å
148I98.6Very high97.7Very high2 Ų214.1 Ų14.11%0.017%0.074CC..Hα-helixtrans-61.5-41.6177.1-64.5-59.9000111.2L67 V70 F71 F144 I150 R151 E152 E320L67-I148 HydrophobicContact CD2-CB 4.35Å; L67-I148 HydrophobicContact CD2-CG1 4.05Å; V70-I148 HydrophobicContact CG1-CB 4.37Å; V70-I148 HydrophobicContact CG1-CG2 3.95Å; F71-I148 HydrophobicContact CD1-CG2 4.2Å; F71-I148 HydrophobicContact CE1-CG2 3.45Å; F71-I148 VanDerWaalsContact CE1-CG2 3.45Å; F71-I148 HydrophobicContact CZ-CG2 3.73Å; F144-I148 HydrophobicContact CD1-CG1 4.3Å; F144-I148 HydrophobicContact CE1-CD1 4.3Å; F144-I148 HydrophobicContact CE1-CG1 3.99Å; F144-I148 HydrophobicContact CE2-CD1 4.1Å; F144-I148 HydrophobicContact CE2-CG1 4.25Å; F144-I148 HydrophobicContact CZ-CD1 3.82Å; F144-I148 HydrophobicContact CZ-CG1 3.97Å; F144-I148 WeakPolarHBondContact O-CG1 3.43Å; F144-I148 PolarHBondContact O-N 3.31Å; I148-I150 VanDerWaalsContact C-N 3.35Å; I148-I150 PolarHBondContact O-N 3.41Å; I148-R151 PolarHBondContact O-N 2.93Å; I148-E152 HydrophobicContact CG2-CG 4.37Å; I148-E152 WeakPolarHBondContact O-CB 3.39Å; I148-E152 WeakPolarHBondContact O-CG 3.46Å; I148-E152 PolarHBondContact O-N 3.13Å; I148-E320 HydrophobicContact CD1-CB 3.88Å; I148-E320 HydrophobicContact CD1-CG 3.62Å
149L98.7Very high97.5Very high3 Ų316.8 Ų16.82%0.0169%0.087CC..Hα-helixtrans-57.6-46.6175.1-177.563.6000111.4T8 I64 V70 S74 L77 G145 H146 F147 E152 L153T8-L149 HydrophobicContact CG2-CD2 3.86Å; I64-L149 HydrophobicContact CD1-CD2 4.18Å; V70-L149 HydrophobicContact CG1-CB 3.92Å; V70-L149 HydrophobicContact CG1-CD1 4.28Å; S74-L149 WeakPolarHBondContact OG-CD1 3.11Å; L77-L149 HydrophobicContact CD1-CD1 4.24Å; G145-L149 WeakPolarHBondContact O-CB 3.5Å; G145-L149 PolarHBondContact O-N 3.29Å; H146-L149 WeakPolarHBondContact O-CB 3.09Å; H146-L149 PolarHBondContact O-N 2.89Å; F147-L149 VanDerWaalsContact C-N 3.33Å; F147-L149 PolarHBondContact O-N 3.17Å; L149-E152 PolarHBondContact O-N 3.47Å; L149-L153 HydrophobicContact CD1-CD1 3.65Å; L149-L153 HydrophobicContact CD1-CG 4.16Å; L149-L153 HydrophobicContact CG-CD1 3.83Å; L149-L153 WeakPolarHBondContact O-CB 3.43Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 2.78Å
150I98.4Very high96.9Very high4 Ų421 Ų212%0.02112%0.116CC..Hα-helixtrans-63.2-47.3178.6-64.9155.8000110.8L89 H146 F147 I148 E152 L153 E154 L157 L166 W168 L207L89-I150 HydrophobicContact CD1-CD1 3.54Å; L89-I150 HydrophobicContact CD1-CG1 4.21Å; L89-I150 HydrophobicContact CD2-CD1 4.27Å; L89-I150 HydrophobicContact CD2-CG1 4.22Å; H146-I150 WeakPolarHBondContact O-CD1 3.47Å; H146-I150 WeakPolarHBondContact O-CG1 3.32Å; H146-I150 PolarHBondContact O-N 3.39Å; F147-I150 PolarHBondContact O-N 3.43Å; I148-I150 VanDerWaalsContact C-N 3.35Å; I148-I150 PolarHBondContact O-N 3.41Å; I150-E152 VanDerWaalsContact C-N 3.29Å; I150-E152 PolarHBondContact O-N 3Å; I150-L153 CarbonylContact O-C 3.59Å; I150-L153 PolarHBondContact O-N 3.34Å; I150-L153 VanDerWaalsContact O-N 3.13Å; I150-E154 PolarHBondContact O-N 3.32Å; I150-L157 HydrophobicContact CG2-CD1 4.41Å; I150-L166 HydrophobicContact CD1-CD1 4.21Å; I150-L166 HydrophobicContact CG1-CD1 4.31Å; I150-L166 HydrophobicContact CG2-CD1 3.88Å; I150-W168 HydrophobicContact CD1-CH2 3.84Å; I150-W168 HydrophobicContact CD1-CZ2 3.35Å; I150-L207 HydrophobicContact CD1-CD1 3.77Å; I150-L207 HydrophobicContact CG2-CD1 4.43Å; I150-L207 HydrophobicContact CG2-CD2 4.47Å
151R98Very high96.5Very high64 Ų6428.9 Ų28.924%0.24216%0.159CC..Hα-helixtrans-58.3-41.2178.2-67.2-66.8-63.4134.85.4111.7F147 I148 L153 E154 E320F147-R151 HydrophobicContact CD1-CG 4.44Å; F147-R151 HydrophobicContact CD2-CG 4.3Å; F147-R151 HydrophobicContact CE1-CG 4.05Å; F147-R151 HydrophobicContact CE2-CG 3.93Å; F147-R151 HydrophobicContact CZ-CG 3.8Å; F147-R151 WeakPolarHBondContact O-CG 3.47Å; F147-R151 PolarHBondContact O-N 3.45Å; I148-R151 PolarHBondContact O-N 2.93Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 3.1Å; R151-E154 IonicContact CZ-OE2 3.38Å; R151-E154 IonicContact NH1-OE2 3.27Å; R151-E154 PolarHBondContact NH1-OE2 2.68Å; R151-E154 IonicContact NH2-OE2 3.82Å; R151-E154 WeakPolarHBondContact O-CB 3.35Å; R151-E320 IonicContact NE-OE2 3.38Å
152E98.2Very high96.2Very high33 Ų3329.8 Ų29.815%0.15417%0.166CC..Hα-helixtrans-71.6-26.2178.1-76.7-65.6148.700114.3F71 S74 K78 I148 L149 I150 R324F71-E152 HydrophobicContact CD1-CG 3.92Å; F71-E152 HydrophobicContact CE1-CG 4.04Å; S74-E152 WeakPolarHBondContact OG-CB 3.47Å; K78-E152 WeakPolarHBondContact CD-O 3.4Å; K78-E152 PolarHBondContact NZ-O 2.92Å; K78-E152 IonicContact NZ-OE2 2.83Å; K78-E152 PolarHBondContact NZ-OE2 3.32Å; I148-E152 HydrophobicContact CG2-CG 4.37Å; I148-E152 WeakPolarHBondContact O-CB 3.39Å; I148-E152 WeakPolarHBondContact O-CG 3.46Å; I148-E152 PolarHBondContact O-N 3.13Å; L149-E152 PolarHBondContact O-N 3.47Å; I150-E152 VanDerWaalsContact C-N 3.29Å; I150-E152 PolarHBondContact O-N 3Å; E152-R324 IonicContact OE1-CZ 3.2Å; E152-R324 VanDerWaalsContact OE1-CZ 3.23Å; E152-R324 IonicContact OE1-NH1 2.64Å; E152-R324 PolarHBondContact OE1-NH1 2.97Å; E152-R324 IonicContact OE1-NH2 3.75Å; E152-R324 PolarHBondContact OE1-NH2 3.13Å
153L98.3Very high96Very high0 Ų032 Ų320%018%0.18CC..Hα-helixtrans-98.73.1-179.1-62.3178.4000113.4L6 L77 K78 L84 I87 L149 I150 R151 P155 L156 L157L6-L153 HydrophobicContact CD2-CD1 3.94Å; L77-L153 HydrophobicContact CB-CD2 3.72Å; L77-L153 HydrophobicContact CD1-CD1 3.84Å; L77-L153 HydrophobicContact CD1-CD2 3.9Å; L77-L153 HydrophobicContact CD1-CG 4.46Å; L77-L153 HydrophobicContact CG-CD2 4.46Å; K78-L153 HydrophobicContact CG-CD2 4.45Å; L84-L153 HydrophobicContact CD1-CD1 3.95Å; I87-L153 HydrophobicContact CD1-CD1 4.11Å; L149-L153 HydrophobicContact CD1-CD1 3.65Å; L149-L153 HydrophobicContact CD1-CG 4.16Å; L149-L153 HydrophobicContact CG-CD1 3.83Å; L149-L153 WeakPolarHBondContact O-CB 3.43Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å; L149-L153 PolarHBondContact O-N 2.78Å; I150-L153 CarbonylContact O-C 3.59Å; I150-L153 PolarHBondContact O-N 3.34Å; I150-L153 VanDerWaalsContact O-N 3.13Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 3.1Å; L153-P155 VanDerWaalsContact O-N 3.16Å; L153-L156 HydrophobicContact CD2-CD1 3.92Å; L153-L156 PolarHBondContact O-N 2.95Å; L153-L157 HydrophobicContact CB-CD1 4.02Å; L153-L157 HydrophobicContact CB-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CG 3.19Å; L153-L157 PolarHBondContact O-N 3.29Å
154E97.2Very high96Very high52 Ų5232 Ų3224%0.24318%0.18CC..Hα-helixtrans-44.6-44.8174-177.3-175.9161.900112.5I150 R151 L156 L157 C158 F211I150-E154 PolarHBondContact O-N 3.32Å; R151-E154 IonicContact CZ-OE2 3.38Å; R151-E154 IonicContact NH1-OE2 3.27Å; R151-E154 PolarHBondContact NH1-OE2 2.68Å; R151-E154 IonicContact NH2-OE2 3.82Å; R151-E154 WeakPolarHBondContact O-CB 3.35Å; E154-L156 PolarHBondContact O-N 2.78Å; E154-L156 VanDerWaalsContact O-N 3.17Å; E154-L157 PolarHBondContact O-N 3.08Å; E154-L157 VanDerWaalsContact O-N 3.08Å; E154-C158 HydrophobicContact CG-CB 4.49Å; E154-C158 WeakPolarHBondContact O-CB 3.38Å; E154-C158 PolarHBondContact O-N 3.03Å; E154-F211 HydrophobicContact CG-CD1 4.47Å; E154-F211 HydrophobicContact CG-CE1 4.01Å
155P97.1Very high95.9Very high86 Ų8632.3 Ų32.356%0.55818%0.181SC*.Hα-helixtrans-64.9-19.5178.9-22.235.2000115.6L153L153-P155 VanDerWaalsContact O-N 3.16Å
156L97.4Very high95.9Very high11 Ų1132.3 Ų32.36%0.05818%0.182CC..Hα-helixtrans-96.4-10.5177.2-54.4-175000112.7L77 K78 F81 R83 L84 L153 E154 H159L77-L156 HydrophobicContact CB-CD1 4.49Å; K78-L156 HydrophobicContact CG-CD1 4.05Å; K78-L156 HydrophobicContact CG-CD2 4.44Å; K78-L156 HydrophobicContact CG-CG 4.16Å; F81-L156 HydrophobicContact CB-CD1 4.39Å; F81-L156 VanDerWaalsContact O-CD2 3.31Å; F81-L156 WeakPolarHBondContact O-CD2 3.44Å; R83-L156 CarbonylContact C-O 3.59Å; R83-L156 WeakPolarHBondContact CA-O 3.36Å; L84-L156 HydrophobicContact CD1-CB 4.29Å; L84-L156 HydrophobicContact CD1-CD1 4.06Å; L84-L156 HydrophobicContact CG-CB 4.16Å; L84-L156 HydrophobicContact CG-CD1 4.22Å; L84-L156 PolarHBondContact N-O 3.03Å; L153-L156 HydrophobicContact CD2-CD1 3.92Å; L153-L156 PolarHBondContact O-N 2.95Å; E154-L156 PolarHBondContact O-N 2.78Å; E154-L156 VanDerWaalsContact O-N 3.17Å; L156-H159 PolarHBondContact O-NE2 3.11Å
157L97.1Very high95.9Very high0 Ų032.3 Ų32.30%018%0.181CC..Hα-helixtrans-108.5-41.8-169.8-81.3173.1000111.8L84 I87 I150 L153 E154 H159 S164 L166 L216L84-L157 HydrophobicContact CB-CD2 4.16Å; I87-L157 HydrophobicContact CD1-CD1 3.8Å; I87-L157 HydrophobicContact CD1-CD2 3.45Å; I87-L157 VanDerWaalsContact CD1-CD2 3.45Å; I87-L157 HydrophobicContact CD1-CG 3.91Å; I87-L157 HydrophobicContact CG1-CD2 3.84Å; I150-L157 HydrophobicContact CG2-CD1 4.41Å; L153-L157 HydrophobicContact CB-CD1 4.02Å; L153-L157 HydrophobicContact CB-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CG 3.19Å; L153-L157 PolarHBondContact O-N 3.29Å; E154-L157 PolarHBondContact O-N 3.08Å; E154-L157 VanDerWaalsContact O-N 3.08Å; L157-H159 PolarHBondContact O-N 2.99Å; L157-S164 WeakPolarHBondContact O-CB 3.35Å; L157-S164 PolarHBondContact O-OG 2.89Å; L157-L166 HydrophobicContact CD1-CD2 4.03Å; L157-L166 HydrophobicContact CD2-CD2 4.14Å; L157-L216 HydrophobicContact CB-CD1 3.94Å; L157-L216 HydrophobicContact CB-CD2 4.11Å; L157-L216 HydrophobicContact CD1-CD1 4.39Å; L157-L216 HydrophobicContact CD1-CD2 4.24Å; L157-L216 HydrophobicContact CD2-CD1 3.9Å; L157-L216 HydrophobicContact CG-CD1 4.32Å
158C95.4Very high95.9Very high25 Ų2532.4 Ų32.417%0.16918%0.182CC..  trans-85.697.3-174.1-68.90000110.8E154 Q214E154-C158 HydrophobicContact CG-CB 4.49Å; E154-C158 WeakPolarHBondContact O-CB 3.38Å; E154-C158 PolarHBondContact O-N 3.03Å; C158-Q214 CarbonylContact C-O 3.2Å; C158-Q214 WeakPolarHBondContact CA-O 3.5Å; C158-Q214 HydrophobicContact CB-CB 3.96Å
159H91.9Very high95.8Very high56 Ų5632.8 Ų32.826%0.25918%0.184SC..  trans-134.2112.9174.6-58.7-67.4000110L156 L157 D161 S162 Q214L156-H159 PolarHBondContact O-NE2 3.11Å; L157-H159 PolarHBondContact O-N 2.99Å; H159-D161 VanDerWaalsContact C-N 3.28Å; H159-D161 PolarHBondContact O-N 2.49Å; H159-S162 CarbonylContact O-C 3.56Å; H159-S162 PolarHBondContact O-N 2.84Å; H159-Q214 CarbonylContact C-O 3.56Å; H159-Q214 PolarHBondContact N-O 3.18Å; H159-Q214 VanDerWaalsContact N-O 3.09Å
160S84.7Confident95.7Very high92 Ų9232.8 Ų32.864%0.64319%0.185SC*.THydrogen-bonded Turntrans-61.2-33.6-177-58.10000113.8
161D88Confident95.3Very high167 Ų16733.6 Ų33.689%0.89319%0.19SC*.THydrogen-bonded Turntrans-83.7-13.8-176.9-60.1-36.6000113.4H159H159-D161 VanDerWaalsContact C-N 3.28Å; H159-D161 PolarHBondContact O-N 2.49Å
162S90.4Very high94.8Very high28 Ų2833.3 Ų33.320%0.19619%0.189CC..SBendtrans-148.392.6-174.865.60000110.5R83 H159R83-S162 PolarHBondContact NH1-OG 3.28Å; R83-S162 PolarHBondContact NH2-OG 2.87Å; H159-S162 CarbonylContact O-C 3.56Å; H159-S162 PolarHBondContact O-N 2.84Å
163P94.9Very high94.2Very high49 Ų4932.4 Ų32.432%0.31819%0.186SC..  trans-59.5138-173.5-29.938.8000113.7G215 Y217 E277P163-G215 CarbonylContact C-O 3.55Å; P163-G215 WeakPolarHBondContact CA-O 3.49Å; P163-Y217 HydrophobicContact CB-CD2 4.07Å; P163-Y217 HydrophobicContact CB-CE2 3.94Å; P163-Y217 HydrophobicContact CG-CE2 4.39Å; P163-E277 WeakPolarHBondContact CB-OE1 3.34Å; P163-E277 HydrophobicContact CG-CG 4.29Å; P163-E277 WeakPolarHBondContact CG-OE1 3.3Å
164S97.3Very high93.9Very high0 Ų033.2 Ų33.20%019%0.192CC..EExtended strand (participates in β ladder)trans-106.9153.4174.3-54.20000110.4L84 D85 L157 G215 Y217L84-S164 WeakPolarHBondContact O-CB 3.22Å; L84-S164 PolarHBondContact O-OG 3.12Å; L84-S164 VanDerWaalsContact O-OG 3.13Å; D85-S164 WeakPolarHBondContact O-CA 3.45Å; L157-S164 WeakPolarHBondContact O-CB 3.35Å; L157-S164 PolarHBondContact O-OG 2.89Å; S164-G215 PolarHBondContact N-O 3.32Å; S164-Y217 PolarHBondContact O-N 3.43Å
165Q97.6Very high93.5Very high5 Ų532.8 Ų32.82%0.02319%0.188CC..EExtended strand (participates in β ladder)trans-121.5125.4-175.5-161.1-179.923.500112.3D85 C86 I87 I167 Y217 L271 P276D85-Q165 PolarHBondContact O-N 3.18Å; C86-Q165 CarbonylContact C-O 3.57Å; C86-Q165 WeakPolarHBondContact CA-O 3.46Å; I87-Q165 PolarHBondContact N-O 2.95Å; Q165-I167 HydrophobicContact CG-CD1 4.27Å; Q165-I167 HydrophobicContact CG-CG1 3.93Å; Q165-Y217 CarbonylContact C-O 3.55Å; Q165-Y217 WeakPolarHBondContact CA-O 3.44Å; Q165-L271 PolarHBondContact NE2-O 3.3Å; Q165-L271 PolarHBondContact OE1-O 3.14Å; Q165-P276 HydrophobicContact CB-CB 4.37Å; Q165-P276 HydrophobicContact CB-CG 3.93Å; Q165-P276 HydrophobicContact CG-CB 4.2Å; Q165-P276 HydrophobicContact CG-CG 4.11Å
166L98.2Very high93.3Very high1 Ų133.4 Ų33.41%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-94.5129.9164.8-55.6-179.6000109.4I87 I150 L157 L207 L216 Y217 S218 N219I87-L166 HydrophobicContact CB-CD2 3.93Å; I87-L166 HydrophobicContact CD1-CD2 4.26Å; I87-L166 HydrophobicContact CG1-CD2 4.3Å; I150-L166 HydrophobicContact CD1-CD1 4.21Å; I150-L166 HydrophobicContact CG1-CD1 4.31Å; I150-L166 HydrophobicContact CG2-CD1 3.88Å; L157-L166 HydrophobicContact CD1-CD2 4.03Å; L157-L166 HydrophobicContact CD2-CD2 4.14Å; L166-L207 HydrophobicContact CD1-CD1 4.3Å; L166-L216 HydrophobicContact CD1-CD1 4.16Å; L166-L216 HydrophobicContact CD1-CD2 3.99Å; L166-L216 HydrophobicContact CD1-CG 4.12Å; L166-L216 HydrophobicContact CD2-CD1 3.98Å; L166-L216 HydrophobicContact CG-CD1 3.66Å; L166-L216 HydrophobicContact CG-CD2 4.41Å; L166-L216 HydrophobicContact CG-CG 4.14Å; L166-Y217 PolarHBondContact N-O 3Å; L166-S218 WeakPolarHBondContact O-CA 3.49Å; L166-N219 PolarHBondContact O-N 3.39Å
167I98.5Very high93.1Very high0 Ų037.4 Ų37.40%021%0.211CC..EExtended strand (participates in β ladder)trans-124.5109.1178.2-58.7174.7000109.3I87 Y88 L89 Q165 N219 V221 L268 L271I87-I167 PolarHBondContact O-N 3.44Å; Y88-I167 HydrophobicContact CD1-CB 3.7Å; Y88-I167 HydrophobicContact CD1-CD1 4.03Å; Y88-I167 HydrophobicContact CD1-CG1 4.43Å; Y88-I167 HydrophobicContact CD1-CG2 3.74Å; Y88-I167 HydrophobicContact CE1-CB 3.89Å; Y88-I167 HydrophobicContact CE1-CD1 3.35Å; Y88-I167 HydrophobicContact CE1-CG1 4.2Å; Y88-I167 HydrophobicContact CE1-CG2 3.8Å; Y88-I167 HydrophobicContact CE2-CD1 4.33Å; Y88-I167 HydrophobicContact CG-CB 4.45Å; L89-I167 PolarHBondContact N-O 3Å; Q165-I167 HydrophobicContact CG-CD1 4.27Å; Q165-I167 HydrophobicContact CG-CG1 3.93Å; I167-N219 WeakPolarHBondContact CA-O 3.46Å; I167-V221 HydrophobicContact CG2-CB 4.36Å; I167-V221 HydrophobicContact CG2-CG2 3.74Å; I167-L268 HydrophobicContact CG2-CD2 3.66Å; I167-L271 HydrophobicContact CD1-CB 3.88Å; I167-L271 HydrophobicContact CD1-CD1 4.3Å; I167-L271 HydrophobicContact CG1-CD1 4.3Å; I167-L271 HydrophobicContact CG2-CD1 4.05Å
168W98.4Very high92.8Very high2 Ų239.3 Ų39.31%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-85.4130.6177.9-69.687.4000111.6L89 H146 I150 S170 T200 L203 L207 S218 N219 V220 V221L89-W168 HydrophobicContact CB-CD2 4.17Å; L89-W168 HydrophobicContact CB-CE3 3.95Å; L89-W168 HydrophobicContact CB-CZ3 4.33Å; L89-W168 HydrophobicContact CD1-CD2 3.45Å; L89-W168 VanDerWaalsContact CD1-CD2 3.45Å; L89-W168 HydrophobicContact CD1-CE3 3.85Å; L89-W168 HydrophobicContact CD1-CG 3.98Å; L89-W168 HydrophobicContact CD1-CH2 3.87Å; L89-W168 HydrophobicContact CD1-CZ2 3.48Å; L89-W168 VanDerWaalsContact CD1-CZ2 3.48Å; L89-W168 HydrophobicContact CD1-CZ3 4.04Å; L89-W168 HydrophobicContact CG-CD2 4.47Å; H146-W168 HydrophobicContact CB-CH2 3.71Å; H146-W168 HydrophobicContact CB-CZ3 3.73Å; I150-W168 HydrophobicContact CD1-CH2 3.84Å; I150-W168 HydrophobicContact CD1-CZ2 3.35Å; W168-S170 PolarHBondContact O-N 3.37Å; W168-T200 HydrophobicContact CE3-CG2 3.72Å; W168-T200 HydrophobicContact CZ3-CG2 3.86Å; W168-L203 HydrophobicContact CH2-CD2 3.51Å; W168-L203 HydrophobicContact CH2-CG 4.24Å; W168-L203 HydrophobicContact CZ2-CD2 3.73Å; W168-L203 HydrophobicContact CZ2-CG 3.97Å; W168-L203 HydrophobicContact CZ3-CD2 4.44Å; W168-L207 HydrophobicContact CZ2-CD1 3.72Å; W168-S218 VanDerWaalsContact CD1-OG 3.25Å; W168-S218 PolarHBondContact NE1-OG 2.75Å; W168-S218 VanDerWaalsContact NE1-OG 3.09Å; W168-N219 PolarHBondContact N-O 2.57Å; W168-V220 HydrophobicContact CB-CG2 4.43Å; W168-V221 PolarHBondContact O-N 2.84Å
169T96.9Very high92.9Very high11 Ų1139.3 Ų39.37%0.06722%0.218CC..EExtended strand (participates in β ladder)trans-89.292.8170.7-54.40000110.1L89 N90 K197 P223L89-T169 PolarHBondContact O-N 3.19Å; N90-T169 WeakPolarHBondContact CA-OG1 3.5Å; N90-T169 WeakPolarHBondContact CB-OG1 3.48Å; T169-K197 PolarHBondContact O-NZ 3.44Å; T169-P223 HydrophobicContact CG2-CG 3.95Å
170S95.3Very high93.1Very high3 Ų339.3 Ų39.32%0.02123%0.225CC..  trans-89.8-164175.4-174.20000111.7W168 K197 D201 V221 K284W168-S170 PolarHBondContact O-N 3.37Å; S170-K197 PolarHBondContact OG-O 2.88Å; S170-D201 WeakPolarHBondContact CB-OD1 3.48Å; S170-D201 PolarHBondContact OG-OD1 3.23Å; S170-V221 WeakPolarHBondContact CA-O 3.49Å; S170-V221 PolarHBondContact N-O 2.74Å; S170-K284 PolarHBondContact OG-NZ 2.99Å; S170-K284 VanDerWaalsContact OG-NZ 3.13Å
171S90.9Very high93.6Very high20 Ų2036.7 Ų36.714%0.1420%0.203CC..  trans-143159.5-179.8179.40000111.2N173 A174 K284S171-N173 PolarHBondContact O-N 3.2Å; S171-N173 PolarHBondContact OG-N 3.17Å; S171-A174 VanDerWaalsContact O-CB 3.26Å; S171-A174 WeakPolarHBondContact O-CB 3.43Å; S171-A174 PolarHBondContact O-N 3.48Å; S171-K284 PolarHBondContact O-NZ 3.43Å
172R88.1Confident94Very high59 Ų5936.1 Ų36.122%0.22320%0.195CC..THydrogen-bonded Turntrans-64.4-19.6162.7-76.3174-174.9-909.2112.1A174 C222 N255 L286R172-A174 VanDerWaalsContact C-N 3.27Å; R172-C222 PolarHBondContact N-SG 3.15Å; R172-C222 VanDerWaalsContact N-SG 3.41Å; R172-N255 PolarHBondContact NH2-OD1 3.26Å; R172-L286 HydrophobicContact CG-CD2 3.77Å
173N85.1Confident94.2Very high14 Ų1436 Ų368%0.07519%0.193CC..THydrogen-bonded Turntrans-85.26.8175.2-155.931.8000113.3S171 R175 S194S171-N173 PolarHBondContact O-N 3.2Å; S171-N173 PolarHBondContact OG-N 3.17Å; N173-R175 PolarHBondContact O-N 3.08Å; N173-R175 VanDerWaalsContact O-N 3.09Å; N173-R175 PolarHBondContact OD1-NE 3.01Å; N173-R175 VanDerWaalsContact OD1-NE 3.13Å; N173-S194 WeakPolarHBondContact O-CA 3.4Å; N173-S194 VanDerWaalsContact O-CB 3.31Å; N173-S194 WeakPolarHBondContact O-CB 3.46Å; N173-S194 PolarHBondContact O-OG 3.47Å
174A90.8Very high94.3Very high16 Ų1635.3 Ų35.313%0.13218%0.184CC..  trans-71.497.8171.500000109.6S171 R172 K197 D201S171-A174 VanDerWaalsContact O-CB 3.26Å; S171-A174 WeakPolarHBondContact O-CB 3.43Å; S171-A174 PolarHBondContact O-N 3.48Å; R172-A174 VanDerWaalsContact C-N 3.27Å; A174-K197 VanDerWaalsContact CB-C 3.43Å; A174-K197 HydrophobicContact CB-CB 3.82Å; A174-K197 WeakPolarHBondContact CB-O 3.3Å; A174-D201 VanDerWaalsContact CB-OD2 3.26Å; A174-D201 WeakPolarHBondContact CB-OD2 3.35Å
175R90Very high94.2Very high43 Ų4337.2 Ų37.216%0.16219%0.193CC..  trans-121.7131.1-169.1-68.6170.8175.5-130-0.1111.7H115 T119 E121 N173 S177 N178H115-R175 PolarHBondContact NE2-NH2 3.03Å; H115-R175 VanDerWaalsContact NE2-NH2 3.18Å; T119-R175 PolarHBondContact OG1-NH2 3.12Å; E121-R175 IonicContact OE1-CZ 3.96Å; E121-R175 IonicContact OE1-NH1 3.65Å; E121-R175 PolarHBondContact OE1-NH1 3.26Å; E121-R175 IonicContact OE1-NH2 3.23Å; E121-R175 IonicContact OE2-CZ 2.78Å; E121-R175 IonicContact OE2-NH1 3.46Å; E121-R175 PolarHBondContact OE2-NH1 3.18Å; E121-R175 IonicContact OE2-NH2 2.68Å; E121-R175 PolarHBondContact OE2-NH2 2.68Å; N173-R175 PolarHBondContact O-N 3.08Å; N173-R175 VanDerWaalsContact O-N 3.09Å; N173-R175 PolarHBondContact OD1-NE 3.01Å; N173-R175 VanDerWaalsContact OD1-NE 3.13Å; R175-S177 VanDerWaalsContact C-N 3.25Å; R175-S177 PolarHBondContact O-N 3.26Å; R175-N178 PolarHBondContact O-N 3.31Å; R175-N178 VanDerWaalsContact O-N 3.14Å
176K93.3Very high94.1Very high100 Ų10037.9 Ų37.944%0.43520%0.197SC..G310 helixtrans-57-38174.3-174172.8-176.8174.30112.8N178 F179 Y198K176-N178 PolarHBondContact O-N 2.87Å; K176-N178 VanDerWaalsContact O-N 3.12Å; K176-F179 PolarHBondContact O-N 3.2Å; K176-F179 VanDerWaalsContact O-N 3.16Å; K176-Y198 HydrophobicContact CB-CD2 4.41Å; K176-Y198 HydrophobicContact CB-CE1 4.23Å; K176-Y198 HydrophobicContact CB-CE2 3.69Å; K176-Y198 HydrophobicContact CG-CE1 4.24Å; K176-Y198 HydrophobicContact CG-CE2 4.41Å; K176-Y198 WeakPolarHBondContact CG-OH 3.45Å
177S92.7Very high93.8Very high95 Ų9540.9 Ų40.966%0.66422%0.217SC*.G310 helixtrans-61-22-179.863.70000114.2R175R175-S177 VanDerWaalsContact C-N 3.25Å; R175-S177 PolarHBondContact O-N 3.26Å
178N91.3Very high93.4Very high39 Ų3949.8 Ų49.821%0.20926%0.256CS..G310 helixtrans-103.88-176-67.2-9.5000112R175 K176 H186 E191 S194 S195R175-N178 PolarHBondContact O-N 3.31Å; R175-N178 VanDerWaalsContact O-N 3.14Å; K176-N178 PolarHBondContact O-N 2.87Å; K176-N178 VanDerWaalsContact O-N 3.12Å; N178-H186 PolarHBondContact O-CE1 3.14Å; N178-H186 PolarHBondContact O-ND1 3.28Å; N178-H186 VanDerWaalsContact O-ND1 3.17Å; N178-E191 HydrophobicContact CB-CB 4.41Å; N178-S194 WeakPolarHBondContact ND2-CB 3.38Å; N178-S194 PolarHBondContact ND2-OG 3.31Å; N178-S195 WeakPolarHBondContact O-CB 3.36Å; N178-S195 PolarHBondContact O-OG 3.01Å; N178-S195 VanDerWaalsContact O-OG 3.06Å
179F95.8Very high92.9Very high26 Ų2651.3 Ų51.311%0.11427%0.273CS..  trans-120.7141.9179.9177.6-95.3000110.8K176 L181 F184 Y198 A199 L202 F312K176-F179 PolarHBondContact O-N 3.2Å; K176-F179 VanDerWaalsContact O-N 3.16Å; F179-L181 HydrophobicContact CE1-CD2 3.87Å; F179-L181 HydrophobicContact CE1-CG 4.08Å; F179-L181 HydrophobicContact CZ-CD2 4.12Å; F179-F184 HydrophobicContact CE2-CB 3.97Å; F179-F184 HydrophobicContact CZ-CB 4.05Å; F179-Y198 HydrophobicContact CB-CD1 3.39Å; F179-Y198 HydrophobicContact CB-CE1 4.07Å; F179-Y198 HydrophobicContact CB-CG 4.14Å; F179-Y198 AromaticContact CD1-CD1 3.78Å; F179-Y198 HydrophobicContact CD1-CD1 3.78Å; F179-Y198 AromaticContact CD1-CE1 3.9Å; F179-Y198 HydrophobicContact CD1-CE1 3.9Å; F179-Y198 HydrophobicContact CD2-CD1 4.26Å; F179-Y198 AromaticContact CG-CD1 3.55Å; F179-Y198 HydrophobicContact CG-CD1 3.55Å; F179-Y198 HydrophobicContact CG-CE1 4.14Å; F179-A199 HydrophobicContact CD2-CB 4.15Å; F179-A199 HydrophobicContact CE2-CB 3.81Å; F179-L202 HydrophobicContact CD1-CD1 3.94Å; F179-L202 HydrophobicContact CE1-CD1 3.48Å; F179-L202 VanDerWaalsContact CE1-CD1 3.48Å; F179-L202 HydrophobicContact CE2-CD1 4.47Å; F179-L202 HydrophobicContact CZ-CD1 3.79Å; F179-F312 HydrophobicContact CE2-CD2 4.43Å; F179-F312 HydrophobicContact CE2-CE2 4.28Å; F179-F312 AromaticContact CZ-CD2 3.83Å; F179-F312 HydrophobicContact CZ-CD2 3.83Å; F179-F312 HydrophobicContact CZ-CE2 4.14Å; F179-F312 HydrophobicContact CZ-CG 4.14Å
180S96.3Very high92.4Very high56 Ų5658.9 Ų58.939%0.39231%0.305SS..  trans-135.2132.5174.3176.70000109.7E182 D183 F184S180-E182 PolarHBondContact O-N 3.4Å; S180-E182 PolarHBondContact OG-N 3.16Å; S180-D183 CarbonylContact O-C 3.52Å; S180-D183 PolarHBondContact O-N 3.01Å; S180-F184 VanDerWaalsContact O-CA 3.23Å; S180-F184 WeakPolarHBondContact O-CA 3.48Å; S180-F184 PolarHBondContact O-N 2.79Å
181L95.8Very high92Very high36 Ų3660.4 Ų60.419%0.18831%0.311CS..THydrogen-bonded Turntrans-64.8-23.7174.5-79.4176.4000113.1F179 F184 T308 K311 F312 K315F179-L181 HydrophobicContact CE1-CD2 3.87Å; F179-L181 HydrophobicContact CE1-CG 4.08Å; F179-L181 HydrophobicContact CZ-CD2 4.12Å; L181-F184 WeakPolarHBondContact O-CD1 3.44Å; L181-T308 HydrophobicContact CD1-CG2 3.99Å; L181-T308 HydrophobicContact CD2-CG2 4.32Å; L181-T308 HydrophobicContact CG-CG2 4.18Å; L181-K311 HydrophobicContact CD1-CB 4.26Å; L181-K311 HydrophobicContact CD1-CD 4.44Å; L181-F312 HydrophobicContact CD2-CB 3.8Å; L181-F312 HydrophobicContact CD2-CD2 4.46Å; L181-K315 WeakPolarHBondContact O-CD 3.32Å; L181-K315 WeakPolarHBondContact O-CE 3.42Å; L181-K315 PolarHBondContact O-NZ 3.35Å
182E95.9Very high92.1Very high155 Ų15559.6 Ų59.672%0.72431%0.306SS*.THydrogen-bonded Turntrans-87.1-15.7178.2-55.6-51.8160.200113.3S180 K315S180-E182 PolarHBondContact O-N 3.4Å; S180-E182 PolarHBondContact OG-N 3.16Å; E182-K315 IonicContact OE2-NZ 2.91Å; E182-K315 PolarHBondContact OE2-NZ 3.3Å
183D96Very high92.3Very high27 Ų2758.3 Ų58.314%0.14430%0.301CS..SBendtrans-13657.2174-175.225.8000109.2S180 Q185 H186 S187 K188S180-D183 CarbonylContact O-C 3.52Å; S180-D183 PolarHBondContact O-N 3.01Å; D183-Q185 PolarHBondContact O-N 3.3Å; D183-H186 WeakPolarHBondContact O-CA 3.45Å; D183-H186 PolarHBondContact O-N 3.41Å; D183-H186 PolarHBondContact OD1-N 3.4Å; D183-S187 WeakPolarHBondContact OD1-CB 3.21Å; D183-S187 PolarHBondContact OD1-N 3.43Å; D183-S187 PolarHBondContact OD1-OG 2.88Å; D183-S187 PolarHBondContact OD2-N 2.86Å; D183-S187 VanDerWaalsContact OD2-N 3.17Å; D183-K188 WeakPolarHBondContact OD2-CB 3.48Å; D183-K188 PolarHBondContact OD2-N 2.86Å
184F95.8Very high92.7Very high33 Ų3357.7 Ų57.715%0.14530%0.297CS..THydrogen-bonded Turntrans-69.4-14.6-173.961.2-99.5000113.2F139 F179 S180 L181 H186 F312 K315 L319F139-F184 HydrophobicContact CD2-CD2 4.47Å; F139-F184 WeakPolarHBondContact CD2-O 3.37Å; F139-F184 HydrophobicContact CE1-CD2 4.44Å; F139-F184 HydrophobicContact CE1-CE2 4.21Å; F139-F184 AromaticContact CE2-CD2 3.69Å; F139-F184 HydrophobicContact CE2-CD2 3.69Å; F139-F184 HydrophobicContact CE2-CE2 4.21Å; F139-F184 AromaticContact CZ-CD2 3.66Å; F139-F184 HydrophobicContact CZ-CD2 3.66Å; F139-F184 AromaticContact CZ-CE2 3.68Å; F139-F184 HydrophobicContact CZ-CE2 3.68Å; F179-F184 HydrophobicContact CE2-CB 3.97Å; F179-F184 HydrophobicContact CZ-CB 4.05Å; S180-F184 VanDerWaalsContact O-CA 3.23Å; S180-F184 WeakPolarHBondContact O-CA 3.48Å; S180-F184 PolarHBondContact O-N 2.79Å; L181-F184 WeakPolarHBondContact O-CD1 3.44Å; F184-H186 VanDerWaalsContact C-N 3.32Å; F184-F312 HydrophobicContact CB-CD2 4.11Å; F184-F312 HydrophobicContact CB-CE2 3.75Å; F184-F312 HydrophobicContact CD2-CE2 4.02Å; F184-F312 HydrophobicContact CG-CD2 4.46Å; F184-F312 HydrophobicContact CG-CE2 4.04Å; F184-K315 HydrophobicContact CD1-CD 3.87Å; F184-K315 HydrophobicContact CE1-CB 4.18Å; F184-K315 HydrophobicContact CE1-CD 4Å; F184-L319 HydrophobicContact CE2-CD2 4.03Å; F184-L319 HydrophobicContact CZ-CD2 4.38Å
185Q96.1Very high92.9Very high41 Ų4157 Ų5719%0.19229%0.292CS..THydrogen-bonded Turntrans-83.1-10.5169.5-57.7-165.437.300112.9Q136 F139 D183 S187Q136-Q185 HydrophobicContact CB-CB 4.07Å; Q136-Q185 WeakPolarHBondContact CB-O 3.34Å; Q136-Q185 HydrophobicContact CG-CB 3.82Å; Q136-Q185 WeakPolarHBondContact CG-O 3.41Å; F139-Q185 HydrophobicContact CB-CB 4.29Å; F139-Q185 HydrophobicContact CD1-CB 4.18Å; F139-Q185 HydrophobicContact CD1-CG 3.65Å; F139-Q185 HydrophobicContact CD2-CG 4.49Å; F139-Q185 HydrophobicContact CE1-CG 3.81Å; F139-Q185 HydrophobicContact CG-CB 4.12Å; F139-Q185 HydrophobicContact CG-CG 4.01Å; F139-Q185 HydrophobicContact CZ-CG 4.31Å; D183-Q185 PolarHBondContact O-N 3.3Å; Q185-S187 VanDerWaalsContact C-N 3.32Å; Q185-S187 PolarHBondContact O-N 3.07Å
186H95Very high93.2Very high19 Ų1955 Ų559%0.08829%0.285CS..  trans62.133.4-177.6-147.673.7000114.8N178 D183 F184 K188 G189 E191 P192 S195N178-H186 PolarHBondContact O-CE1 3.14Å; N178-H186 PolarHBondContact O-ND1 3.28Å; N178-H186 VanDerWaalsContact O-ND1 3.17Å; D183-H186 WeakPolarHBondContact O-CA 3.45Å; D183-H186 PolarHBondContact O-N 3.41Å; D183-H186 PolarHBondContact OD1-N 3.4Å; F184-H186 VanDerWaalsContact C-N 3.32Å; H186-K188 VanDerWaalsContact C-N 3.25Å; H186-K188 PolarHBondContact O-N 2.85Å; H186-G189 WeakPolarHBondContact NE2-CA 3Å; H186-G189 PolarHBondContact O-N 2.78Å; H186-E191 VanDerWaalsContact CD2-C 3.43Å; H186-E191 VanDerWaalsContact NE2-C 3.27Å; H186-E191 PolarHBondContact NE2-N 3.45Å; H186-E191 PolarHBondContact NE2-O 3.09Å; H186-P192 HydrophobicContact CB-CB 4.31Å; H186-P192 WeakPolarHBondContact CD2-CA 3.45Å; H186-S195 VanDerWaalsContact ND1-CB 3.27Å; H186-S195 WeakPolarHBondContact ND1-CB 3.46Å; H186-S195 PolarHBondContact ND1-OG 3.41Å; H186-S195 VanDerWaalsContact ND1-OG 3.1Å
187S92.7Very high93.3Very high63 Ų6350.7 Ų50.744%0.44127%0.266SS..THydrogen-bonded Turntrans-62.5-28.5-175.962.90000113.8D183 Q185D183-S187 WeakPolarHBondContact OD1-CB 3.21Å; D183-S187 PolarHBondContact OD1-N 3.43Å; D183-S187 PolarHBondContact OD1-OG 2.88Å; D183-S187 PolarHBondContact OD2-N 2.86Å; D183-S187 VanDerWaalsContact OD2-N 3.17Å; Q185-S187 VanDerWaalsContact C-N 3.32Å; Q185-S187 PolarHBondContact O-N 3.07Å
188K90Very high93.6Very high188 Ų18846.5 Ų46.582%0.81724%0.235SC*.THydrogen-bonded Turntrans-103.4-3.7-178.2-60.2174.1-173.3171.70113D183 H186D183-K188 WeakPolarHBondContact OD2-CB 3.48Å; D183-K188 PolarHBondContact OD2-N 2.86Å; H186-K188 VanDerWaalsContact C-N 3.25Å; H186-K188 PolarHBondContact O-N 2.85Å
189G86.5Confident93.9Very high34 Ų3444.6 Ų44.635%0.35123%0.226SC..  trans-95.1170.7-173.500000114.2H186H186-G189 WeakPolarHBondContact NE2-CA 3Å; H186-G189 PolarHBondContact O-N 2.78Å
190K86.5Confident94Very high170 Ų17043.5 Ų43.574%0.73922%0.221SC*.SBendtrans-106.9-4.9-179.5-62.1-176.9-178.9178.70114.5P192K190-P192 WeakPolarHBondContact O-CD 3.27Å
191E88.4Confident94.1Very high34 Ų3441 Ų4116%0.15920%0.203CC..  trans-127.650.9-171.3-69.8-75.7-171.500112.2N178 H186 Y193 S194 S195N178-E191 HydrophobicContact CB-CB 4.41Å; H186-E191 VanDerWaalsContact CD2-C 3.43Å; H186-E191 VanDerWaalsContact NE2-C 3.27Å; H186-E191 PolarHBondContact NE2-N 3.45Å; H186-E191 PolarHBondContact NE2-O 3.09Å; E191-Y193 VanDerWaalsContact C-N 3.27Å; E191-Y193 PolarHBondContact O-N 3.4Å; E191-S194 PolarHBondContact O-N 3.17Å; E191-S194 VanDerWaalsContact O-N 3.16Å; E191-S195 PolarHBondContact O-N 3.45Å
192P92.3Very high94.2Very high4 Ų439.2 Ų39.23%0.02619%0.194CC..Hα-helixtrans-59.7-35-173.125.6-35.6000112.7Q126 D128 V138 H186 K190 S195 S196Q126-P192 HydrophobicContact CB-CG 3.97Å; D128-P192 HydrophobicContact CB-CB 4.46Å; D128-P192 HydrophobicContact CB-CG 4.21Å; V138-P192 HydrophobicContact CB-CB 4.03Å; V138-P192 HydrophobicContact CG1-CB 4.18Å; V138-P192 HydrophobicContact CG2-CB 4.12Å; V138-P192 HydrophobicContact CG2-CG 4.25Å; H186-P192 HydrophobicContact CB-CB 4.31Å; H186-P192 WeakPolarHBondContact CD2-CA 3.45Å; K190-P192 WeakPolarHBondContact O-CD 3.27Å; P192-S195 PolarHBondContact O-N 3.4Å; P192-S196 WeakPolarHBondContact O-CB 3.42Å; P192-S196 PolarHBondContact O-N 3.22Å; P192-S196 PolarHBondContact O-OG 3.36Å
193Y92.2Very high94.4Very high32 Ų3231.9 Ų31.913%0.12516%0.159CC..Hα-helixtrans-63.2-48.7175.5178.9-104.1000112.1I93 M94 E191 S195 S196 K197I93-Y193 WeakPolarHBondContact O-CD2 3.42Å; M94-Y193 HydrophobicContact CB-CD2 3.81Å; M94-Y193 HydrophobicContact CB-CE2 4.22Å; M94-Y193 HydrophobicContact CB-CG 4.15Å; M94-Y193 HydrophobicContact CG-CD1 4.45Å; M94-Y193 HydrophobicContact CG-CD2 4.13Å; M94-Y193 HydrophobicContact CG-CG 3.94Å; M94-Y193 HydrophobicContact SD-CD1 3.91Å; M94-Y193 HydrophobicContact SD-CD2 4.47Å; M94-Y193 HydrophobicContact SD-CE1 4.26Å; M94-Y193 HydrophobicContact SD-CG 4.03Å; E191-Y193 VanDerWaalsContact C-N 3.27Å; E191-Y193 PolarHBondContact O-N 3.4Å; Y193-S195 VanDerWaalsContact C-N 3.32Å; Y193-S195 PolarHBondContact O-N 2.88Å; Y193-S196 PolarHBondContact O-N 3.22Å; Y193-S196 PolarHBondContact O-OG 3.44Å; Y193-K197 HydrophobicContact CD1-CG 4.4Å; Y193-K197 HydrophobicContact CD2-CG 4.32Å; Y193-K197 HydrophobicContact CE1-CG 4.03Å; Y193-K197 HydrophobicContact CE2-CD 4.22Å; Y193-K197 HydrophobicContact CE2-CG 3.95Å; Y193-K197 WeakPolarHBondContact O-CG 3.45Å; Y193-K197 PolarHBondContact O-N 3.35Å; Y193-K197 WeakPolarHBondContact OH-CE 3.42Å
194S92.6Very high94.5Very high0 Ų030.6 Ų30.60%015%0.152CC..Hα-helixtrans-59.5-44.9178.8-179.80000111.4N173 N178 E191 K197 Y198N173-S194 WeakPolarHBondContact O-CA 3.4Å; N173-S194 VanDerWaalsContact O-CB 3.31Å; N173-S194 WeakPolarHBondContact O-CB 3.46Å; N173-S194 PolarHBondContact O-OG 3.47Å; N178-S194 WeakPolarHBondContact ND2-CB 3.38Å; N178-S194 PolarHBondContact ND2-OG 3.31Å; E191-S194 PolarHBondContact O-N 3.17Å; E191-S194 VanDerWaalsContact O-N 3.16Å; S194-K197 PolarHBondContact O-N 3Å; S194-Y198 PolarHBondContact O-N 3.35Å
195S95.3Very high94.6Very high1 Ų129.3 Ų29.31%0.00715%0.147CC..Hα-helixtrans-58.2-50.1174.3-168.60000111.7N178 H186 E191 P192 Y193 K197 Y198 A199N178-S195 WeakPolarHBondContact O-CB 3.36Å; N178-S195 PolarHBondContact O-OG 3.01Å; N178-S195 VanDerWaalsContact O-OG 3.06Å; H186-S195 VanDerWaalsContact ND1-CB 3.27Å; H186-S195 WeakPolarHBondContact ND1-CB 3.46Å; H186-S195 PolarHBondContact ND1-OG 3.41Å; H186-S195 VanDerWaalsContact ND1-OG 3.1Å; E191-S195 PolarHBondContact O-N 3.45Å; P192-S195 PolarHBondContact O-N 3.4Å; Y193-S195 VanDerWaalsContact C-N 3.32Å; Y193-S195 PolarHBondContact O-N 2.88Å; S195-K197 VanDerWaalsContact C-N 3.33Å; S195-K197 PolarHBondContact O-N 3.42Å; S195-Y198 WeakPolarHBondContact O-CB 3.2Å; S195-Y198 PolarHBondContact O-N 2.88Å; S195-Y198 VanDerWaalsContact O-N 3.15Å; S195-A199 PolarHBondContact O-N 3.3Å
196S96.9Very high94.7Very high3 Ų327.4 Ų27.42%0.02114%0.139CC..Hα-helixtrans-61.7-37.6179.575.20000112.9N142 V143 P192 Y193 A199 T200N142-S196 PolarHBondContact ND2-OG 2.97Å; V143-S196 WeakPolarHBondContact CG2-O 3.14Å; P192-S196 WeakPolarHBondContact O-CB 3.42Å; P192-S196 PolarHBondContact O-N 3.22Å; P192-S196 PolarHBondContact O-OG 3.36Å; Y193-S196 PolarHBondContact O-N 3.22Å; Y193-S196 PolarHBondContact O-OG 3.44Å; S196-A199 WeakPolarHBondContact O-CB 3.4Å; S196-A199 PolarHBondContact O-N 2.93Å; S196-T200 WeakPolarHBondContact O-CG2 3.42Å; S196-T200 PolarHBondContact O-N 3.45Å
197K96.3Very high94.9Very high9 Ų926.6 Ų26.64%0.03914%0.135CC..Hα-helixtrans-73.6-29.4178.1-63.9-54.4-1741790112.4T169 S170 A174 Y193 S194 S195 T200 D201T169-K197 PolarHBondContact O-NZ 3.44Å; S170-K197 PolarHBondContact OG-O 2.88Å; A174-K197 VanDerWaalsContact CB-C 3.43Å; A174-K197 HydrophobicContact CB-CB 3.82Å; A174-K197 WeakPolarHBondContact CB-O 3.3Å; Y193-K197 HydrophobicContact CD1-CG 4.4Å; Y193-K197 HydrophobicContact CD2-CG 4.32Å; Y193-K197 HydrophobicContact CE1-CG 4.03Å; Y193-K197 HydrophobicContact CE2-CD 4.22Å; Y193-K197 HydrophobicContact CE2-CG 3.95Å; Y193-K197 WeakPolarHBondContact O-CG 3.45Å; Y193-K197 PolarHBondContact O-N 3.35Å; Y193-K197 WeakPolarHBondContact OH-CE 3.42Å; S194-K197 PolarHBondContact O-N 3Å; S195-K197 VanDerWaalsContact C-N 3.33Å; S195-K197 PolarHBondContact O-N 3.42Å; K197-T200 WeakPolarHBondContact CA-OG1 3.49Å; K197-T200 PolarHBondContact O-OG1 2.81Å; K197-D201 PolarHBondContact O-N 3.43Å
198Y97.6Very high95.1Very high6 Ų624.3 Ų24.32%0.02412%0.118CC..Hα-helixtrans-69.5-41.1167.9-170.2-102.8000111.6K176 F179 S194 S195 T200 D201 L202 D303 L304K176-Y198 HydrophobicContact CB-CD2 4.41Å; K176-Y198 HydrophobicContact CB-CE1 4.23Å; K176-Y198 HydrophobicContact CB-CE2 3.69Å; K176-Y198 HydrophobicContact CG-CE1 4.24Å; K176-Y198 HydrophobicContact CG-CE2 4.41Å; K176-Y198 WeakPolarHBondContact CG-OH 3.45Å; F179-Y198 HydrophobicContact CB-CD1 3.39Å; F179-Y198 HydrophobicContact CB-CE1 4.07Å; F179-Y198 HydrophobicContact CB-CG 4.14Å; F179-Y198 AromaticContact CD1-CD1 3.78Å; F179-Y198 HydrophobicContact CD1-CD1 3.78Å; F179-Y198 AromaticContact CD1-CE1 3.9Å; F179-Y198 HydrophobicContact CD1-CE1 3.9Å; F179-Y198 HydrophobicContact CD2-CD1 4.26Å; F179-Y198 AromaticContact CG-CD1 3.55Å; F179-Y198 HydrophobicContact CG-CD1 3.55Å; F179-Y198 HydrophobicContact CG-CE1 4.14Å; S194-Y198 PolarHBondContact O-N 3.35Å; S195-Y198 WeakPolarHBondContact O-CB 3.2Å; S195-Y198 PolarHBondContact O-N 2.88Å; S195-Y198 VanDerWaalsContact O-N 3.15Å; Y198-T200 VanDerWaalsContact C-N 3.3Å; Y198-T200 PolarHBondContact O-N 3.34Å; Y198-D201 WeakPolarHBondContact O-CB 3.19Å; Y198-D201 PolarHBondContact O-N 3Å; Y198-L202 HydrophobicContact CD1-CD1 3.86Å; Y198-L202 HydrophobicContact CD1-CG 4.17Å; Y198-L202 HydrophobicContact CE1-CD1 3.64Å; Y198-L202 HydrophobicContact CE1-CD2 4.19Å; Y198-L202 HydrophobicContact CE1-CG 3.88Å; Y198-L202 PolarHBondContact O-N 2.8Å; Y198-D303 VanDerWaalsContact CE2-O 3.26Å; Y198-D303 WeakPolarHBondContact CE2-O 3.35Å; Y198-D303 PolarHBondContact OH-O 3.06Å; Y198-L304 HydrophobicContact CE2-CB 4.39Å; Y198-L304 WeakPolarHBondContact OH-CA 3.45Å
199A98.1Very high95.4Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-59.9-37.9174.300000112.3V143 F179 S195 S196 D201 L202 L203 F312V143-A199 HydrophobicContact CG1-CB 4.3Å; V143-A199 HydrophobicContact CG2-CB 3.99Å; F179-A199 HydrophobicContact CD2-CB 4.15Å; F179-A199 HydrophobicContact CE2-CB 3.81Å; S195-A199 PolarHBondContact O-N 3.3Å; S196-A199 WeakPolarHBondContact O-CB 3.4Å; S196-A199 PolarHBondContact O-N 2.93Å; A199-D201 VanDerWaalsContact C-N 3.31Å; A199-D201 PolarHBondContact O-N 2.98Å; A199-L202 PolarHBondContact O-N 2.94Å; A199-L203 VanDerWaalsContact O-CB 3.27Å; A199-L203 WeakPolarHBondContact O-CB 3.44Å; A199-L203 PolarHBondContact O-N 3.26Å; A199-F312 HydrophobicContact CB-CE1 3.81Å; A199-F312 HydrophobicContact CB-CZ 3.75Å; A199-F312 WeakPolarHBondContact O-CE1 3.34Å
200T98Very high95.9Very high2 Ų223 Ų231%0.01210%0.102CC..Hα-helixtrans-63.7-35.1172.756.90000113N142 V143 W168 S196 K197 Y198 S204N142-T200 WeakPolarHBondContact O-CG2 3.23Å; V143-T200 HydrophobicContact CG2-CG2 4.04Å; W168-T200 HydrophobicContact CE3-CG2 3.72Å; W168-T200 HydrophobicContact CZ3-CG2 3.86Å; S196-T200 WeakPolarHBondContact O-CG2 3.42Å; S196-T200 PolarHBondContact O-N 3.45Å; K197-T200 WeakPolarHBondContact CA-OG1 3.49Å; K197-T200 PolarHBondContact O-OG1 2.81Å; Y198-T200 VanDerWaalsContact C-N 3.3Å; Y198-T200 PolarHBondContact O-N 3.34Å; T200-S204 WeakPolarHBondContact O-CB 2.95Å; T200-S204 PolarHBondContact O-N 3.47Å
201D98.3Very high96.4Very high3 Ų315.4 Ų15.42%0.0167%0.069CC..Hα-helixtrans-66.5-48.5177.1-64.6-9.6000110.7S170 A174 K197 Y198 A199 L203 S204 V205 V220 K284 M302 L304S170-D201 WeakPolarHBondContact CB-OD1 3.48Å; S170-D201 PolarHBondContact OG-OD1 3.23Å; A174-D201 VanDerWaalsContact CB-OD2 3.26Å; A174-D201 WeakPolarHBondContact CB-OD2 3.35Å; K197-D201 PolarHBondContact O-N 3.43Å; Y198-D201 WeakPolarHBondContact O-CB 3.19Å; Y198-D201 PolarHBondContact O-N 3Å; A199-D201 VanDerWaalsContact C-N 3.31Å; A199-D201 PolarHBondContact O-N 2.98Å; D201-L203 VanDerWaalsContact C-N 3.34Å; D201-L203 PolarHBondContact O-N 2.98Å; D201-S204 PolarHBondContact O-N 3.12Å; D201-V205 WeakPolarHBondContact O-CG2 3.44Å; D201-V205 PolarHBondContact O-N 3.41Å; D201-V220 WeakPolarHBondContact OD1-CG1 3.2Å; D201-K284 VanDerWaalsContact CG-NZ 3.3Å; D201-K284 VanDerWaalsContact OD1-CE 3.3Å; D201-K284 WeakPolarHBondContact OD1-CE 3.39Å; D201-K284 IonicContact OD1-NZ 2.7Å; D201-K284 PolarHBondContact OD1-NZ 3.28Å; D201-K284 VanDerWaalsContact OD2-CE 3.31Å; D201-K284 WeakPolarHBondContact OD2-CE 3.46Å; D201-K284 IonicContact OD2-NZ 3.91Å; D201-K284 PolarHBondContact OD2-NZ 3.35Å; D201-M302 HydrophobicContact CB-SD 3.72Å; D201-L304 HydrophobicContact CB-CD2 3.99Å
202L98.5Very high96.8Very high0 Ų016.2 Ų16.20%07%0.074CC..Hα-helixtrans-56.9-48.8174.8-71.3175.4000111F179 Y198 A199 S204 V205 A206 L304 T308 A309 F312F179-L202 HydrophobicContact CD1-CD1 3.94Å; F179-L202 HydrophobicContact CE1-CD1 3.48Å; F179-L202 VanDerWaalsContact CE1-CD1 3.48Å; F179-L202 HydrophobicContact CE2-CD1 4.47Å; F179-L202 HydrophobicContact CZ-CD1 3.79Å; Y198-L202 HydrophobicContact CD1-CD1 3.86Å; Y198-L202 HydrophobicContact CD1-CG 4.17Å; Y198-L202 HydrophobicContact CE1-CD1 3.64Å; Y198-L202 HydrophobicContact CE1-CD2 4.19Å; Y198-L202 HydrophobicContact CE1-CG 3.88Å; Y198-L202 PolarHBondContact O-N 2.8Å; A199-L202 PolarHBondContact O-N 2.94Å; L202-S204 PolarHBondContact O-N 2.86Å; L202-V205 PolarHBondContact O-N 3.19Å; L202-A206 PolarHBondContact O-N 3.35Å; L202-L304 HydrophobicContact CD2-CB 3.82Å; L202-L304 HydrophobicContact CD2-CD2 4.48Å; L202-T308 HydrophobicContact CD1-CG2 4.2Å; L202-T308 HydrophobicContact CD2-CG2 4.15Å; L202-A309 HydrophobicContact CB-CB 4.23Å; L202-A309 HydrophobicContact CD2-CB 3.9Å; L202-A309 WeakPolarHBondContact O-CB 3.28Å; L202-F312 HydrophobicContact CB-CD1 3.95Å; L202-F312 HydrophobicContact CD1-CB 4.47Å; L202-F312 HydrophobicContact CD1-CD1 4.4Å
203L98.5Very high96.9Very high0 Ų024.6 Ų24.60%011%0.113CC..Hα-helixtrans-63.8-40-178.1-177.355.5000112.2V143 F147 W168 A199 D201 V205 A206 L207 F312 Y313 L316V143-L203 HydrophobicContact CG1-CD2 3.96Å; F147-L203 HydrophobicContact CB-CD2 3.96Å; F147-L203 HydrophobicContact CD2-CD1 3.92Å; F147-L203 HydrophobicContact CD2-CD2 4.11Å; F147-L203 HydrophobicContact CE2-CD1 4.33Å; F147-L203 HydrophobicContact CG-CD2 4.45Å; W168-L203 HydrophobicContact CH2-CD2 3.51Å; W168-L203 HydrophobicContact CH2-CG 4.24Å; W168-L203 HydrophobicContact CZ2-CD2 3.73Å; W168-L203 HydrophobicContact CZ2-CG 3.97Å; W168-L203 HydrophobicContact CZ3-CD2 4.44Å; A199-L203 VanDerWaalsContact O-CB 3.27Å; A199-L203 WeakPolarHBondContact O-CB 3.44Å; A199-L203 PolarHBondContact O-N 3.26Å; D201-L203 VanDerWaalsContact C-N 3.34Å; D201-L203 PolarHBondContact O-N 2.98Å; L203-V205 VanDerWaalsContact C-N 3.3Å; L203-V205 PolarHBondContact O-N 3.02Å; L203-A206 PolarHBondContact O-N 3.37Å; L203-L207 HydrophobicContact CD1-CD1 4.07Å; L203-L207 HydrophobicContact CD1-CD2 4.47Å; L203-L207 HydrophobicContact CD1-CG 3.9Å; L203-L207 HydrophobicContact CG-CD1 3.86Å; L203-L207 HydrophobicContact CG-CG 4.2Å; L203-L207 WeakPolarHBondContact O-CB 3.4Å; L203-L207 VanDerWaalsContact O-CG 3.29Å; L203-L207 WeakPolarHBondContact O-CG 3.41Å; L203-L207 PolarHBondContact O-N 2.89Å; L203-F312 HydrophobicContact CB-CD1 4.5Å; L203-F312 HydrophobicContact CB-CE1 4.15Å; L203-Y313 HydrophobicContact CD1-CD2 3.95Å; L203-L316 HydrophobicContact CD1-CD1 3.76Å; L203-L316 HydrophobicContact CD2-CD1 3.91Å; L203-L316 HydrophobicContact CG-CD1 4.38Å
204S98.5Very high97.1Very high0 Ų026.7 Ų26.70%012%0.123CC..Hα-helixtrans-59.3-43175.7-177.20000111.7T200 D201 L202 N208 S218 V220T200-S204 WeakPolarHBondContact O-CB 2.95Å; T200-S204 PolarHBondContact O-N 3.47Å; D201-S204 PolarHBondContact O-N 3.12Å; L202-S204 PolarHBondContact O-N 2.86Å; S204-N208 WeakPolarHBondContact O-CB 3.38Å; S204-N208 PolarHBondContact O-N 2.68Å; S204-S218 WeakPolarHBondContact CA-OG 3.46Å; S204-S218 WeakPolarHBondContact O-CB 3.46Å; S204-S218 PolarHBondContact O-OG 3.31Å; S204-S218 PolarHBondContact OG-O 2.94Å; S204-S218 PolarHBondContact OG-OG 3.2Å; S204-V220 WeakPolarHBondContact OG-CG2 3.48Å
205V98.4Very high97.3Very high6 Ų626.9 Ų26.94%0.03613%0.125CC..Hα-helixtrans-65-46.9178.5172.90000110.9D201 L202 L203 N208 R209 P281 L282 M302 L304 E306 A309D201-V205 WeakPolarHBondContact O-CG2 3.44Å; D201-V205 PolarHBondContact O-N 3.41Å; L202-V205 PolarHBondContact O-N 3.19Å; L203-V205 VanDerWaalsContact C-N 3.3Å; L203-V205 PolarHBondContact O-N 3.02Å; V205-N208 PolarHBondContact O-N 2.89Å; V205-R209 PolarHBondContact O-N 3.33Å; V205-P281 WeakPolarHBondContact CG2-O 3.45Å; V205-L282 HydrophobicContact CG1-CD2 3.86Å; V205-L282 HydrophobicContact CG2-CD2 4.02Å; V205-M302 HydrophobicContact CG2-CE 3.79Å; V205-L304 HydrophobicContact CB-CD1 4.46Å; V205-L304 HydrophobicContact CG1-CD1 4.32Å; V205-L304 HydrophobicContact CG2-CD1 3.99Å; V205-L304 HydrophobicContact CG2-CD2 3.85Å; V205-E306 HydrophobicContact CG1-CG 4.11Å; V205-A309 HydrophobicContact CB-CB 4.34Å; V205-A309 HydrophobicContact CG1-CB 4.3Å
206A98.4Very high97.4Very high2 Ų227 Ų272%0.01713%0.126CC..Hα-helixtrans-61.8-45.4177.900000111.9L202 L203 N208 R209 N210 A309 Y313L202-A206 PolarHBondContact O-N 3.35Å; L203-A206 PolarHBondContact O-N 3.37Å; A206-N208 PolarHBondContact O-N 3.22Å; A206-R209 PolarHBondContact O-N 3.12Å; A206-N210 WeakPolarHBondContact O-CB 3.27Å; A206-N210 PolarHBondContact O-N 3.13Å; A206-N210 PolarHBondContact O-ND2 3.38Å; A206-A309 HydrophobicContact CB-CB 4.32Å; A206-Y313 HydrophobicContact CB-CD2 4.4Å; A206-Y313 HydrophobicContact CB-CG 4.1Å
207L98.2Very high97.4Very high2 Ų229 Ų291%0.0113%0.133CC..Hα-helixtrans-62.2-44.1177.1-73.1172.8000111.8I150 L166 W168 L203 R209 N210 F211 Y313I150-L207 HydrophobicContact CD1-CD1 3.77Å; I150-L207 HydrophobicContact CG2-CD1 4.43Å; I150-L207 HydrophobicContact CG2-CD2 4.47Å; L166-L207 HydrophobicContact CD1-CD1 4.3Å; W168-L207 HydrophobicContact CZ2-CD1 3.72Å; L203-L207 HydrophobicContact CD1-CD1 4.07Å; L203-L207 HydrophobicContact CD1-CD2 4.47Å; L203-L207 HydrophobicContact CD1-CG 3.9Å; L203-L207 HydrophobicContact CG-CD1 3.86Å; L203-L207 HydrophobicContact CG-CG 4.2Å; L203-L207 WeakPolarHBondContact O-CB 3.4Å; L203-L207 VanDerWaalsContact O-CG 3.29Å; L203-L207 WeakPolarHBondContact O-CG 3.41Å; L203-L207 PolarHBondContact O-N 2.89Å; L207-R209 VanDerWaalsContact C-N 3.28Å; L207-R209 PolarHBondContact O-N 3.37Å; L207-N210 PolarHBondContact O-N 3.3Å; L207-F211 HydrophobicContact CD2-CD2 3.92Å; L207-F211 HydrophobicContact CD2-CE2 3.65Å; L207-F211 WeakPolarHBondContact O-CD2 3.44Å; L207-F211 PolarHBondContact O-N 3.44Å; L207-Y313 HydrophobicContact CD2-CD2 4.4Å; L207-Y313 HydrophobicContact CD2-CE2 3.8Å
208N97.8Very high97.5Very high14 Ų1428.6 Ų28.68%0.07513%0.132CC..Hα-helixtrans-59.4-43.3176.7-166.584.9000111S204 V205 A206 N210 N212 Y217 S218 P281S204-N208 WeakPolarHBondContact O-CB 3.38Å; S204-N208 PolarHBondContact O-N 2.68Å; V205-N208 PolarHBondContact O-N 2.89Å; A206-N208 PolarHBondContact O-N 3.22Å; N208-N210 PolarHBondContact O-N 2.92Å; N208-N212 WeakPolarHBondContact O-CB 3.4Å; N208-N212 PolarHBondContact O-N 3.07Å; N208-N212 PolarHBondContact O-ND2 3.05Å; N208-N212 PolarHBondContact O-OD1 2.96Å; N208-Y217 WeakPolarHBondContact OD1-CA 3.06Å; N208-S218 PolarHBondContact OD1-N 2.83Å; N208-P281 HydrophobicContact CB-CB 3.96Å
209R96.8Very high97.6Very high140 Ų14028.4 Ų28.453%0.52813%0.131SC..Hα-helixtrans-64-38.4178.1-177.6175.2177.4173.9-3.8113.1V205 A206 L207V205-R209 PolarHBondContact O-N 3.33Å; A206-R209 PolarHBondContact O-N 3.12Å; L207-R209 VanDerWaalsContact C-N 3.28Å; L207-R209 PolarHBondContact O-N 3.37Å
210N97.1Very high97.6Very high56 Ų5628.4 Ų28.430%0.29913%0.131SC..Hα-helixtrans-81.8-27.5-175.8-78.5-81000113.4A206 L207 N208 E310A206-N210 WeakPolarHBondContact O-CB 3.27Å; A206-N210 PolarHBondContact O-N 3.13Å; A206-N210 PolarHBondContact O-ND2 3.38Å; L207-N210 PolarHBondContact O-N 3.3Å; N208-N210 PolarHBondContact O-N 2.92Å; N210-E310 PolarHBondContact ND2-OE2 3.46Å
211F97.1Very high97.5Very high10 Ų1028.3 Ų28.34%0.04413%0.131CC..Hα-helixtrans-120-7-172.4-62.3-84.5000115.9E154 L207 Q213 Q214 G215 L216E154-F211 HydrophobicContact CG-CD1 4.47Å; E154-F211 HydrophobicContact CG-CE1 4.01Å; L207-F211 HydrophobicContact CD2-CD2 3.92Å; L207-F211 HydrophobicContact CD2-CE2 3.65Å; L207-F211 WeakPolarHBondContact O-CD2 3.44Å; L207-F211 PolarHBondContact O-N 3.44Å; F211-Q213 VanDerWaalsContact C-N 3.28Å; F211-Q213 PolarHBondContact O-N 3.4Å; F211-Q214 CarbonylContact O-C 3.58Å; F211-Q214 WeakPolarHBondContact O-CA 3.37Å; F211-Q214 WeakPolarHBondContact O-CB 3.2Å; F211-Q214 PolarHBondContact O-N 3.42Å; F211-G215 PolarHBondContact O-N 3.05Å; F211-L216 CarbonylContact C-O 3.49Å; F211-L216 VanDerWaalsContact C-O 3.32Å; F211-L216 HydrophobicContact CB-CB 3.79Å; F211-L216 HydrophobicContact CB-CD2 3.92Å; F211-L216 HydrophobicContact CB-CG 4.21Å; F211-L216 HydrophobicContact CG-CD2 4.14Å; F211-L216 PolarHBondContact O-N 2.91Å
212N95.4Very high97.4Very high50 Ų5028.3 Ų28.327%0.26713%0.131SC..G310 helixtrans-58.8-36.7-178.860.71.8000113.5N208 Q214 G215 L216 Y217N208-N212 WeakPolarHBondContact O-CB 3.4Å; N208-N212 PolarHBondContact O-N 3.07Å; N208-N212 PolarHBondContact O-ND2 3.05Å; N208-N212 PolarHBondContact O-OD1 2.96Å; N212-Q214 PolarHBondContact O-N 3.48Å; N212-G215 PolarHBondContact O-N 3.14Å; N212-L216 VanDerWaalsContact CA-O 3.26Å; N212-L216 WeakPolarHBondContact CA-O 3.39Å; N212-L216 PolarHBondContact N-O 2.63Å; N212-Y217 HydrophobicContact CB-CD1 4.13Å; N212-Y217 HydrophobicContact CB-CE1 3.84Å
213Q95.1Very high97Very high181 Ų18129 Ų2985%0.84614%0.135SC*.G310 helixtrans-65.3-20.6175.9-67-175.2-9.800112.7F211 G215F211-Q213 VanDerWaalsContact C-N 3.28Å; F211-Q213 PolarHBondContact O-N 3.4Å; Q213-G215 VanDerWaalsContact C-N 3.35Å
214Q96.1Very high96.4Very high75 Ų7529.8 Ų29.835%0.3514%0.143SC..G310 helixtrans-958.2176.6-51.5179.94200112.2C158 H159 F211 N212C158-Q214 CarbonylContact C-O 3.2Å; C158-Q214 WeakPolarHBondContact CA-O 3.5Å; C158-Q214 HydrophobicContact CB-CB 3.96Å; H159-Q214 CarbonylContact C-O 3.56Å; H159-Q214 PolarHBondContact N-O 3.18Å; H159-Q214 VanDerWaalsContact N-O 3.09Å; F211-Q214 CarbonylContact O-C 3.58Å; F211-Q214 WeakPolarHBondContact O-CA 3.37Å; F211-Q214 WeakPolarHBondContact O-CB 3.2Å; F211-Q214 PolarHBondContact O-N 3.42Å; N212-Q214 PolarHBondContact O-N 3.48Å
215G96.2Very high95.6Very high4 Ų432 Ų324%0.04116%0.157CC..THydrogen-bonded Turntrans85.812.3178.900000114.9P163 S164 F211 N212 Q213P163-G215 CarbonylContact C-O 3.55Å; P163-G215 WeakPolarHBondContact CA-O 3.49Å; S164-G215 PolarHBondContact N-O 3.32Å; F211-G215 PolarHBondContact O-N 3.05Å; N212-G215 PolarHBondContact O-N 3.14Å; Q213-G215 VanDerWaalsContact C-N 3.35Å
216L97.8Very high94.5Very high3 Ų332.1 Ų32.12%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-110.1118.7178.5-178.163.1000111.5L157 L166 F211 N212L157-L216 HydrophobicContact CB-CD1 3.94Å; L157-L216 HydrophobicContact CB-CD2 4.11Å; L157-L216 HydrophobicContact CD1-CD1 4.39Å; L157-L216 HydrophobicContact CD1-CD2 4.24Å; L157-L216 HydrophobicContact CD2-CD1 3.9Å; L157-L216 HydrophobicContact CG-CD1 4.32Å; L166-L216 HydrophobicContact CD1-CD1 4.16Å; L166-L216 HydrophobicContact CD1-CD2 3.99Å; L166-L216 HydrophobicContact CD1-CG 4.12Å; L166-L216 HydrophobicContact CD2-CD1 3.98Å; L166-L216 HydrophobicContact CG-CD1 3.66Å; L166-L216 HydrophobicContact CG-CD2 4.41Å; L166-L216 HydrophobicContact CG-CG 4.14Å; F211-L216 CarbonylContact C-O 3.49Å; F211-L216 VanDerWaalsContact C-O 3.32Å; F211-L216 HydrophobicContact CB-CB 3.79Å; F211-L216 HydrophobicContact CB-CD2 3.92Å; F211-L216 HydrophobicContact CB-CG 4.21Å; F211-L216 HydrophobicContact CG-CD2 4.14Å; F211-L216 PolarHBondContact O-N 2.91Å; N212-L216 VanDerWaalsContact CA-O 3.26Å; N212-L216 WeakPolarHBondContact CA-O 3.39Å; N212-L216 PolarHBondContact N-O 2.63Å
217Y98.3Very high93.1Very high46 Ų4634.3 Ų34.318%0.1817%0.17CC..EExtended strand (participates in β ladder)trans-113.8135.9-176.7-66-93.7000110.8P163 S164 Q165 L166 N208 N212 P276 E277P163-Y217 HydrophobicContact CB-CD2 4.07Å; P163-Y217 HydrophobicContact CB-CE2 3.94Å; P163-Y217 HydrophobicContact CG-CE2 4.39Å; S164-Y217 PolarHBondContact O-N 3.43Å; Q165-Y217 CarbonylContact C-O 3.55Å; Q165-Y217 WeakPolarHBondContact CA-O 3.44Å; L166-Y217 PolarHBondContact N-O 3Å; N208-Y217 WeakPolarHBondContact OD1-CA 3.06Å; N212-Y217 HydrophobicContact CB-CD1 4.13Å; N212-Y217 HydrophobicContact CB-CE1 3.84Å; Y217-P276 HydrophobicContact CD2-CB 3.82Å; Y217-P276 HydrophobicContact CG-CB 3.77Å; Y217-E277 HydrophobicContact CE1-CB 4.1Å; Y217-E277 HydrophobicContact CE1-CG 4.27Å; Y217-E277 HydrophobicContact CE2-CB 4.49Å; Y217-E277 HydrophobicContact CE2-CG 3.8Å; Y217-E277 WeakPolarHBondContact OH-CG 3.46Å
218S98.2Very high91.6Very high1 Ų135.3 Ų35.31%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-118.7126.1-176.2-171.90000111.8L166 W168 S204 N208L166-S218 WeakPolarHBondContact O-CA 3.49Å; W168-S218 VanDerWaalsContact CD1-OG 3.25Å; W168-S218 PolarHBondContact NE1-OG 2.75Å; W168-S218 VanDerWaalsContact NE1-OG 3.09Å; S204-S218 WeakPolarHBondContact CA-OG 3.46Å; S204-S218 WeakPolarHBondContact O-CB 3.46Å; S204-S218 PolarHBondContact O-OG 3.31Å; S204-S218 PolarHBondContact OG-O 2.94Å; S204-S218 PolarHBondContact OG-OG 3.2Å; N208-S218 PolarHBondContact OD1-N 2.83Å
219N98.1Very high89.7Confident2 Ų240.2 Ų40.21%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-129.3154.7-175.8-65.7-79.1000111.2L166 I167 W168 L271 L279L166-N219 PolarHBondContact O-N 3.39Å; I167-N219 WeakPolarHBondContact CA-O 3.46Å; W168-N219 PolarHBondContact N-O 2.57Å; N219-L271 HydrophobicContact CB-CD1 4.04Å; N219-L279 WeakPolarHBondContact ND2-CD1 3.38Å; N219-L279 VanDerWaalsContact OD1-CB 3.27Å; N219-L279 WeakPolarHBondContact OD1-CB 3.42Å
220V97.9Very high88.2Confident0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-116.7132.2-176.8-174.60000111.1W168 D201 S204 K284 Y285 M302W168-V220 HydrophobicContact CB-CG2 4.43Å; D201-V220 WeakPolarHBondContact OD1-CG1 3.2Å; S204-V220 WeakPolarHBondContact OG-CG2 3.48Å; V220-K284 HydrophobicContact CG1-CD 4.34Å; V220-K284 HydrophobicContact CG1-CG 4.06Å; V220-Y285 PolarHBondContact O-N 3.47Å; V220-M302 HydrophobicContact CB-SD 4.17Å; V220-M302 HydrophobicContact CG1-SD 4.41Å; V220-M302 HydrophobicContact CG2-CE 4.12Å; V220-M302 HydrophobicContact CG2-SD 4.02Å
221V97.4Very high86.6Confident0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-118.6144.9174.2177.50000111.5I167 W168 S170 A267 L268 L271 Y285I167-V221 HydrophobicContact CG2-CB 4.36Å; I167-V221 HydrophobicContact CG2-CG2 3.74Å; W168-V221 PolarHBondContact O-N 2.84Å; S170-V221 WeakPolarHBondContact CA-O 3.49Å; S170-V221 PolarHBondContact N-O 2.74Å; V221-A267 HydrophobicContact CG1-CB 3.71Å; V221-A267 HydrophobicContact CG2-CB 4.49Å; V221-L268 HydrophobicContact CB-CD2 3.72Å; V221-L268 HydrophobicContact CB-CG 4.35Å; V221-L268 HydrophobicContact CG1-CD2 3.73Å; V221-L268 HydrophobicContact CG1-CG 3.79Å; V221-L268 HydrophobicContact CG2-CD2 3.93Å; V221-L271 HydrophobicContact CG2-CD1 3.18Å; V221-L271 HydrophobicContact CG2-CG 4.17Å; V221-Y285 CarbonylContact C-O 3.41Å; V221-Y285 WeakPolarHBondContact CA-O 3.3Å
222C95.2Very high84.9Confident3 Ų340.3 Ų40.32%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-115.8117.4163.31700000110.1R172 G224 K284 Y285 L286 S287R172-C222 PolarHBondContact N-SG 3.15Å; R172-C222 VanDerWaalsContact N-SG 3.41Å; C222-G224 PolarHBondContact O-N 3.06Å; C222-G224 VanDerWaalsContact O-N 3.15Å; C222-G224 PolarHBondContact SG-N 3.35Å; C222-K284 HydrophobicContact CB-CD 4.09Å; C222-K284 HydrophobicContact CB-CG 4.37Å; C222-Y285 PolarHBondContact N-O 3.06Å; C222-L286 HydrophobicContact CB-CD2 4.1Å; C222-L286 HydrophobicContact CB-CG 4Å; C222-L286 WeakPolarHBondContact O-CA 3.33Å; C222-S287 PolarHBondContact O-N 3.28Å
223P91.1Very high83.5Confident14 Ų1441.1 Ų41.19%0.09123%0.227CC..  trans-74.3-2-178.330.4-35.2000114.2I14 T169 T258 G264I14-P223 HydrophobicContact CD1-CB 3.81Å; I14-P223 HydrophobicContact CD1-CG 4.47Å; I14-P223 HydrophobicContact CG1-CB 4.16Å; I14-P223 HydrophobicContact CG1-CG 4.34Å; I14-P223 HydrophobicContact CG2-CB 4.38Å; T169-P223 HydrophobicContact CG2-CG 3.95Å; P223-T258 VanDerWaalsContact O-CG2 3.3Å; P223-T258 WeakPolarHBondContact O-CG2 3.16Å; P223-T258 PolarHBondContact O-OG1 3.34Å; P223-T258 VanDerWaalsContact O-OG1 3.04Å; P223-G264 WeakPolarHBondContact CA-O 3.24Å; P223-G264 WeakPolarHBondContact CB-O 3.26Å; P223-G264 WeakPolarHBondContact O-CA 3.27Å
224G85.1Confident82.3Confident16 Ų1634 Ų3417%0.16519%0.194CC..  trans72.2-171-17300000112.4C222 A226 A256C222-G224 PolarHBondContact O-N 3.06Å; C222-G224 VanDerWaalsContact O-N 3.15Å; C222-G224 PolarHBondContact SG-N 3.35Å; G224-A226 PolarHBondContact O-N 3.05Å; G224-A256 CarbonylContact C-O 3.47Å; G224-A256 WeakPolarHBondContact CA-O 3.46Å
225T81.5Confident81.1Confident48 Ų4832.3 Ų32.329%0.29419%0.187SC..SBendtrans-88.291.4-177.7-51.80000109.5S118 A256 F257 T258 L259S118-T225 PolarHBondContact O-OG1 3.05Å; T225-A256 PolarHBondContact N-O 3.15Å; T225-F257 HydrophobicContact CG2-CD1 3.98Å; T225-F257 HydrophobicContact CG2-CE1 4.08Å; T225-T258 PolarHBondContact O-N 2.83Å; T225-T258 PolarHBondContact O-OG1 3.25Å; T225-L259 PolarHBondContact O-N 3.49Å
226A76.2Confident80.3Confident7 Ų735 Ų356%0.05820%0.204CC..BIsolated β-bridgetrans-98148172.200000111.2I14 G224 T228 T231 T258I14-A226 HydrophobicContact CD1-CB 4.14Å; G224-A226 PolarHBondContact O-N 3.05Å; A226-T228 HydrophobicContact CB-CG2 3.98Å; A226-T228 PolarHBondContact O-N 2.97Å; A226-T228 VanDerWaalsContact O-N 3.13Å; A226-T231 PolarHBondContact O-OG1 2.64Å; A226-T258 PolarHBondContact N-OG1 3.38Å
227L69.3Low79.4Confident49 Ų4938.1 Ų38.126%0.25722%0.224SC..  trans-71.6104.7166.9-61.7162.9000107.7W240 M244 L259 P261L227-W240 HydrophobicContact CD2-CD2 4.04Å; L227-W240 HydrophobicContact CD2-CE3 3.71Å; L227-W240 HydrophobicContact CD2-CH2 4.33Å; L227-W240 HydrophobicContact CD2-CZ3 3.87Å; L227-M244 HydrophobicContact CD1-CE 3.22Å; L227-M244 HydrophobicContact CD1-SD 4.18Å; L227-M244 HydrophobicContact CD2-CE 4.09Å; L227-M244 HydrophobicContact CG-CE 4.26Å; L227-L259 VanDerWaalsContact CB-O 3.3Å; L227-L259 WeakPolarHBondContact CB-O 3.07Å; L227-L259 WeakPolarHBondContact CD1-O 3.5Å; L227-L259 WeakPolarHBondContact CG-O 3.37Å; L227-L259 PolarHBondContact N-O 2.91Å; L227-P261 WeakPolarHBondContact O-CG 3.31Å
228T65.3Low78.5Confident23 Ų2342.9 Ų42.914%0.14125%0.246CC..  trans-130.4174.6179.362.20000108.5I14 A226 L230 T231 Y232 P261I14-T228 HydrophobicContact CG1-CG2 4.21Å; A226-T228 HydrophobicContact CB-CG2 3.98Å; A226-T228 PolarHBondContact O-N 2.97Å; A226-T228 VanDerWaalsContact O-N 3.13Å; T228-L230 PolarHBondContact O-N 2.73Å; T228-L230 VanDerWaalsContact O-N 3.09Å; T228-L230 PolarHBondContact OG1-N 3.44Å; T228-T231 PolarHBondContact N-OG1 3.07Å; T228-T231 PolarHBondContact O-N 2.8Å; T228-T231 PolarHBondContact O-OG1 2.98Å; T228-Y232 VanDerWaalsContact O-CB 3.24Å; T228-Y232 WeakPolarHBondContact O-CB 3.39Å; T228-Y232 PolarHBondContact O-N 3.3Å; T228-P261 HydrophobicContact CG2-CG 4.17Å
229N59.6Low77.6Confident117 Ų11745.1 Ų45.163%0.62626%0.258SS*.Hα-helixtrans-57-25.4172.8-65.6-20.5000112.9
230L64.5Low76.6Confident66 Ų6646.5 Ų46.535%0.34626%0.263SS..Hα-helixtrans-72.6-29.1177.6-66.2173000113.2M94 T228M94-L230 HydrophobicContact CB-CD2 4.34Å; M94-L230 WeakPolarHBondContact CE-O 3.44Å; T228-L230 PolarHBondContact O-N 2.73Å; T228-L230 VanDerWaalsContact O-N 3.09Å; T228-L230 PolarHBondContact OG1-N 3.44Å
231T63.2Low75.9Confident28 Ų2851.4 Ų51.417%0.17229%0.293CS..Hα-helixtrans-106-33-176.849.50000112.6A226 T228 G233 I234 W240A226-T231 PolarHBondContact O-OG1 2.64Å; T228-T231 PolarHBondContact N-OG1 3.07Å; T228-T231 PolarHBondContact O-N 2.8Å; T228-T231 PolarHBondContact O-OG1 2.98Å; T231-G233 VanDerWaalsContact C-N 3.29Å; T231-G233 PolarHBondContact O-N 3.34Å; T231-I234 WeakPolarHBondContact O-CB 3.38Å; T231-I234 VanDerWaalsContact O-CG1 3.29Å; T231-I234 WeakPolarHBondContact O-CG1 3.46Å; T231-I234 PolarHBondContact O-N 3.45Å; T231-I234 VanDerWaalsContact O-N 3.16Å; T231-W240 VanDerWaalsContact O-CZ2 3.28Å; T231-W240 WeakPolarHBondContact O-CZ2 3.36Å
232Y60.9Low75.2Confident113 Ų11357.9 Ų57.944%0.44333%0.327SS..Hα-helixtrans-61.8-35-176.4-165.8-100.6000112.8T228 I234 P237 W240T228-Y232 VanDerWaalsContact O-CB 3.24Å; T228-Y232 WeakPolarHBondContact O-CB 3.39Å; T228-Y232 PolarHBondContact O-N 3.3Å; Y232-I234 PolarHBondContact O-N 2.95Å; Y232-P237 HydrophobicContact CE1-CG 4.02Å; Y232-P237 VanDerWaalsContact OH-CB 3.27Å; Y232-P237 WeakPolarHBondContact OH-CB 3.39Å; Y232-P237 WeakPolarHBondContact OH-CG 3.4Å; Y232-W240 PolarHBondContact O-NE1 3.38Å
233G65.6Low74.5Confident68 Ų6860.8 Ų60.870%0.70134%0.342SS*.THydrogen-bonded Turntrans-70.2-7179.100000115.5T231T231-G233 VanDerWaalsContact C-N 3.29Å; T231-G233 PolarHBondContact O-N 3.34Å
234I70.3Confident74.2Confident32 Ų3262.5 Ų62.516%0.16435%0.349CS..THydrogen-bonded Turntrans-75.4-35.2-177.5-58.7172.2000111.5M94 P97 L99 L124 T231 Y232M94-I234 HydrophobicContact CE-CD1 4.38Å; P97-I234 HydrophobicContact CB-CD1 4.4Å; P97-I234 HydrophobicContact CB-CG1 4.09Å; P97-I234 HydrophobicContact CG-CG1 3.9Å; L99-I234 HydrophobicContact CB-CG2 4.45Å; L99-I234 HydrophobicContact CD1-CG2 3.98Å; L124-I234 HydrophobicContact CD1-CD1 4.08Å; L124-I234 HydrophobicContact CD2-CD1 4.19Å; L124-I234 HydrophobicContact CD2-CG2 4.04Å; T231-I234 WeakPolarHBondContact O-CB 3.38Å; T231-I234 VanDerWaalsContact O-CG1 3.29Å; T231-I234 WeakPolarHBondContact O-CG1 3.46Å; T231-I234 PolarHBondContact O-N 3.45Å; T231-I234 VanDerWaalsContact O-N 3.16Å; Y232-I234 PolarHBondContact O-N 2.95Å
235L72.3Confident74.3Confident38 Ų3866 Ų6620%0.19937%0.369CS..SBendtrans-134.5147.2-177.1-64.7171.2000110.5I239 W240 L243L235-I239 HydrophobicContact CB-CB 4.26Å; L235-I239 HydrophobicContact CB-CG2 4.28Å; L235-I239 HydrophobicContact CD1-CG2 3.94Å; L235-I239 HydrophobicContact CD2-CG2 4.46Å; L235-I239 HydrophobicContact CG-CG2 4.46Å; L235-W240 HydrophobicContact CB-CZ2 4.41Å; L235-W240 HydrophobicContact CD1-CZ2 4.29Å; L235-W240 VanDerWaalsContact O-CD1 3.3Å; L235-W240 PolarHBondContact O-NE1 2.87Å; L235-L243 HydrophobicContact CD1-CD1 3.73Å
236P78.1Confident74.3Confident60 Ų6066.2 Ų66.239%0.3938%0.375SS..  trans-53.1147.1171.6-2732.9000113.3F238 I239 W240P236-F238 VanDerWaalsContact C-N 3.27Å; P236-F238 HydrophobicContact CB-CD1 3.64Å; P236-F238 HydrophobicContact CB-CE1 3.46Å; P236-F238 VanDerWaalsContact CB-CE1 3.46Å; P236-F238 HydrophobicContact CB-CZ 4.41Å; P236-F238 HydrophobicContact CG-CE1 4.04Å; P236-F238 PolarHBondContact O-N 2.85Å; P236-F238 VanDerWaalsContact O-N 3.12Å; P236-I239 HydrophobicContact CB-CG1 4.27Å; P236-I239 HydrophobicContact CG-CD1 4.1Å; P236-I239 HydrophobicContact CG-CG1 4.41Å; P236-I239 WeakPolarHBondContact O-CB 3.14Å; P236-I239 PolarHBondContact O-N 2.77Å; P236-W240 PolarHBondContact O-N 3.38Å
237P79Confident74.6Confident69 Ų6966.7 Ų66.745%0.44838%0.377SS..Hα-helixtrans-51.6-38.3-177.8-31.837000115.5Y232 I239 W240 T241Y232-P237 HydrophobicContact CE1-CG 4.02Å; Y232-P237 VanDerWaalsContact OH-CB 3.27Å; Y232-P237 WeakPolarHBondContact OH-CB 3.39Å; Y232-P237 WeakPolarHBondContact OH-CG 3.4Å; P237-I239 VanDerWaalsContact C-N 3.32Å; P237-I239 PolarHBondContact O-N 3.28Å; P237-W240 PolarHBondContact O-N 3.24Å; P237-T241 PolarHBondContact O-N 3.26Å; P237-T241 PolarHBondContact O-OG1 3.31Å; P237-T241 VanDerWaalsContact O-OG1 3.08Å
238F79.3Confident75.3Confident147 Ų14768 Ų6865%0.64538%0.384SS*.Hα-helixtrans-67.9-33.3-18078.4-92.3000112P236 T241 L242P236-F238 VanDerWaalsContact C-N 3.27Å; P236-F238 HydrophobicContact CB-CD1 3.64Å; P236-F238 HydrophobicContact CB-CE1 3.46Å; P236-F238 VanDerWaalsContact CB-CE1 3.46Å; P236-F238 HydrophobicContact CB-CZ 4.41Å; P236-F238 HydrophobicContact CG-CE1 4.04Å; P236-F238 PolarHBondContact O-N 2.85Å; P236-F238 VanDerWaalsContact O-N 3.12Å; F238-T241 WeakPolarHBondContact O-CB 3.33Å; F238-T241 PolarHBondContact O-N 3.1Å; F238-L242 PolarHBondContact O-N 3.3Å
239I79.1Confident76.2Confident48 Ų4872.3 Ų72.325%0.24641%0.405CS..Hα-helixtrans-68-41.8177.1-58.5-168.8000109.8L235 P236 P237 T241 L242 L243L235-I239 HydrophobicContact CB-CB 4.26Å; L235-I239 HydrophobicContact CB-CG2 4.28Å; L235-I239 HydrophobicContact CD1-CG2 3.94Å; L235-I239 HydrophobicContact CD2-CG2 4.46Å; L235-I239 HydrophobicContact CG-CG2 4.46Å; P236-I239 HydrophobicContact CB-CG1 4.27Å; P236-I239 HydrophobicContact CG-CD1 4.1Å; P236-I239 HydrophobicContact CG-CG1 4.41Å; P236-I239 WeakPolarHBondContact O-CB 3.14Å; P236-I239 PolarHBondContact O-N 2.77Å; P237-I239 VanDerWaalsContact C-N 3.32Å; P237-I239 PolarHBondContact O-N 3.28Å; I239-T241 VanDerWaalsContact C-N 3.26Å; I239-T241 PolarHBondContact O-N 3.06Å; I239-L242 PolarHBondContact O-N 3.23Å; I239-L243 HydrophobicContact CG2-CD1 3.82Å; I239-L243 HydrophobicContact CG2-CG 4.14Å; I239-L243 WeakPolarHBondContact O-CB 3.33Å; I239-L243 VanDerWaalsContact O-CG 3.3Å; I239-L243 WeakPolarHBondContact O-CG 3.33Å; I239-L243 PolarHBondContact O-N 3.26Å
240W77.9Confident77.2Confident31 Ų3168.8 Ų68.812%0.11739%0.386CS..Hα-helixtrans-56.5-43.9173.4-77114.2000111.8L227 T231 Y232 L235 P236 P237 L242 L243 M244 I247L227-W240 HydrophobicContact CD2-CD2 4.04Å; L227-W240 HydrophobicContact CD2-CE3 3.71Å; L227-W240 HydrophobicContact CD2-CH2 4.33Å; L227-W240 HydrophobicContact CD2-CZ3 3.87Å; T231-W240 VanDerWaalsContact O-CZ2 3.28Å; T231-W240 WeakPolarHBondContact O-CZ2 3.36Å; Y232-W240 PolarHBondContact O-NE1 3.38Å; L235-W240 HydrophobicContact CB-CZ2 4.41Å; L235-W240 HydrophobicContact CD1-CZ2 4.29Å; L235-W240 VanDerWaalsContact O-CD1 3.3Å; L235-W240 PolarHBondContact O-NE1 2.87Å; P236-W240 PolarHBondContact O-N 3.38Å; P237-W240 PolarHBondContact O-N 3.24Å; W240-L242 VanDerWaalsContact C-N 3.34Å; W240-L242 PolarHBondContact O-N 3.27Å; W240-L243 PolarHBondContact O-N 3.43Å; W240-M244 HydrophobicContact CB-CE 4.15Å; W240-M244 HydrophobicContact CE3-CE 4.5Å; W240-M244 VanDerWaalsContact O-CG 3.27Å; W240-M244 WeakPolarHBondContact O-CG 3.46Å; W240-M244 PolarHBondContact O-N 3.17Å; W240-I247 HydrophobicContact CE3-CD1 4.22Å; W240-I247 HydrophobicContact CZ3-CD1 4.03Å
241T82.2Confident78.1Confident103 Ų10366.4 Ų66.463%0.63237%0.373SS*.Hα-helixtrans-60.9-43.3178-52.50000111.6P237 F238 I239 M244P237-T241 PolarHBondContact O-N 3.26Å; P237-T241 PolarHBondContact O-OG1 3.31Å; P237-T241 VanDerWaalsContact O-OG1 3.08Å; F238-T241 WeakPolarHBondContact O-CB 3.33Å; F238-T241 PolarHBondContact O-N 3.1Å; I239-T241 VanDerWaalsContact C-N 3.26Å; I239-T241 PolarHBondContact O-N 3.06Å; T241-M244 PolarHBondContact O-N 3.17Å
242L82.9Confident79Confident136 Ų13670.2 Ų70.271%0.71239%0.387SS*.Hα-helixtrans-65.6-36.7176.6-175.166.2000112.6F238 I239 W240 P245F238-L242 PolarHBondContact O-N 3.3Å; I239-L242 PolarHBondContact O-N 3.23Å; W240-L242 VanDerWaalsContact C-N 3.34Å; W240-L242 PolarHBondContact O-N 3.27Å; L242-P245 WeakPolarHBondContact O-CD 3.48Å
243L81.9Confident80Confident63 Ų6371.9 Ų71.933%0.3340%0.397SS..Hα-helixtrans-78-20179.7-67.5176.4000113.3L235 I239 W240 A246 I247L235-L243 HydrophobicContact CD1-CD1 3.73Å; I239-L243 HydrophobicContact CG2-CD1 3.82Å; I239-L243 HydrophobicContact CG2-CG 4.14Å; I239-L243 WeakPolarHBondContact O-CB 3.33Å; I239-L243 VanDerWaalsContact O-CG 3.3Å; I239-L243 WeakPolarHBondContact O-CG 3.33Å; I239-L243 PolarHBondContact O-N 3.26Å; W240-L243 PolarHBondContact O-N 3.43Å; L243-A246 WeakPolarHBondContact O-CB 3.5Å; L243-A246 PolarHBondContact O-N 3.27Å; L243-A246 VanDerWaalsContact O-N 3.08Å; L243-I247 HydrophobicContact CB-CD1 4.01Å; L243-I247 HydrophobicContact CB-CG1 4.43Å; L243-I247 WeakPolarHBondContact O-CG1 3.1Å; L243-I247 PolarHBondContact O-N 2.93Å
244M83.7Confident80.7Confident51 Ų5169 Ų6925%0.25137%0.367SS..Hα-helixtrans-53.9-47.7-174.7-75.4-48.9165.400114.5L227 W240 T241 A246 I247 L248L227-M244 HydrophobicContact CD1-CE 3.22Å; L227-M244 HydrophobicContact CD1-SD 4.18Å; L227-M244 HydrophobicContact CD2-CE 4.09Å; L227-M244 HydrophobicContact CG-CE 4.26Å; W240-M244 HydrophobicContact CB-CE 4.15Å; W240-M244 HydrophobicContact CE3-CE 4.5Å; W240-M244 VanDerWaalsContact O-CG 3.27Å; W240-M244 WeakPolarHBondContact O-CG 3.46Å; W240-M244 PolarHBondContact O-N 3.17Å; T241-M244 PolarHBondContact O-N 3.17Å; M244-A246 VanDerWaalsContact C-N 3.26Å; M244-A246 PolarHBondContact O-N 2.78Å; M244-I247 PolarHBondContact O-N 2.84Å; M244-I247 HydrophobicContact SD-CD1 4.42Å; M244-L248 WeakPolarHBondContact O-CB 3.27Å; M244-L248 WeakPolarHBondContact O-CG 3.29Å; M244-L248 PolarHBondContact O-N 3.36Å
245P86.5Confident81.1Confident90 Ų9069.6 Ų69.658%0.58437%0.37SS*.Hα-helixtrans-59.5-39.1178.8-23.535000112.2L242 L248 L249L242-P245 WeakPolarHBondContact O-CD 3.48Å; P245-L248 PolarHBondContact O-N 3.28Å; P245-L249 PolarHBondContact O-N 3.05Å
246A82.8Confident81.5Confident51 Ų5168 Ų6842%0.42136%0.362SS..Hα-helixtrans-68.3-40.8176.700000112L243 M244 L249 L250L243-A246 WeakPolarHBondContact O-CB 3.5Å; L243-A246 PolarHBondContact O-N 3.27Å; L243-A246 VanDerWaalsContact O-N 3.08Å; M244-A246 VanDerWaalsContact C-N 3.26Å; M244-A246 PolarHBondContact O-N 2.78Å; A246-L249 PolarHBondContact O-N 3.22Å; A246-L250 WeakPolarHBondContact O-CB 3.48Å; A246-L250 VanDerWaalsContact O-CG 3.32Å; A246-L250 WeakPolarHBondContact O-CG 3.49Å; A246-L250 PolarHBondContact O-N 3.36Å
247I81.6Confident81.8Confident18 Ų1865.8 Ų65.89%0.09235%0.346CS..Hα-helixtrans-66.4-38.8176.8-59.8164.7000110.9W240 L243 M244 L249 L250 R251 F257 L259W240-I247 HydrophobicContact CE3-CD1 4.22Å; W240-I247 HydrophobicContact CZ3-CD1 4.03Å; L243-I247 HydrophobicContact CB-CD1 4.01Å; L243-I247 HydrophobicContact CB-CG1 4.43Å; L243-I247 WeakPolarHBondContact O-CG1 3.1Å; L243-I247 PolarHBondContact O-N 2.93Å; M244-I247 PolarHBondContact O-N 2.84Å; M244-I247 HydrophobicContact SD-CD1 4.42Å; I247-L249 VanDerWaalsContact C-N 3.33Å; I247-L250 PolarHBondContact O-N 3.28Å; I247-R251 PolarHBondContact O-N 2.95Å; I247-F257 HydrophobicContact CG2-CB 4.21Å; I247-F257 HydrophobicContact CG2-CD1 3.76Å; I247-F257 HydrophobicContact CG2-CE1 4.25Å; I247-F257 HydrophobicContact CG2-CG 3.95Å; I247-L259 HydrophobicContact CB-CD2 4.46Å; I247-L259 HydrophobicContact CG2-CD2 3.54Å
248L84.3Confident81.9Confident77 Ų7762.5 Ų62.540%0.40333%0.325SS..Hα-helixtrans-62-41.2173.6-73.3170.4000111.5M244 P245 R251 L259M244-L248 WeakPolarHBondContact O-CB 3.27Å; M244-L248 WeakPolarHBondContact O-CG 3.29Å; M244-L248 PolarHBondContact O-N 3.36Å; P245-L248 PolarHBondContact O-N 3.28Å; L248-R251 VanDerWaalsContact O-CB 3.24Å; L248-R251 WeakPolarHBondContact O-CB 3.5Å; L248-R251 PolarHBondContact O-N 3.09Å; L248-L259 HydrophobicContact CD2-CD1 3.52Å; L248-L259 HydrophobicContact CG-CD1 4.23Å
249L84.7Confident82.1Confident113 Ų11356.4 Ų56.459%0.59230%0.299SS*.Hα-helixtrans-65.6-43.9174.1-171.172.8000111.7P245 A246 I247 R251 F252P245-L249 PolarHBondContact O-N 3.05Å; A246-L249 PolarHBondContact O-N 3.22Å; I247-L249 VanDerWaalsContact C-N 3.33Å; L249-R251 PolarHBondContact O-N 3.18Å; L249-R251 VanDerWaalsContact O-N 3.15Å; L249-F252 WeakPolarHBondContact O-CB 3.45Å; L249-F252 PolarHBondContact O-N 3.19Å; L249-F252 VanDerWaalsContact O-N 3.11Å
250L80.4Confident82.6Confident42 Ų4257 Ų5722%0.2231%0.305CS..Hα-helixtrans-59.2-26.6176.8-76.3173.4000112.3I114 A246 I247 F252 F253 A254 F257I114-L250 HydrophobicContact CG1-CD2 4.44Å; A246-L250 WeakPolarHBondContact O-CB 3.48Å; A246-L250 VanDerWaalsContact O-CG 3.32Å; A246-L250 WeakPolarHBondContact O-CG 3.49Å; A246-L250 PolarHBondContact O-N 3.36Å; I247-L250 PolarHBondContact O-N 3.28Å; L250-F252 PolarHBondContact O-N 3.41Å; L250-F253 CarbonylContact O-C 3.58Å; L250-F253 PolarHBondContact O-N 3.05Å; L250-A254 PolarHBondContact O-N 3.26Å; L250-F257 HydrophobicContact CB-CE2 4.22Å
251R83.1Confident83.2Confident17 Ų1757.1 Ų57.16%0.06431%0.31CS..THydrogen-bonded Turntrans-60.4-25.9177-164.5-177-75.5178.2-31.7113.7I247 L248 L249 F253 A254 F257 T258 L259 T289 T290I247-R251 PolarHBondContact O-N 2.95Å; L248-R251 VanDerWaalsContact O-CB 3.24Å; L248-R251 WeakPolarHBondContact O-CB 3.5Å; L248-R251 PolarHBondContact O-N 3.09Å; L249-R251 PolarHBondContact O-N 3.18Å; L249-R251 VanDerWaalsContact O-N 3.15Å; R251-F253 PolarHBondContact O-N 2.72Å; R251-A254 WeakPolarHBondContact CA-O 3.42Å; R251-F257 PolarHBondContact NE-O 2.76Å; R251-F257 PolarHBondContact NH2-O 2.81Å; R251-T258 PolarHBondContact NH2-O 2.97Å; R251-L259 VanDerWaalsContact CZ-CD1 3.49Å; R251-L259 VanDerWaalsContact NH2-CB 3.33Å; R251-T289 WeakPolarHBondContact CG-O 3.45Å; R251-T290 WeakPolarHBondContact CD-O 3.34Å
252F82.5Confident83.8Confident108 Ų10858.2 Ų58.247%0.47430%0.303SS..THydrogen-bonded Turntrans-66.9-22.6173.2-75.5-91.6000113L249 L250 F292L249-F252 WeakPolarHBondContact O-CB 3.45Å; L249-F252 PolarHBondContact O-N 3.19Å; L249-F252 VanDerWaalsContact O-N 3.11Å; L250-F252 PolarHBondContact O-N 3.41Å; F252-F292 HydrophobicContact CE1-CD2 4.32Å; F252-F292 HydrophobicContact CE1-CE1 4.24Å; F252-F292 AromaticContact CE1-CE2 3.95Å; F252-F292 HydrophobicContact CE1-CE2 3.95Å; F252-F292 AromaticContact CE1-CZ 3.91Å; F252-F292 HydrophobicContact CE1-CZ 3.91Å; F252-F292 HydrophobicContact CZ-CD1 4.3Å; F252-F292 HydrophobicContact CZ-CE1 4.13Å; F252-F292 HydrophobicContact CZ-CZ 4.27Å
253F82.1Confident84.3Confident148 Ų14853 Ų5365%0.64928%0.276SS*.THydrogen-bonded Turntrans-112.9-20.2-178.1-52.6-77.8000113I114 L250 R251I114-F253 HydrophobicContact CD1-CB 4.01Å; L250-F253 CarbonylContact O-C 3.58Å; L250-F253 PolarHBondContact O-N 3.05Å; R251-F253 PolarHBondContact O-N 2.72Å
254A79.5Confident84.8Confident8 Ų850 Ų507%0.06626%0.26CS..  trans-136.399.5-18000000110.7I114 L250 R251 A256 F257I114-A254 HydrophobicContact CG2-CB 3.77Å; L250-A254 PolarHBondContact O-N 3.26Å; R251-A254 WeakPolarHBondContact CA-O 3.42Å; A254-A256 PolarHBondContact O-N 3.18Å; A254-A256 VanDerWaalsContact O-N 3.09Å; A254-F257 HydrophobicContact CB-CD2 3.9Å; A254-F257 HydrophobicContact CB-CE2 3.75Å; A254-F257 WeakPolarHBondContact O-CD2 3.36Å
255N80Confident85.4Confident44 Ų4447.5 Ų47.524%0.23525%0.248CC..THydrogen-bonded Turntrans-70.6-1.8179.257.831.5000114.9R172 F257 A288 T289 Y296 M298R172-N255 PolarHBondContact NH2-OD1 3.26Å; N255-F257 VanDerWaalsContact C-N 3.25Å; N255-F257 PolarHBondContact O-N 2.9Å; N255-A288 HydrophobicContact CB-CB 4.17Å; N255-A288 VanDerWaalsContact O-CA 3.31Å; N255-A288 WeakPolarHBondContact O-CA 3.39Å; N255-T289 WeakPolarHBondContact CA-O 3.12Å; N255-T289 PolarHBondContact O-N 3.12Å; N255-Y296 HydrophobicContact CB-CE1 4.39Å; N255-Y296 WeakPolarHBondContact CB-OH 3.49Å; N255-Y296 VanDerWaalsContact CG-OH 3.31Å; N255-Y296 PolarHBondContact ND2-OH 2.7Å; N255-M298 PolarHBondContact ND2-SD 2.78Å
256A80.6Confident85.9Confident4 Ų445.3 Ų45.33%0.03323%0.23CC..THydrogen-bonded Turntrans-69.8-19.1178.800000113.4G224 T225 A254 T258G224-A256 CarbonylContact C-O 3.47Å; G224-A256 WeakPolarHBondContact CA-O 3.46Å; T225-A256 PolarHBondContact N-O 3.15Å; A254-A256 PolarHBondContact O-N 3.18Å; A254-A256 VanDerWaalsContact O-N 3.09Å; A256-T258 PolarHBondContact O-N 3.38Å; A256-T258 VanDerWaalsContact O-N 3.09Å
257F82.8Confident86.6Confident13 Ų1342.9 Ų42.96%0.05721%0.21CC..  trans-82.883.1-175.8-66.6-74.4000112.6F117 T225 I247 L250 R251 A254 N255 L259F117-F257 HydrophobicContact CB-CZ 4.22Å; F117-F257 WeakPolarHBondContact O-CZ 3.12Å; T225-F257 HydrophobicContact CG2-CD1 3.98Å; T225-F257 HydrophobicContact CG2-CE1 4.08Å; I247-F257 HydrophobicContact CG2-CB 4.21Å; I247-F257 HydrophobicContact CG2-CD1 3.76Å; I247-F257 HydrophobicContact CG2-CE1 4.25Å; I247-F257 HydrophobicContact CG2-CG 3.95Å; L250-F257 HydrophobicContact CB-CE2 4.22Å; R251-F257 PolarHBondContact NE-O 2.76Å; R251-F257 PolarHBondContact NH2-O 2.81Å; A254-F257 HydrophobicContact CB-CD2 3.9Å; A254-F257 HydrophobicContact CB-CE2 3.75Å; A254-F257 WeakPolarHBondContact O-CD2 3.36Å; N255-F257 VanDerWaalsContact C-N 3.25Å; N255-F257 PolarHBondContact O-N 2.9Å; F257-L259 PolarHBondContact O-N 2.88Å
258T82.8Confident87.4Confident0 Ų042 Ų420%021%0.206CC..  trans-69-24.1176.151.90000112.7P223 T225 A226 R251 A256 T260 N263 T289P223-T258 VanDerWaalsContact O-CG2 3.3Å; P223-T258 WeakPolarHBondContact O-CG2 3.16Å; P223-T258 PolarHBondContact O-OG1 3.34Å; P223-T258 VanDerWaalsContact O-OG1 3.04Å; T225-T258 PolarHBondContact O-N 2.83Å; T225-T258 PolarHBondContact O-OG1 3.25Å; A226-T258 PolarHBondContact N-OG1 3.38Å; R251-T258 PolarHBondContact NH2-O 2.97Å; A256-T258 PolarHBondContact O-N 3.38Å; A256-T258 VanDerWaalsContact O-N 3.09Å; T258-T260 PolarHBondContact O-N 2.89Å; T258-N263 VanDerWaalsContact O-CB 3.23Å; T258-N263 WeakPolarHBondContact O-CB 3.34Å; T258-N263 PolarHBondContact O-ND2 2.86Å; T258-T289 WeakPolarHBondContact CA-OG1 3.35Å
259L83.4Confident88Confident20 Ų2038.6 Ų38.611%0.10519%0.188CC..BIsolated β-bridgetrans63.3-44.2178.8-68.4-176000115.7T225 L227 I247 L248 R251 F257T225-L259 PolarHBondContact O-N 3.49Å; L227-L259 VanDerWaalsContact CB-O 3.3Å; L227-L259 WeakPolarHBondContact CB-O 3.07Å; L227-L259 WeakPolarHBondContact CD1-O 3.5Å; L227-L259 WeakPolarHBondContact CG-O 3.37Å; L227-L259 PolarHBondContact N-O 2.91Å; I247-L259 HydrophobicContact CB-CD2 4.46Å; I247-L259 HydrophobicContact CG2-CD2 3.54Å; L248-L259 HydrophobicContact CD2-CD1 3.52Å; L248-L259 HydrophobicContact CG-CD1 4.23Å; R251-L259 VanDerWaalsContact CZ-CD1 3.49Å; R251-L259 VanDerWaalsContact NH2-CB 3.33Å; F257-L259 PolarHBondContact O-N 2.88Å
260T89Confident88.6Confident59 Ų5937.3 Ų37.336%0.36218%0.175SC..SBendtrans-110.6149.7-179.970.90000110.6T258 Y262 N263 G264T258-T260 PolarHBondContact O-N 2.89Å; T260-Y262 PolarHBondContact O-N 3.13Å; T260-N263 PolarHBondContact O-N 3.3Å; T260-N263 WeakPolarHBondContact OG1-CB 3.21Å; T260-N263 PolarHBondContact OG1-N 2.99Å; T260-N263 VanDerWaalsContact OG1-N 3.09Å; T260-N263 PolarHBondContact OG1-ND2 3.46Å; T260-N263 PolarHBondContact OG1-OD1 3.32Å; T260-G264 PolarHBondContact O-N 3.04Å
261P91.3Very high89.4Confident35 Ų3535.3 Ų35.323%0.22717%0.165CC..Hα-helixtrans-57.9-34.4172-26.235.2000112.9G13 I14 A17 L227 T228 G264 T265G13-P261 WeakPolarHBondContact O-CB 3.47Å; I14-P261 HydrophobicContact CD1-CB 4.14Å; A17-P261 HydrophobicContact CB-CB 3.8Å; L227-P261 WeakPolarHBondContact O-CG 3.31Å; T228-P261 HydrophobicContact CG2-CG 4.17Å; P261-G264 PolarHBondContact O-N 3.41Å; P261-T265 WeakPolarHBondContact O-CG2 3.26Å; P261-T265 PolarHBondContact O-N 3.06Å
262Y93.3Very high90Very high125 Ų12535 Ų3549%0.4916%0.164SC..Hα-helixtrans-57.7-50.6175-173.9-86000111.9R21 T260 G264 T265R21-Y262 HydrophobicContact CG-CD2 3.79Å; R21-Y262 HydrophobicContact CG-CE2 3.34Å; R21-Y262 PolarHBondContact NH1-O 3.4Å; T260-Y262 PolarHBondContact O-N 3.13Å; Y262-G264 VanDerWaalsContact C-N 3.27Å; Y262-G264 PolarHBondContact O-N 2.63Å; Y262-T265 PolarHBondContact O-N 3.08Å; Y262-T265 PolarHBondContact O-OG1 3.13Å
263N93.7Very high90.6Very high26 Ų2634.8 Ų34.814%0.13916%0.164CC..Hα-helixtrans-64.9-34.3177.2-68.1-7.1000111.9T258 T260 T265 E266 N295T258-N263 VanDerWaalsContact O-CB 3.23Å; T258-N263 WeakPolarHBondContact O-CB 3.34Å; T258-N263 PolarHBondContact O-ND2 2.86Å; T260-N263 PolarHBondContact O-N 3.3Å; T260-N263 WeakPolarHBondContact OG1-CB 3.21Å; T260-N263 PolarHBondContact OG1-N 2.99Å; T260-N263 VanDerWaalsContact OG1-N 3.09Å; T260-N263 PolarHBondContact OG1-ND2 3.46Å; T260-N263 PolarHBondContact OG1-OD1 3.32Å; N263-T265 PolarHBondContact O-N 2.82Å; N263-E266 PolarHBondContact O-N 2.98Å; N263-N295 WeakPolarHBondContact CB-OD1 3.17Å; N263-N295 VanDerWaalsContact CG-ND2 3.33Å; N263-N295 VanDerWaalsContact CG-OD1 3.22Å; N263-N295 PolarHBondContact OD1-ND2 3.39Å
264G93.5Very high91.3Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-65.5-16.2177.900000114.6P223 T260 P261 Y262 S287P223-G264 WeakPolarHBondContact CA-O 3.24Å; P223-G264 WeakPolarHBondContact CB-O 3.26Å; P223-G264 WeakPolarHBondContact O-CA 3.27Å; T260-G264 PolarHBondContact O-N 3.04Å; P261-G264 PolarHBondContact O-N 3.41Å; Y262-G264 VanDerWaalsContact C-N 3.27Å; Y262-G264 PolarHBondContact O-N 2.63Å; G264-S287 WeakPolarHBondContact O-CB 3.3Å; G264-S287 PolarHBondContact O-OG 2.78Å
265T96.4Very high92Very high0 Ų037 Ų370%017%0.173CC..THydrogen-bonded Turntrans-89.52.9179.155.90000114.4I14 A17 L18 R21 P261 Y262 N263 A267 L268 V269I14-T265 HydrophobicContact CG2-CG2 3.83Å; I14-T265 WeakPolarHBondContact O-CG2 3.43Å; A17-T265 HydrophobicContact CB-CG2 3.93Å; L18-T265 HydrophobicContact CB-CG2 3.89Å; R21-T265 WeakPolarHBondContact CD-OG1 3.49Å; R21-T265 PolarHBondContact NH1-OG1 3.2Å; P261-T265 WeakPolarHBondContact O-CG2 3.26Å; P261-T265 PolarHBondContact O-N 3.06Å; Y262-T265 PolarHBondContact O-N 3.08Å; Y262-T265 PolarHBondContact O-OG1 3.13Å; N263-T265 PolarHBondContact O-N 2.82Å; T265-A267 PolarHBondContact O-N 3.04Å; T265-L268 HydrophobicContact CG2-CD1 4.05Å; T265-L268 WeakPolarHBondContact O-CB 3.26Å; T265-L268 PolarHBondContact O-N 3.09Å; T265-V269 WeakPolarHBondContact O-CG2 3.29Å; T265-V269 PolarHBondContact O-N 3.2Å
266E97Very high92.7Very high43 Ų4335.8 Ų35.820%0.20117%0.167CC..Hα-helixtrans-54.1-54.2-176.6-164.764.7-160.400113.6R21 N263 L268 V269 W270 S287 N295 I297R21-E266 IonicContact CZ-OE2 3.62Å; R21-E266 VanDerWaalsContact CZ-OE2 3.27Å; R21-E266 IonicContact NH1-OE2 3.74Å; R21-E266 PolarHBondContact NH1-OE2 3.37Å; R21-E266 IonicContact NH2-OE1 3.16Å; R21-E266 IonicContact NH2-OE2 2.72Å; R21-E266 PolarHBondContact NH2-OE2 2.84Å; N263-E266 PolarHBondContact O-N 2.98Å; E266-L268 VanDerWaalsContact C-N 3.3Å; E266-L268 PolarHBondContact O-N 3.19Å; E266-V269 PolarHBondContact O-N 3.16Å; E266-W270 WeakPolarHBondContact O-CB 3.28Å; E266-W270 PolarHBondContact O-N 2.58Å; E266-S287 PolarHBondContact N-OG 3.23Å; E266-N295 HydrophobicContact CB-CB 4.2Å; E266-N295 HydrophobicContact CG-CB 3.79Å; E266-I297 HydrophobicContact CG-CG1 4.23Å
267A97.2Very high93.4Very high0 Ų039.6 Ų39.60%019%0.185CC..Hα-helixtrans-69.1-28.5178.200000112.7V221 T265 L271 S287 I297V221-A267 HydrophobicContact CG1-CB 3.71Å; V221-A267 HydrophobicContact CG2-CB 4.49Å; T265-A267 PolarHBondContact O-N 3.04Å; A267-L271 WeakPolarHBondContact O-CB 3.42Å; A267-L271 WeakPolarHBondContact O-CG 3.38Å; A267-L271 PolarHBondContact O-N 3.09Å; A267-S287 WeakPolarHBondContact CB-OG 3.44Å; A267-S287 PolarHBondContact N-OG 3.28Å; A267-I297 HydrophobicContact CB-CG1 4.47Å; A267-I297 HydrophobicContact CB-CG2 4.36Å
268L97.5Very high94Very high0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-66.8-44.2177-67.7168.7000111.2I14 L18 Y88 I167 V221 T265 E266 F272I14-L268 HydrophobicContact CG2-CD1 3.45Å; I14-L268 VanDerWaalsContact CG2-CD1 3.45Å; L18-L268 HydrophobicContact CD1-CB 3.74Å; L18-L268 HydrophobicContact CD2-CB 4.47Å; L18-L268 HydrophobicContact CD2-CD1 4.35Å; Y88-L268 HydrophobicContact CD1-CD2 3.79Å; Y88-L268 HydrophobicContact CE1-CB 3.91Å; Y88-L268 HydrophobicContact CE1-CD2 3.79Å; Y88-L268 HydrophobicContact CE1-CG 4.43Å; Y88-L268 PolarHBondContact OH-O 2.97Å; I167-L268 HydrophobicContact CG2-CD2 3.66Å; V221-L268 HydrophobicContact CB-CD2 3.72Å; V221-L268 HydrophobicContact CB-CG 4.35Å; V221-L268 HydrophobicContact CG1-CD2 3.73Å; V221-L268 HydrophobicContact CG1-CG 3.79Å; V221-L268 HydrophobicContact CG2-CD2 3.93Å; T265-L268 HydrophobicContact CG2-CD1 4.05Å; T265-L268 WeakPolarHBondContact O-CB 3.26Å; T265-L268 PolarHBondContact O-N 3.09Å; E266-L268 VanDerWaalsContact C-N 3.3Å; E266-L268 PolarHBondContact O-N 3.19Å; L268-F272 PolarHBondContact O-N 3.16Å
269V97.4Very high94.7Very high6 Ų643.9 Ų43.94%0.03622%0.215CC..Hα-helixtrans-72.4-40.6177.4174.60000110.6L18 R21 L22 E25 T265 E266 L271 F272 H273L18-V269 HydrophobicContact CD1-CG2 3.82Å; R21-V269 HydrophobicContact CB-CG2 3.73Å; L22-V269 HydrophobicContact CD2-CG2 4.46Å; E25-V269 HydrophobicContact CG-CG1 3.93Å; T265-V269 WeakPolarHBondContact O-CG2 3.29Å; T265-V269 PolarHBondContact O-N 3.2Å; E266-V269 PolarHBondContact O-N 3.16Å; V269-L271 VanDerWaalsContact C-N 3.33Å; V269-L271 PolarHBondContact O-N 3.05Å; V269-F272 WeakPolarHBondContact O-CB 3.38Å; V269-F272 PolarHBondContact O-N 3.48Å; V269-F272 VanDerWaalsContact O-N 3.13Å; V269-H273 PolarHBondContact O-CD2 3.22Å; V269-H273 VanDerWaalsContact O-CD2 3.22Å
270W97.5Very high95.3Very high86 Ų8646.7 Ų46.733%0.32623%0.23SC..Hα-helixtrans-61.8-40.8176.7176.689000113.3E266 F272 H273 Q274 L279 Y285 I297E266-W270 WeakPolarHBondContact O-CB 3.28Å; E266-W270 PolarHBondContact O-N 2.58Å; W270-F272 PolarHBondContact O-N 2.85Å; W270-H273 PolarHBondContact O-N 3.12Å; W270-Q274 HydrophobicContact CD2-CG 3.91Å; W270-Q274 HydrophobicContact CE3-CG 3.8Å; W270-Q274 HydrophobicContact CH2-CG 3.68Å; W270-Q274 HydrophobicContact CZ2-CG 3.8Å; W270-Q274 HydrophobicContact CZ3-CG 3.69Å; W270-Q274 WeakPolarHBondContact O-CG 3.37Å; W270-Q274 PolarHBondContact O-N 2.9Å; W270-Q274 PolarHBondContact O-NE2 3.16Å; W270-Q274 VanDerWaalsContact O-NE2 3.12Å; W270-L279 HydrophobicContact CH2-CD2 4.23Å; W270-L279 HydrophobicContact CZ3-CD2 4.23Å; W270-Y285 HydrophobicContact CE3-CD1 4.3Å; W270-Y285 HydrophobicContact CH2-CD1 4.12Å; W270-Y285 AromaticContact CH2-CE1 3.8Å; W270-Y285 HydrophobicContact CH2-CE1 3.8Å; W270-Y285 AromaticContact CZ3-CD1 3.48Å; W270-Y285 HydrophobicContact CZ3-CD1 3.48Å; W270-Y285 VanDerWaalsContact CZ3-CD1 3.48Å; W270-Y285 AromaticContact CZ3-CE1 3.51Å; W270-Y285 HydrophobicContact CZ3-CE1 3.51Å; W270-Y285 HydrophobicContact CZ3-CG 4.26Å; W270-I297 HydrophobicContact CB-CD1 3.11Å; W270-I297 HydrophobicContact CB-CG1 4.31Å; W270-I297 HydrophobicContact CD2-CD1 3.34Å; W270-I297 HydrophobicContact CE3-CD1 3.99Å; W270-I297 HydrophobicContact CG-CD1 2.93Å; W270-I297 HydrophobicContact CG-CG1 4.37Å
271L96.8Very high95.6Very high0 Ų045.5 Ų45.50%022%0.223CC..Hα-helixtrans-60.7-32.4175.7-83.3-172.8000113Q165 I167 N219 V221 A267 V269 H273 Q274 L279 Y285Q165-L271 PolarHBondContact NE2-O 3.3Å; Q165-L271 PolarHBondContact OE1-O 3.14Å; I167-L271 HydrophobicContact CD1-CB 3.88Å; I167-L271 HydrophobicContact CD1-CD1 4.3Å; I167-L271 HydrophobicContact CG1-CD1 4.3Å; I167-L271 HydrophobicContact CG2-CD1 4.05Å; N219-L271 HydrophobicContact CB-CD1 4.04Å; V221-L271 HydrophobicContact CG2-CD1 3.18Å; V221-L271 HydrophobicContact CG2-CG 4.17Å; A267-L271 WeakPolarHBondContact O-CB 3.42Å; A267-L271 WeakPolarHBondContact O-CG 3.38Å; A267-L271 PolarHBondContact O-N 3.09Å; V269-L271 VanDerWaalsContact C-N 3.33Å; V269-L271 PolarHBondContact O-N 3.05Å; L271-H273 PolarHBondContact O-N 3.41Å; L271-Q274 HydrophobicContact CD2-CG 4.49Å; L271-Q274 PolarHBondContact O-N 2.92Å; L271-Q274 VanDerWaalsContact O-N 3.08Å; L271-L279 HydrophobicContact CD2-CD1 3.54Å; L271-L279 HydrophobicContact CD2-CD2 3.95Å; L271-L279 HydrophobicContact CD2-CG 4.41Å; L271-Y285 HydrophobicContact CD1-CD2 4.29Å; L271-Y285 HydrophobicContact CD2-CD2 4.02Å; L271-Y285 HydrophobicContact CD2-CE2 4.15Å; L271-Y285 HydrophobicContact CD2-CG 4.25Å
272F95.8Very high95.9Very high9 Ų945.7 Ų45.74%0.03922%0.222CC..Hα-helixtrans-59.1-31.4177.3178.1-105.5000113.1K3 V5 L22 L29 Y88 L268 V269 W270K3-F272 HydrophobicContact CD-CE2 3.79Å; K3-F272 HydrophobicContact CD-CZ 3.77Å; K3-F272 PolarHBondContact NZ-O 2.98Å; V5-F272 HydrophobicContact CG2-CE2 3.75Å; L22-F272 HydrophobicContact CD2-CB 3.89Å; L22-F272 HydrophobicContact CD2-CD1 3.78Å; L22-F272 HydrophobicContact CD2-CD2 3.88Å; L22-F272 HydrophobicContact CD2-CE1 4.28Å; L22-F272 HydrophobicContact CD2-CE2 4.36Å; L22-F272 HydrophobicContact CD2-CG 3.57Å; L29-F272 HydrophobicContact CD1-CE1 4.33Å; L29-F272 HydrophobicContact CD1-CE2 4.37Å; L29-F272 HydrophobicContact CD1-CZ 3.76Å; L29-F272 HydrophobicContact CD2-CE2 4.38Å; L29-F272 HydrophobicContact CD2-CZ 3.69Å; L29-F272 HydrophobicContact CG-CZ 4.35Å; Y88-F272 WeakPolarHBondContact OH-CB 3.31Å; L268-F272 PolarHBondContact O-N 3.16Å; V269-F272 WeakPolarHBondContact O-CB 3.38Å; V269-F272 PolarHBondContact O-N 3.48Å; V269-F272 VanDerWaalsContact O-N 3.13Å; W270-F272 PolarHBondContact O-N 2.85Å
273H95.4Very high96.1Very high104 Ų10441.2 Ų41.248%0.48121%0.206SC..THydrogen-bonded Turntrans-89.6-9.9178.8-63.5-73.5000113.5V269 W270 L271V269-H273 PolarHBondContact O-CD2 3.22Å; V269-H273 VanDerWaalsContact O-CD2 3.22Å; W270-H273 PolarHBondContact O-N 3.12Å; L271-H273 PolarHBondContact O-N 3.41Å
274Q95.9Very high96.2Very high55 Ų5540.5 Ų40.526%0.25720%0.202SC..SBendtrans-82.9149.1-179.8-57.8-42.9-62.800111.1W270 L271 P276 L279W270-Q274 HydrophobicContact CD2-CG 3.91Å; W270-Q274 HydrophobicContact CE3-CG 3.8Å; W270-Q274 HydrophobicContact CH2-CG 3.68Å; W270-Q274 HydrophobicContact CZ2-CG 3.8Å; W270-Q274 HydrophobicContact CZ3-CG 3.69Å; W270-Q274 WeakPolarHBondContact O-CG 3.37Å; W270-Q274 PolarHBondContact O-N 2.9Å; W270-Q274 PolarHBondContact O-NE2 3.16Å; W270-Q274 VanDerWaalsContact O-NE2 3.12Å; L271-Q274 HydrophobicContact CD2-CG 4.49Å; L271-Q274 PolarHBondContact O-N 2.92Å; L271-Q274 VanDerWaalsContact O-N 3.08Å; Q274-P276 WeakPolarHBondContact O-CD 3.44Å; Q274-L279 HydrophobicContact CB-CD1 4.16Å; Q274-L279 HydrophobicContact CB-CD2 3.92Å; Q274-L279 HydrophobicContact CB-CG 4.27Å; Q274-L279 HydrophobicContact CG-CD2 4.08Å
275K95.3Very high96.4Very high148 Ų14841.2 Ų41.264%0.64320%0.204SC*.  trans-71.2118.9166.6-67.8-173.2-179.4-175.80109E277 S278K275-E277 PolarHBondContact O-N 2.81Å; K275-S278 WeakPolarHBondContact O-CB 3.4Å; K275-S278 PolarHBondContact O-N 2.84Å; K275-S278 PolarHBondContact O-OG 2.93Å
276P94.7Very high96.4Very high18 Ų1841.3 Ų41.312%0.11721%0.205CC..G310 helixtrans-57.2-35-174.4-24.733.2000113.7Q165 Y217 Q274 S278 L279Q165-P276 HydrophobicContact CB-CB 4.37Å; Q165-P276 HydrophobicContact CB-CG 3.93Å; Q165-P276 HydrophobicContact CG-CB 4.2Å; Q165-P276 HydrophobicContact CG-CG 4.11Å; Y217-P276 HydrophobicContact CD2-CB 3.82Å; Y217-P276 HydrophobicContact CG-CB 3.77Å; Q274-P276 WeakPolarHBondContact O-CD 3.44Å; P276-S278 PolarHBondContact O-N 3.49Å; P276-L279 PolarHBondContact O-N 2.88Å
277E94.6Very high96.3Very high85 Ų8539.2 Ų39.240%0.39720%0.195SC..G310 helixtrans-64.5-24.2178.8-38.974.6-118.900113.9P163 Y217 K275 L279P163-E277 WeakPolarHBondContact CB-OE1 3.34Å; P163-E277 HydrophobicContact CG-CG 4.29Å; P163-E277 WeakPolarHBondContact CG-OE1 3.3Å; Y217-E277 HydrophobicContact CE1-CB 4.1Å; Y217-E277 HydrophobicContact CE1-CG 4.27Å; Y217-E277 HydrophobicContact CE2-CB 4.49Å; Y217-E277 HydrophobicContact CE2-CG 3.8Å; Y217-E277 WeakPolarHBondContact OH-CG 3.46Å; K275-E277 PolarHBondContact O-N 2.81Å; E277-L279 VanDerWaalsContact C-N 3.33Å
278S95.6Very high96.1Very high84 Ų8439.2 Ų39.259%0.58720%0.195SC*.G310 helixtrans-84.3-10.3-176.870.50000113.6K275 P276K275-S278 WeakPolarHBondContact O-CB 3.4Å; K275-S278 PolarHBondContact O-N 2.84Å; K275-S278 PolarHBondContact O-OG 2.93Å; P276-S278 PolarHBondContact O-N 3.49Å
279L96.8Very high95.8Very high19 Ų1939.2 Ų39.210%0.09920%0.195CC..SBendtrans-87147.1-173.9-60.8170.9000111.4N219 W270 L271 Q274 P276 E277 Y285N219-L279 WeakPolarHBondContact ND2-CD1 3.38Å; N219-L279 VanDerWaalsContact OD1-CB 3.27Å; N219-L279 WeakPolarHBondContact OD1-CB 3.42Å; W270-L279 HydrophobicContact CH2-CD2 4.23Å; W270-L279 HydrophobicContact CZ3-CD2 4.23Å; L271-L279 HydrophobicContact CD2-CD1 3.54Å; L271-L279 HydrophobicContact CD2-CD2 3.95Å; L271-L279 HydrophobicContact CD2-CG 4.41Å; Q274-L279 HydrophobicContact CB-CD1 4.16Å; Q274-L279 HydrophobicContact CB-CD2 3.92Å; Q274-L279 HydrophobicContact CB-CG 4.27Å; Q274-L279 HydrophobicContact CG-CD2 4.08Å; P276-L279 PolarHBondContact O-N 2.88Å; E277-L279 VanDerWaalsContact C-N 3.33Å; L279-Y285 HydrophobicContact CD2-CE1 4.39Å; L279-Y285 HydrophobicContact CD2-CE2 4.45Å; L279-Y285 WeakPolarHBondContact CD2-OH 3.49Å
280N96.6Very high95.5Very high78 Ų7841.1 Ų41.142%0.41721%0.207SC..  trans-90.1117.4177.1-175.6-29000109.4L282 I283 Y285N280-L282 PolarHBondContact O-N 2.96Å; N280-L282 VanDerWaalsContact O-N 3.14Å; N280-L282 WeakPolarHBondContact OD1-CB 3.23Å; N280-L282 PolarHBondContact OD1-N 2.93Å; N280-I283 HydrophobicContact CB-CB 4.25Å; N280-I283 HydrophobicContact CB-CG1 3.74Å; N280-I283 PolarHBondContact O-N 2.93Å; N280-Y285 PolarHBondContact N-OH 3.46Å
281P95.8Very high94.9Very high34 Ų3437.9 Ų37.922%0.22120%0.2CC..THydrogen-bonded Turntrans-67.2-16.3-176.328.7-36.4000113.6V205 N208 I283 M302V205-P281 WeakPolarHBondContact CG2-O 3.45Å; N208-P281 HydrophobicContact CB-CB 3.96Å; P281-I283 VanDerWaalsContact C-N 3.32Å; P281-M302 WeakPolarHBondContact O-CE 3.3Å
282L97.1Very high94.5Very high40 Ų4046.4 Ų46.421%0.20924%0.237CC..THydrogen-bonded Turntrans-88.5-0.1177.4-55.6179.3000113V205 N280 M302 L304 E306V205-L282 HydrophobicContact CG1-CD2 3.86Å; V205-L282 HydrophobicContact CG2-CD2 4.02Å; N280-L282 PolarHBondContact O-N 2.96Å; N280-L282 VanDerWaalsContact O-N 3.14Å; N280-L282 WeakPolarHBondContact OD1-CB 3.23Å; N280-L282 PolarHBondContact OD1-N 2.93Å; L282-M302 PolarHBondContact O-N 3.35Å; L282-L304 HydrophobicContact CD2-CD1 4.15Å; L282-E306 HydrophobicContact CD2-CG 4.05Å
283I97.3Very high94Very high31 Ų3147.5 Ų47.516%0.15925%0.251CS..EExtended strand (participates in β ladder)trans-102.6130.7179.3-63.7-71.5000109.8N280 P281 Y285 T299 K301N280-I283 HydrophobicContact CB-CB 4.25Å; N280-I283 HydrophobicContact CB-CG1 3.74Å; N280-I283 PolarHBondContact O-N 2.93Å; P281-I283 VanDerWaalsContact C-N 3.32Å; I283-Y285 HydrophobicContact CB-CE2 4.34Å; I283-Y285 HydrophobicContact CG2-CD1 4.37Å; I283-Y285 HydrophobicContact CG2-CD2 4.41Å; I283-Y285 HydrophobicContact CG2-CE1 4.04Å; I283-Y285 HydrophobicContact CG2-CE2 4.08Å; I283-T299 HydrophobicContact CG2-CG2 3.86Å; I283-K301 HydrophobicContact CD1-CB 4.21Å
284K96.9Very high93.8Very high11 Ų1151.9 Ų51.95%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-91.8129.8165.3-178173.8-67.5179.80108.8S170 S171 D201 V220 C222 L286 Q300 M302S170-K284 PolarHBondContact OG-NZ 2.99Å; S170-K284 VanDerWaalsContact OG-NZ 3.13Å; S171-K284 PolarHBondContact O-NZ 3.43Å; D201-K284 VanDerWaalsContact CG-NZ 3.3Å; D201-K284 VanDerWaalsContact OD1-CE 3.3Å; D201-K284 WeakPolarHBondContact OD1-CE 3.39Å; D201-K284 IonicContact OD1-NZ 2.7Å; D201-K284 PolarHBondContact OD1-NZ 3.28Å; D201-K284 VanDerWaalsContact OD2-CE 3.31Å; D201-K284 WeakPolarHBondContact OD2-CE 3.46Å; D201-K284 IonicContact OD2-NZ 3.91Å; D201-K284 PolarHBondContact OD2-NZ 3.35Å; V220-K284 HydrophobicContact CG1-CD 4.34Å; V220-K284 HydrophobicContact CG1-CG 4.06Å; C222-K284 HydrophobicContact CB-CD 4.09Å; C222-K284 HydrophobicContact CB-CG 4.37Å; K284-L286 HydrophobicContact CG-CD1 4.34Å; K284-L286 HydrophobicContact CG-CG 4.39Å; K284-L286 WeakPolarHBondContact O-CD1 3.31Å; K284-Q300 PolarHBondContact N-O 3.05Å; K284-Q300 PolarHBondContact O-N 2.82Å; K284-M302 HydrophobicContact CB-CG 3.73Å; K284-M302 HydrophobicContact CB-SD 4.09Å
285Y97.5Very high93.7Very high14 Ų1451 Ų516%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-96.9129.9176.6-59.9-89.9000109.3V220 V221 C222 W270 L271 L279 N280 I283 I297 M298 T299V220-Y285 PolarHBondContact O-N 3.47Å; V221-Y285 CarbonylContact C-O 3.41Å; V221-Y285 WeakPolarHBondContact CA-O 3.3Å; C222-Y285 PolarHBondContact N-O 3.06Å; W270-Y285 HydrophobicContact CE3-CD1 4.3Å; W270-Y285 HydrophobicContact CH2-CD1 4.12Å; W270-Y285 AromaticContact CH2-CE1 3.8Å; W270-Y285 HydrophobicContact CH2-CE1 3.8Å; W270-Y285 AromaticContact CZ3-CD1 3.48Å; W270-Y285 HydrophobicContact CZ3-CD1 3.48Å; W270-Y285 VanDerWaalsContact CZ3-CD1 3.48Å; W270-Y285 AromaticContact CZ3-CE1 3.51Å; W270-Y285 HydrophobicContact CZ3-CE1 3.51Å; W270-Y285 HydrophobicContact CZ3-CG 4.26Å; L271-Y285 HydrophobicContact CD1-CD2 4.29Å; L271-Y285 HydrophobicContact CD2-CD2 4.02Å; L271-Y285 HydrophobicContact CD2-CE2 4.15Å; L271-Y285 HydrophobicContact CD2-CG 4.25Å; L279-Y285 HydrophobicContact CD2-CE1 4.39Å; L279-Y285 HydrophobicContact CD2-CE2 4.45Å; L279-Y285 WeakPolarHBondContact CD2-OH 3.49Å; N280-Y285 PolarHBondContact N-OH 3.46Å; I283-Y285 HydrophobicContact CB-CE2 4.34Å; I283-Y285 HydrophobicContact CG2-CD1 4.37Å; I283-Y285 HydrophobicContact CG2-CD2 4.41Å; I283-Y285 HydrophobicContact CG2-CE1 4.04Å; I283-Y285 HydrophobicContact CG2-CE2 4.08Å; Y285-I297 HydrophobicContact CD1-CG2 4.48Å; Y285-M298 CarbonylContact C-O 3.58Å; Y285-T299 HydrophobicContact CD1-CG2 3.79Å; Y285-T299 HydrophobicContact CE1-CG2 3.82Å
286L95.8Very high93.7Very high2 Ų247.8 Ų47.81%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-119.7128.4-171.8-57.693.1000110.3R172 C222 K284 A288 I297 M298 Q300R172-L286 HydrophobicContact CG-CD2 3.77Å; C222-L286 HydrophobicContact CB-CD2 4.1Å; C222-L286 HydrophobicContact CB-CG 4Å; C222-L286 WeakPolarHBondContact O-CA 3.33Å; K284-L286 HydrophobicContact CG-CD1 4.34Å; K284-L286 HydrophobicContact CG-CG 4.39Å; K284-L286 WeakPolarHBondContact O-CD1 3.31Å; L286-A288 PolarHBondContact O-N 3.42Å; L286-I297 WeakPolarHBondContact O-CA 3.35Å; L286-M298 HydrophobicContact CB-CB 4.29Å; L286-M298 WeakPolarHBondContact CD1-O 3.41Å; L286-M298 PolarHBondContact N-O 3.09Å; L286-M298 PolarHBondContact O-N 3.13Å; L286-Q300 HydrophobicContact CD1-CB 3.55Å
287S95.6Very high93.7Very high0 Ų049 Ų490%025%0.25CS..EExtended strand (participates in β ladder)trans-70.4122.8164.3-56.50000108.2C222 G264 E266 A267C222-S287 PolarHBondContact O-N 3.28Å; G264-S287 WeakPolarHBondContact O-CB 3.3Å; G264-S287 PolarHBondContact O-OG 2.78Å; E266-S287 PolarHBondContact N-OG 3.23Å; A267-S287 WeakPolarHBondContact CB-OG 3.44Å; A267-S287 PolarHBondContact N-OG 3.28Å
288A92.7Very high93.7Very high0 Ų048 Ų480%025%0.246CC..EExtended strand (participates in β ladder)trans-129.2152.4179.800000110N255 L286 N295 Y296 M298N255-A288 HydrophobicContact CB-CB 4.17Å; N255-A288 VanDerWaalsContact O-CA 3.31Å; N255-A288 WeakPolarHBondContact O-CA 3.39Å; L286-A288 PolarHBondContact O-N 3.42Å; A288-N295 CarbonylContact O-C 3.54Å; A288-N295 VanDerWaalsContact O-CA 3.3Å; A288-N295 WeakPolarHBondContact O-CA 3.39Å; A288-Y296 HydrophobicContact CB-CD1 4.09Å; A288-Y296 HydrophobicContact CB-CD2 4.33Å; A288-Y296 HydrophobicContact CB-CE1 3.65Å; A288-Y296 HydrophobicContact CB-CE2 3.94Å; A288-Y296 HydrophobicContact CB-CG 4.41Å; A288-Y296 PolarHBondContact N-O 3.21Å; A288-Y296 PolarHBondContact O-N 3.27Å; A288-Y296 VanDerWaalsContact O-O 3.1Å; A288-M298 HydrophobicContact CB-CG 3.92Å; A288-M298 HydrophobicContact CB-SD 3.87Å
289T91.2Very high93.7Very high0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans-129.9128.1177.5-530000109.2R251 N255 T258 G293 R294 N295R251-T289 WeakPolarHBondContact CG-O 3.45Å; N255-T289 WeakPolarHBondContact CA-O 3.12Å; N255-T289 PolarHBondContact O-N 3.12Å; T258-T289 WeakPolarHBondContact CA-OG1 3.35Å; T289-G293 VanDerWaalsContact CG2-C 3.49Å; T289-R294 CarbonylContact C-O 3.53Å; T289-R294 WeakPolarHBondContact CA-O 2.95Å; T289-N295 WeakPolarHBondContact CG2-OD1 3.4Å; T289-N295 PolarHBondContact OG1-OD1 2.78Å
290T89.9Confident93.6Very high46 Ų4652 Ų5228%0.28226%0.261SS..  trans-66.2162176.465.70000111.1R251 F292 G293 R294 Y296R251-T290 WeakPolarHBondContact CD-O 3.34Å; T290-F292 PolarHBondContact O-N 3.47Å; T290-F292 VanDerWaalsContact O-N 3.08Å; T290-G293 PolarHBondContact O-N 3.37Å; T290-R294 HydrophobicContact CG2-CB 4.34Å; T290-R294 PolarHBondContact N-O 3.19Å; T290-R294 WeakPolarHBondContact OG1-CB 3.46Å; T290-R294 PolarHBondContact OG1-N 3.34Å; T290-R294 PolarHBondContact OG1-O 3.27Å; T290-Y296 HydrophobicContact CG2-CD1 3.69Å; T290-Y296 HydrophobicContact CG2-CE1 3.58Å
291G85.9Confident93.5Very high17 Ų1755.7 Ų55.718%0.17527%0.274CS..THydrogen-bonded Turntrans-50.2-36.2175.600000113.7G293G291-G293 VanDerWaalsContact C-N 3.28Å; G291-G293 PolarHBondContact O-N 2.95Å
292F87.4Confident93.5Very high179 Ų17954.7 Ų54.779%0.78527%0.266SS*.THydrogen-bonded Turntrans-81.75.7177-63.6-71.7000115F252 T290F252-F292 HydrophobicContact CE1-CD2 4.32Å; F252-F292 HydrophobicContact CE1-CE1 4.24Å; F252-F292 AromaticContact CE1-CE2 3.95Å; F252-F292 HydrophobicContact CE1-CE2 3.95Å; F252-F292 AromaticContact CE1-CZ 3.91Å; F252-F292 HydrophobicContact CE1-CZ 3.91Å; F252-F292 HydrophobicContact CZ-CD1 4.3Å; F252-F292 HydrophobicContact CZ-CE1 4.13Å; F252-F292 HydrophobicContact CZ-CZ 4.27Å; T290-F292 PolarHBondContact O-N 3.47Å; T290-F292 VanDerWaalsContact O-N 3.08Å
293G86.3Confident93.4Very high32 Ų3258.4 Ų58.433%0.3329%0.286SS..SBendtrans86.410.217500000115.6T289 T290 G291T289-G293 VanDerWaalsContact CG2-C 3.49Å; T290-G293 PolarHBondContact O-N 3.37Å; G291-G293 VanDerWaalsContact C-N 3.28Å; G291-G293 PolarHBondContact O-N 2.95Å
294R91.4Very high93.2Very high196 Ų19658.2 Ų58.274%0.7429%0.286SS*.  trans-82.1127.7174.8-61.3-175.4-179.3-178.6-0.4110.4T289 T290T289-R294 CarbonylContact C-O 3.53Å; T289-R294 WeakPolarHBondContact CA-O 2.95Å; T290-R294 HydrophobicContact CG2-CB 4.34Å; T290-R294 PolarHBondContact N-O 3.19Å; T290-R294 WeakPolarHBondContact OG1-CB 3.46Å; T290-R294 PolarHBondContact OG1-N 3.34Å; T290-R294 PolarHBondContact OG1-O 3.27Å
295N94Very high93Very high38 Ų3860.9 Ų60.920%0.20330%0.301CS..EExtended strand (participates in β ladder)trans-80146.8176.4-59.1-34.8000110.8N263 E266 A288 T289N263-N295 WeakPolarHBondContact CB-OD1 3.17Å; N263-N295 VanDerWaalsContact CG-ND2 3.33Å; N263-N295 VanDerWaalsContact CG-OD1 3.22Å; N263-N295 PolarHBondContact OD1-ND2 3.39Å; E266-N295 HydrophobicContact CB-CB 4.2Å; E266-N295 HydrophobicContact CG-CB 3.79Å; A288-N295 CarbonylContact O-C 3.54Å; A288-N295 VanDerWaalsContact O-CA 3.3Å; A288-N295 WeakPolarHBondContact O-CA 3.39Å; T289-N295 WeakPolarHBondContact CG2-OD1 3.4Å; T289-N295 PolarHBondContact OG1-OD1 2.78Å
296Y94.6Very high92.8Very high79 Ų7964.3 Ų64.331%0.3132%0.317SS..EExtended strand (participates in β ladder)trans-158.5175.217569.6-77.1000109.6N255 A288 T290 M298N255-Y296 HydrophobicContact CB-CE1 4.39Å; N255-Y296 WeakPolarHBondContact CB-OH 3.49Å; N255-Y296 VanDerWaalsContact CG-OH 3.31Å; N255-Y296 PolarHBondContact ND2-OH 2.7Å; A288-Y296 HydrophobicContact CB-CD1 4.09Å; A288-Y296 HydrophobicContact CB-CD2 4.33Å; A288-Y296 HydrophobicContact CB-CE1 3.65Å; A288-Y296 HydrophobicContact CB-CE2 3.94Å; A288-Y296 HydrophobicContact CB-CG 4.41Å; A288-Y296 PolarHBondContact N-O 3.21Å; A288-Y296 PolarHBondContact O-N 3.27Å; A288-Y296 VanDerWaalsContact O-O 3.1Å; T290-Y296 HydrophobicContact CG2-CD1 3.69Å; T290-Y296 HydrophobicContact CG2-CE1 3.58Å; Y296-M298 HydrophobicContact CD2-CG 4.02Å; Y296-M298 HydrophobicContact CE2-CG 3.35Å; Y296-M298 HydrophobicContact CE2-SD 3.87Å
297I95Very high92.8Very high45 Ų4568 Ų6823%0.23134%0.337CS..EExtended strand (participates in β ladder)trans-112.2137-175.2-56.5162.7000109.1E266 A267 W270 Y285 L286E266-I297 HydrophobicContact CG-CG1 4.23Å; A267-I297 HydrophobicContact CB-CG1 4.47Å; A267-I297 HydrophobicContact CB-CG2 4.36Å; W270-I297 HydrophobicContact CB-CD1 3.11Å; W270-I297 HydrophobicContact CB-CG1 4.31Å; W270-I297 HydrophobicContact CD2-CD1 3.34Å; W270-I297 HydrophobicContact CE3-CD1 3.99Å; W270-I297 HydrophobicContact CG-CD1 2.93Å; W270-I297 HydrophobicContact CG-CG1 4.37Å; Y285-I297 HydrophobicContact CD1-CG2 4.48Å; L286-I297 WeakPolarHBondContact O-CA 3.35Å
298M94.7Very high92.9Very high63 Ų6369.4 Ų69.431%0.3135%0.346SS..EExtended strand (participates in β ladder)trans-115.9151168.8-64-177.869.200109.9N255 Y285 L286 A288 Y296N255-M298 PolarHBondContact ND2-SD 2.78Å; Y285-M298 CarbonylContact C-O 3.58Å; L286-M298 HydrophobicContact CB-CB 4.29Å; L286-M298 WeakPolarHBondContact CD1-O 3.41Å; L286-M298 PolarHBondContact N-O 3.09Å; L286-M298 PolarHBondContact O-N 3.13Å; A288-M298 HydrophobicContact CB-CG 3.92Å; A288-M298 HydrophobicContact CB-SD 3.87Å; Y296-M298 HydrophobicContact CD2-CG 4.02Å; Y296-M298 HydrophobicContact CE2-CG 3.35Å; Y296-M298 HydrophobicContact CE2-SD 3.87Å
299T95.3Very high93.1Very high93 Ų9369.4 Ų69.457%0.57135%0.346SS*.EExtended strand (participates in β ladder)trans-111137.8171.953.20000109.4I283 Y285I283-T299 HydrophobicContact CG2-CG2 3.86Å; Y285-T299 HydrophobicContact CD1-CG2 3.79Å; Y285-T299 HydrophobicContact CE1-CG2 3.82Å
300Q94.3Very high93.5Very high93 Ų9371.3 Ų71.344%0.43535%0.354SS..EExtended strand (participates in β ladder)trans-132.6128.2174.3-175-177.6-19.900109.1K284 L286 M302K284-Q300 PolarHBondContact N-O 3.05Å; K284-Q300 PolarHBondContact O-N 2.82Å; L286-Q300 HydrophobicContact CD1-CB 3.55Å; Q300-M302 PolarHBondContact O-N 3.41Å
301K95.9Very high93.9Very high157 Ų15774.2 Ų74.268%0.68336%0.363SS*.EExtended strand (participates in β ladder)trans-64.6128.1169.7-172.7176.9179.8-179.60109.1I283I283-K301 HydrophobicContact CD1-CB 4.21Å
302M95.6Very high94.5Very high12 Ų1273.4 Ų73.46%0.05936%0.355CS..  trans-71.9135.3177.8-64.1-172.1-75.200110.2D201 V205 V220 P281 L282 K284 Q300 L304D201-M302 HydrophobicContact CB-SD 3.72Å; V205-M302 HydrophobicContact CG2-CE 3.79Å; V220-M302 HydrophobicContact CB-SD 4.17Å; V220-M302 HydrophobicContact CG1-SD 4.41Å; V220-M302 HydrophobicContact CG2-CE 4.12Å; V220-M302 HydrophobicContact CG2-SD 4.02Å; P281-M302 WeakPolarHBondContact O-CE 3.3Å; L282-M302 PolarHBondContact O-N 3.35Å; K284-M302 HydrophobicContact CB-CG 3.73Å; K284-M302 HydrophobicContact CB-SD 4.09Å; Q300-M302 PolarHBondContact O-N 3.41Å; M302-L304 VanDerWaalsContact C-N 3.27Å; M302-L304 HydrophobicContact CB-CD2 3.63Å; M302-L304 HydrophobicContact CB-CG 3.9Å; M302-L304 HydrophobicContact CE-CD2 4.04Å; M302-L304 HydrophobicContact CG-CD2 4.43Å; M302-L304 PolarHBondContact O-N 2.98Å; M302-L304 VanDerWaalsContact O-N 3.08Å; M302-L304 HydrophobicContact SD-CD2 4.05Å
303D93.9Very high95Very high118 Ų11865.3 Ų65.363%0.63132%0.319SS*.  trans-83.174.2174179.725.9000109.9Y198Y198-D303 VanDerWaalsContact CE2-O 3.26Å; Y198-D303 WeakPolarHBondContact CE2-O 3.35Å; Y198-D303 PolarHBondContact OH-O 3.06Å
304L93.9Very high95.6Very high28 Ų2867.8 Ų67.815%0.14732%0.322CS..  trans-139.3164.3179.663.679.7000111.3Y198 D201 L202 V205 L282 M302Y198-L304 HydrophobicContact CE2-CB 4.39Å; Y198-L304 WeakPolarHBondContact OH-CA 3.45Å; D201-L304 HydrophobicContact CB-CD2 3.99Å; L202-L304 HydrophobicContact CD2-CB 3.82Å; L202-L304 HydrophobicContact CD2-CD2 4.48Å; V205-L304 HydrophobicContact CB-CD1 4.46Å; V205-L304 HydrophobicContact CG1-CD1 4.32Å; V205-L304 HydrophobicContact CG2-CD1 3.99Å; V205-L304 HydrophobicContact CG2-CD2 3.85Å; L282-L304 HydrophobicContact CD2-CD1 4.15Å; M302-L304 VanDerWaalsContact C-N 3.27Å; M302-L304 HydrophobicContact CB-CD2 3.63Å; M302-L304 HydrophobicContact CB-CG 3.9Å; M302-L304 HydrophobicContact CE-CD2 4.04Å; M302-L304 HydrophobicContact CG-CD2 4.43Å; M302-L304 PolarHBondContact O-N 2.98Å; M302-L304 VanDerWaalsContact O-N 3.08Å; M302-L304 HydrophobicContact SD-CD2 4.05Å
305D91.1Very high95.9Very high67 Ų6761.1 Ų61.136%0.35830%0.298SS..  trans-116.2131.2177.8167.566.6000108.9D307 T308 A309D305-D307 VanDerWaalsContact C-N 3.32Å; D305-D307 PolarHBondContact O-N 3.35Å; D305-D307 WeakPolarHBondContact OD2-CB 3.27Å; D305-D307 PolarHBondContact OD2-N 3.08Å; D305-T308 WeakPolarHBondContact O-CB 3.46Å; D305-T308 PolarHBondContact O-N 2.95Å; D305-T308 WeakPolarHBondContact OD2-CB 3.43Å; D305-T308 PolarHBondContact OD2-N 2.93Å; D305-T308 PolarHBondContact OD2-OG1 3.4Å; D305-A309 PolarHBondContact O-N 3.38Å
306E94.7Very high96.1Very high86 Ų8659.3 Ų59.340%0.40229%0.289SS..Hα-helixtrans-68.3-31.2-175-69.5-176.2-122.800112.5V205 L282 A309 E310V205-E306 HydrophobicContact CG1-CG 4.11Å; L282-E306 HydrophobicContact CD2-CG 4.05Å; E306-A309 WeakPolarHBondContact O-CB 3.3Å; E306-A309 PolarHBondContact O-N 2.82Å; E306-E310 PolarHBondContact O-N 3.09Å
307D96.3Very high96.3Very high80 Ų8056.9 Ų56.943%0.42828%0.281SS..Hα-helixtrans-68.3-41.3174.5173.373.8000111.1D305 A309 E310 K311D305-D307 VanDerWaalsContact C-N 3.32Å; D305-D307 PolarHBondContact O-N 3.35Å; D305-D307 WeakPolarHBondContact OD2-CB 3.27Å; D305-D307 PolarHBondContact OD2-N 3.08Å; D307-A309 VanDerWaalsContact C-N 3.31Å; D307-A309 PolarHBondContact O-N 3.36Å; D307-E310 PolarHBondContact O-N 3.04Å; D307-K311 WeakPolarHBondContact O-CB 3.48Å; D307-K311 WeakPolarHBondContact O-CG 3.38Å; D307-K311 PolarHBondContact O-N 3.08Å; D307-K311 IonicContact OD1-NZ 3.21Å; D307-K311 WeakPolarHBondContact OD2-CE 3.39Å; D307-K311 IonicContact OD2-NZ 3.3Å; D307-K311 PolarHBondContact OD2-NZ 2.84Å
308T96.7Very high96.4Very high29 Ų2960.7 Ų60.718%0.17830%0.298CS..Hα-helixtrans-60.3-41171.2-58.90000111.5L181 L202 D305 F312L181-T308 HydrophobicContact CD1-CG2 3.99Å; L181-T308 HydrophobicContact CD2-CG2 4.32Å; L181-T308 HydrophobicContact CG-CG2 4.18Å; L202-T308 HydrophobicContact CD1-CG2 4.2Å; L202-T308 HydrophobicContact CD2-CG2 4.15Å; D305-T308 WeakPolarHBondContact O-CB 3.46Å; D305-T308 PolarHBondContact O-N 2.95Å; D305-T308 WeakPolarHBondContact OD2-CB 3.43Å; D305-T308 PolarHBondContact OD2-N 2.93Å; D305-T308 PolarHBondContact OD2-OG1 3.4Å; T308-F312 WeakPolarHBondContact O-CB 3.35Å; T308-F312 PolarHBondContact O-N 2.94Å
309A97.9Very high96.6Very high0 Ų058.9 Ų58.90%029%0.289CS..Hα-helixtrans-62.4-45176.300000111.8L202 V205 A206 D305 E306 D307 F312 Y313L202-A309 HydrophobicContact CB-CB 4.23Å; L202-A309 HydrophobicContact CD2-CB 3.9Å; L202-A309 WeakPolarHBondContact O-CB 3.28Å; V205-A309 HydrophobicContact CB-CB 4.34Å; V205-A309 HydrophobicContact CG1-CB 4.3Å; A206-A309 HydrophobicContact CB-CB 4.32Å; D305-A309 PolarHBondContact O-N 3.38Å; E306-A309 WeakPolarHBondContact O-CB 3.3Å; E306-A309 PolarHBondContact O-N 2.82Å; D307-A309 VanDerWaalsContact C-N 3.31Å; D307-A309 PolarHBondContact O-N 3.36Å; A309-F312 PolarHBondContact O-N 3.12Å; A309-Y313 PolarHBondContact O-N 3.41Å
310E98.1Very high96.7Very high40 Ų4055.2 Ų55.219%0.18727%0.265CS..Hα-helixtrans-66.2-44.6177.6-173.754.6-140.700111.8N210 E306 D307 F312 Y313 Q314N210-E310 PolarHBondContact ND2-OE2 3.46Å; E306-E310 PolarHBondContact O-N 3.09Å; D307-E310 PolarHBondContact O-N 3.04Å; E310-F312 VanDerWaalsContact C-N 3.28Å; E310-F312 PolarHBondContact O-N 3.19Å; E310-Y313 WeakPolarHBondContact O-CB 3.28Å; E310-Y313 PolarHBondContact O-N 3.29Å; E310-Y313 VanDerWaalsContact O-N 3.13Å; E310-Q314 WeakPolarHBondContact O-CG 3.24Å; E310-Q314 PolarHBondContact O-N 3.22Å; E310-Q314 PolarHBondContact OE1-NE2 3.39Å
311K98.3Very high96.7Very high106 Ų10657.8 Ų57.846%0.46128%0.275SS..Hα-helixtrans-58.2-40.7174.1-76.1170.2178.4165.60112.3L181 D307 Q314 K315L181-K311 HydrophobicContact CD1-CB 4.26Å; L181-K311 HydrophobicContact CD1-CD 4.44Å; D307-K311 WeakPolarHBondContact O-CB 3.48Å; D307-K311 WeakPolarHBondContact O-CG 3.38Å; D307-K311 PolarHBondContact O-N 3.08Å; D307-K311 IonicContact OD1-NZ 3.21Å; D307-K311 WeakPolarHBondContact OD2-CE 3.39Å; D307-K311 IonicContact OD2-NZ 3.3Å; D307-K311 PolarHBondContact OD2-NZ 2.84Å; K311-Q314 PolarHBondContact O-N 2.99Å; K311-K315 PolarHBondContact O-N 2.99Å; K311-K315 VanDerWaalsContact O-N 3.11Å
312F98.5Very high96.7Very high0 Ų056.1 Ų56.10%027%0.27CS..Hα-helixtrans-63.8-45.4175.4178.7-125.9000111.4F139 V143 F179 L181 F184 A199 L202 L203 T308 A309 E310 Q314 K315 L316F139-F312 HydrophobicContact CE2-CE2 4.42Å; F139-F312 HydrophobicContact CE2-CZ 4.22Å; V143-F312 HydrophobicContact CG1-CE1 4.28Å; V143-F312 HydrophobicContact CG1-CZ 4.07Å; F179-F312 HydrophobicContact CE2-CD2 4.43Å; F179-F312 HydrophobicContact CE2-CE2 4.28Å; F179-F312 AromaticContact CZ-CD2 3.83Å; F179-F312 HydrophobicContact CZ-CD2 3.83Å; F179-F312 HydrophobicContact CZ-CE2 4.14Å; F179-F312 HydrophobicContact CZ-CG 4.14Å; L181-F312 HydrophobicContact CD2-CB 3.8Å; L181-F312 HydrophobicContact CD2-CD2 4.46Å; F184-F312 HydrophobicContact CB-CD2 4.11Å; F184-F312 HydrophobicContact CB-CE2 3.75Å; F184-F312 HydrophobicContact CD2-CE2 4.02Å; F184-F312 HydrophobicContact CG-CD2 4.46Å; F184-F312 HydrophobicContact CG-CE2 4.04Å; A199-F312 HydrophobicContact CB-CE1 3.81Å; A199-F312 HydrophobicContact CB-CZ 3.75Å; A199-F312 WeakPolarHBondContact O-CE1 3.34Å; L202-F312 HydrophobicContact CB-CD1 3.95Å; L202-F312 HydrophobicContact CD1-CB 4.47Å; L202-F312 HydrophobicContact CD1-CD1 4.4Å; L203-F312 HydrophobicContact CB-CD1 4.5Å; L203-F312 HydrophobicContact CB-CE1 4.15Å; T308-F312 WeakPolarHBondContact O-CB 3.35Å; T308-F312 PolarHBondContact O-N 2.94Å; A309-F312 PolarHBondContact O-N 3.12Å; E310-F312 VanDerWaalsContact C-N 3.28Å; E310-F312 PolarHBondContact O-N 3.19Å; F312-Q314 VanDerWaalsContact C-N 3.34Å; F312-Q314 PolarHBondContact O-N 3.01Å; F312-K315 WeakPolarHBondContact O-CB 3.48Å; F312-K315 PolarHBondContact O-N 2.69Å; F312-L316 HydrophobicContact CD1-CD1 4.41Å; F312-L316 HydrophobicContact CD2-CG 4.45Å; F312-L316 HydrophobicContact CE1-CD1 3.85Å; F312-L316 HydrophobicContact CE1-CG 4.34Å; F312-L316 HydrophobicContact CE2-CD1 4.38Å; F312-L316 HydrophobicContact CE2-CD2 3.77Å; F312-L316 HydrophobicContact CE2-CG 4.01Å; F312-L316 HydrophobicContact CZ-CD1 3.82Å; F312-L316 HydrophobicContact CZ-CD2 3.8Å; F312-L316 HydrophobicContact CZ-CG 3.96Å; F312-L316 WeakPolarHBondContact O-CG 3.47Å; F312-L316 PolarHBondContact O-N 3.16Å
313Y98.6Very high96.5Very high10 Ų1056.2 Ų56.24%0.03927%0.27CS..Hα-helixtrans-57.9-43.1175.6177.2-107.3000112.5F147 L203 A206 L207 A309 E310 K315 L316 L317F147-Y313 AromaticContact CE2-CD2 3.88Å; F147-Y313 HydrophobicContact CE2-CD2 3.88Å; F147-Y313 AromaticContact CE2-CE2 3.64Å; F147-Y313 HydrophobicContact CE2-CE2 3.64Å; F147-Y313 HydrophobicContact CZ-CE2 4.31Å; L203-Y313 HydrophobicContact CD1-CD2 3.95Å; A206-Y313 HydrophobicContact CB-CD2 4.4Å; A206-Y313 HydrophobicContact CB-CG 4.1Å; L207-Y313 HydrophobicContact CD2-CD2 4.4Å; L207-Y313 HydrophobicContact CD2-CE2 3.8Å; A309-Y313 PolarHBondContact O-N 3.41Å; E310-Y313 WeakPolarHBondContact O-CB 3.28Å; E310-Y313 PolarHBondContact O-N 3.29Å; E310-Y313 VanDerWaalsContact O-N 3.13Å; Y313-K315 PolarHBondContact O-N 3.19Å; Y313-L316 WeakPolarHBondContact O-CB 3.48Å; Y313-L316 PolarHBondContact O-N 3.35Å; Y313-L316 VanDerWaalsContact O-N 3.13Å; Y313-L317 HydrophobicContact CD1-CD1 3.97Å; Y313-L317 HydrophobicContact CE1-CD1 3.51Å; Y313-L317 HydrophobicContact CE1-CG 4.19Å; Y313-L317 PolarHBondContact O-N 3Å
314Q98.4Very high96.5Very high84 Ų8454 Ų5439%0.39325%0.253SS..Hα-helixtrans-61.7-42.7175.1-64.6-56.2-36.500112.4E310 K311 F312 L316 L317 E318E310-Q314 WeakPolarHBondContact O-CG 3.24Å; E310-Q314 PolarHBondContact O-N 3.22Å; E310-Q314 PolarHBondContact OE1-NE2 3.39Å; K311-Q314 PolarHBondContact O-N 2.99Å; F312-Q314 VanDerWaalsContact C-N 3.34Å; F312-Q314 PolarHBondContact O-N 3.01Å; Q314-L316 VanDerWaalsContact C-N 3.27Å; Q314-L316 PolarHBondContact O-N 2.74Å; Q314-L317 WeakPolarHBondContact O-CB 3.44Å; Q314-L317 PolarHBondContact O-N 3.46Å; Q314-L317 VanDerWaalsContact O-N 3.16Å; Q314-E318 WeakPolarHBondContact O-CG 3.4Å; Q314-E318 PolarHBondContact O-N 2.92Å
315K98.4Very high96.3Very high56 Ų5656 Ų5624%0.24327%0.266CS..Hα-helixtrans-60.2-35.9173.5-75-178.9-179.9-90.70112.2L181 E182 F184 K311 F312 Y313 E318 L319L181-K315 WeakPolarHBondContact O-CD 3.32Å; L181-K315 WeakPolarHBondContact O-CE 3.42Å; L181-K315 PolarHBondContact O-NZ 3.35Å; E182-K315 IonicContact OE2-NZ 2.91Å; E182-K315 PolarHBondContact OE2-NZ 3.3Å; F184-K315 HydrophobicContact CD1-CD 3.87Å; F184-K315 HydrophobicContact CE1-CB 4.18Å; F184-K315 HydrophobicContact CE1-CD 4Å; K311-K315 PolarHBondContact O-N 2.99Å; K311-K315 VanDerWaalsContact O-N 3.11Å; F312-K315 WeakPolarHBondContact O-CB 3.48Å; F312-K315 PolarHBondContact O-N 2.69Å; Y313-K315 PolarHBondContact O-N 3.19Å; K315-E318 PolarHBondContact O-N 2.72Å; K315-L319 WeakPolarHBondContact O-CB 3.48Å; K315-L319 PolarHBondContact O-N 3.18Å
316L98.5Very high96.1Very high0 Ų055.7 Ų55.70%027%0.267CS..Hα-helixtrans-68.6-38.6175-63.8-175000112.5F139 F144 F147 L203 F312 Y313 Q314 E318 L319 E320F139-L316 HydrophobicContact CE2-CD2 4.13Å; F139-L316 HydrophobicContact CZ-CD2 3.68Å; F144-L316 HydrophobicContact CD2-CD2 4.07Å; F147-L316 HydrophobicContact CB-CD1 4.46Å; F147-L316 HydrophobicContact CD1-CB 4.11Å; F147-L316 HydrophobicContact CD1-CD1 4.45Å; F147-L316 HydrophobicContact CD2-CD1 4.02Å; F147-L316 HydrophobicContact CE1-CB 3.78Å; F147-L316 HydrophobicContact CE2-CB 4.2Å; F147-L316 HydrophobicContact CE2-CD1 4.35Å; F147-L316 HydrophobicContact CG-CB 4.45Å; F147-L316 HydrophobicContact CG-CD1 4.05Å; F147-L316 HydrophobicContact CZ-CB 3.82Å; L203-L316 HydrophobicContact CD1-CD1 3.76Å; L203-L316 HydrophobicContact CD2-CD1 3.91Å; L203-L316 HydrophobicContact CG-CD1 4.38Å; F312-L316 HydrophobicContact CD1-CD1 4.41Å; F312-L316 HydrophobicContact CD2-CG 4.45Å; F312-L316 HydrophobicContact CE1-CD1 3.85Å; F312-L316 HydrophobicContact CE1-CG 4.34Å; F312-L316 HydrophobicContact CE2-CD1 4.38Å; F312-L316 HydrophobicContact CE2-CD2 3.77Å; F312-L316 HydrophobicContact CE2-CG 4.01Å; F312-L316 HydrophobicContact CZ-CD1 3.82Å; F312-L316 HydrophobicContact CZ-CD2 3.8Å; F312-L316 HydrophobicContact CZ-CG 3.96Å; F312-L316 WeakPolarHBondContact O-CG 3.47Å; F312-L316 PolarHBondContact O-N 3.16Å; Y313-L316 WeakPolarHBondContact O-CB 3.48Å; Y313-L316 PolarHBondContact O-N 3.35Å; Y313-L316 VanDerWaalsContact O-N 3.13Å; Q314-L316 VanDerWaalsContact C-N 3.27Å; Q314-L316 PolarHBondContact O-N 2.74Å; L316-E318 VanDerWaalsContact C-N 3.35Å; L316-L319 PolarHBondContact O-N 3.34Å; L316-E320 WeakPolarHBondContact O-CB 3.46Å; L316-E320 PolarHBondContact O-N 2.95Å
317L98.3Very high95.6Very high27 Ų2752.6 Ų52.614%0.14125%0.253CS..Hα-helixtrans-64.5-39174.5-70.2173000112F147 Y313 Q314 K321F147-L317 HydrophobicContact CZ-CD2 3.9Å; F147-L317 HydrophobicContact CZ-CG 4.3Å; Y313-L317 HydrophobicContact CD1-CD1 3.97Å; Y313-L317 HydrophobicContact CE1-CD1 3.51Å; Y313-L317 HydrophobicContact CE1-CG 4.19Å; Y313-L317 PolarHBondContact O-N 3Å; Q314-L317 WeakPolarHBondContact O-CB 3.44Å; Q314-L317 PolarHBondContact O-N 3.46Å; Q314-L317 VanDerWaalsContact O-N 3.16Å; L317-K321 WeakPolarHBondContact O-CG 3.23Å; L317-K321 PolarHBondContact O-N 3.35Å; L317-K321 VanDerWaalsContact O-N 3.11Å
318E97.8Very high94.8Very high126 Ų12654.7 Ų54.759%0.58926%0.26SS*.Hα-helixtrans-63.8-45173.2-71.4176.9177.800111.6Q314 K315 L316 E320 K321 H322Q314-E318 WeakPolarHBondContact O-CG 3.4Å; Q314-E318 PolarHBondContact O-N 2.92Å; K315-E318 PolarHBondContact O-N 2.72Å; L316-E318 VanDerWaalsContact C-N 3.35Å; E318-E320 PolarHBondContact O-N 3.06Å; E318-K321 PolarHBondContact O-N 2.93Å; E318-H322 PolarHBondContact O-N 3.11Å; E318-H322 VanDerWaalsContact O-N 3.08Å
319L97.3Very high94Very high24 Ų2459.6 Ų59.613%0.12628%0.279CS..Hα-helixtrans-61.9-43.3176.4-177.360.5000111.7L135 F139 F144 F184 K315 L316 K321 H322 I323L135-L319 HydrophobicContact CD2-CD1 4.2Å; L135-L319 HydrophobicContact CD2-CD2 4.2Å; F139-L319 HydrophobicContact CE1-CD2 3.93Å; F139-L319 HydrophobicContact CZ-CD2 4.2Å; F144-L319 HydrophobicContact CD1-CD2 4.44Å; F144-L319 HydrophobicContact CD2-CD2 4Å; F144-L319 HydrophobicContact CE1-CD2 4.22Å; F144-L319 HydrophobicContact CE1-CG 4.26Å; F144-L319 HydrophobicContact CE2-CB 4.13Å; F144-L319 HydrophobicContact CE2-CD2 3.76Å; F144-L319 HydrophobicContact CE2-CG 3.88Å; F144-L319 HydrophobicContact CG-CD2 4.32Å; F144-L319 HydrophobicContact CZ-CB 4.23Å; F144-L319 HydrophobicContact CZ-CD2 3.87Å; F144-L319 HydrophobicContact CZ-CG 3.67Å; F184-L319 HydrophobicContact CE2-CD2 4.03Å; F184-L319 HydrophobicContact CZ-CD2 4.38Å; K315-L319 WeakPolarHBondContact O-CB 3.48Å; K315-L319 PolarHBondContact O-N 3.18Å; L316-L319 PolarHBondContact O-N 3.34Å; L319-K321 PolarHBondContact O-N 3.21Å; L319-H322 PolarHBondContact O-N 3.01Å; L319-I323 HydrophobicContact CD1-CG1 4.16Å; L319-I323 HydrophobicContact CG-CG1 4.35Å; L319-I323 WeakPolarHBondContact O-CG1 3.44Å; L319-I323 PolarHBondContact O-N 3.18Å
320E97.2Very high93.1Very high16 Ų1663.4 Ų63.48%0.07530%0.302CS..Hα-helixtrans-55.3-49.1174.7173.3-179.1-169.400111.5F144 F147 I148 R151 L316 E318 H322 I323 R324F144-E320 HydrophobicContact CZ-CB 4.42Å; F147-E320 HydrophobicContact CE1-CB 4.21Å; I148-E320 HydrophobicContact CD1-CB 3.88Å; I148-E320 HydrophobicContact CD1-CG 3.62Å; R151-E320 IonicContact NE-OE2 3.38Å; L316-E320 WeakPolarHBondContact O-CB 3.46Å; L316-E320 PolarHBondContact O-N 2.95Å; E318-E320 PolarHBondContact O-N 3.06Å; E320-H322 VanDerWaalsContact C-N 3.3Å; E320-H322 PolarHBondContact O-N 3.28Å; E320-I323 PolarHBondContact O-N 3.09Å; E320-R324 HydrophobicContact CG-CG 4.43Å; E320-R324 WeakPolarHBondContact O-CG 3.39Å; E320-R324 PolarHBondContact O-N 3.23Å; E320-R324 IonicContact OE1-CZ 2.78Å; E320-R324 VanDerWaalsContact OE1-CZ 3.22Å; E320-R324 IonicContact OE1-NE 2.84Å; E320-R324 PolarHBondContact OE1-NE 3.32Å; E320-R324 IonicContact OE1-NH2 3.03Å; E320-R324 PolarHBondContact OE1-NH2 2.84Å
321K96.3Very high91.9Very high147 Ų14765.4 Ų65.464%0.63931%0.314SS*.Hα-helixtrans-57.8-45.2177.9-71.5170-173.9173.60111.2L317 E318 L319 V325L317-K321 WeakPolarHBondContact O-CG 3.23Å; L317-K321 PolarHBondContact O-N 3.35Å; L317-K321 VanDerWaalsContact O-N 3.11Å; E318-K321 PolarHBondContact O-N 2.93Å; L319-K321 PolarHBondContact O-N 3.21Å; K321-V325 WeakPolarHBondContact O-CG2 3.38Å; K321-V325 PolarHBondContact O-N 3.15Å
322H94.3Very high90.6Very high122 Ų12265.8 Ų65.857%0.56532%0.321SS*.Hα-helixtrans-61.8-48.6179-175.374.2000111.9E318 L319 E320 R324 V325 T326E318-H322 PolarHBondContact O-N 3.11Å; E318-H322 VanDerWaalsContact O-N 3.08Å; L319-H322 PolarHBondContact O-N 3.01Å; E320-H322 VanDerWaalsContact C-N 3.3Å; E320-H322 PolarHBondContact O-N 3.28Å; H322-R324 PolarHBondContact O-N 3.3Å; H322-V325 PolarHBondContact O-N 3.27Å; H322-T326 PolarHBondContact O-N 3.47Å; H322-T326 PolarHBondContact O-OG1 3.32Å
323I92.7Very high88.9Confident14 Ų1472.6 Ų72.67%0.07235%0.353CS..Hα-helixtrans-63.8-42.4-178.7-68.2-64.1000112.1L67 F144 L319 E320 V325 T326 I327L67-I323 HydrophobicContact CD1-CG2 3.51Å; F144-I323 HydrophobicContact CE1-CG1 4.14Å; F144-I323 HydrophobicContact CZ-CG1 4.36Å; L319-I323 HydrophobicContact CD1-CG1 4.16Å; L319-I323 HydrophobicContact CG-CG1 4.35Å; L319-I323 WeakPolarHBondContact O-CG1 3.44Å; L319-I323 PolarHBondContact O-N 3.18Å; E320-I323 PolarHBondContact O-N 3.09Å; I323-V325 VanDerWaalsContact C-N 3.3Å; I323-V325 PolarHBondContact O-N 3.07Å; I323-T326 PolarHBondContact O-N 2.87Å; I323-T326 VanDerWaalsContact O-N 3.14Å; I323-I327 HydrophobicContact CG2-CD1 3.68Å; I323-I327 HydrophobicContact CG2-CG1 4.32Å; I323-I327 PolarHBondContact O-N 2.78Å
324R92.3Very high87.3Confident73 Ų7375 Ų7528%0.27538%0.375SS..Hα-helixtrans-60.2-40.1177.6-72.6-179.8-175.5-82.14.4112.1F71 E152 E320 H322 Q328F71-R324 VanDerWaalsContact CE1-NH1 3.25Å; F71-R324 HydrophobicContact CZ-CG 4.46Å; E152-R324 IonicContact OE1-CZ 3.2Å; E152-R324 VanDerWaalsContact OE1-CZ 3.23Å; E152-R324 IonicContact OE1-NH1 2.64Å; E152-R324 PolarHBondContact OE1-NH1 2.97Å; E152-R324 IonicContact OE1-NH2 3.75Å; E152-R324 PolarHBondContact OE1-NH2 3.13Å; E320-R324 HydrophobicContact CG-CG 4.43Å; E320-R324 WeakPolarHBondContact O-CG 3.39Å; E320-R324 PolarHBondContact O-N 3.23Å; E320-R324 IonicContact OE1-CZ 2.78Å; E320-R324 VanDerWaalsContact OE1-CZ 3.22Å; E320-R324 IonicContact OE1-NE 2.84Å; E320-R324 PolarHBondContact OE1-NE 3.32Å; E320-R324 IonicContact OE1-NH2 3.03Å; E320-R324 PolarHBondContact OE1-NH2 2.84Å; H322-R324 PolarHBondContact O-N 3.3Å; R324-Q328 WeakPolarHBondContact O-CB 3.26Å; R324-Q328 VanDerWaalsContact O-CG 3.3Å; R324-Q328 WeakPolarHBondContact O-CG 3.48Å; R324-Q328 PolarHBondContact O-N 3.47Å
325V90.7Very high85.2Confident68 Ų6873 Ų7341%0.41238%0.376SS..Hα-helixtrans-65-42.6175.2171.20000111.1K321 H322 I323 K329K321-V325 WeakPolarHBondContact O-CG2 3.38Å; K321-V325 PolarHBondContact O-N 3.15Å; H322-V325 PolarHBondContact O-N 3.27Å; I323-V325 VanDerWaalsContact C-N 3.3Å; I323-V325 PolarHBondContact O-N 3.07Å; V325-K329 HydrophobicContact CG1-CD 4.33Å; V325-K329 WeakPolarHBondContact O-CG 3.38Å; V325-K329 PolarHBondContact O-N 3.18Å; V325-K329 VanDerWaalsContact O-N 3.16Å
326T87.1Confident82.9Confident61 Ų6177.7 Ų77.737%0.37440%0.399SS..Hα-helixtrans-62.6-47.6178.5-61.40000111.2H322 I323 Q328 K329 T330H322-T326 PolarHBondContact O-N 3.47Å; H322-T326 PolarHBondContact O-OG1 3.32Å; I323-T326 PolarHBondContact O-N 2.87Å; I323-T326 VanDerWaalsContact O-N 3.14Å; T326-Q328 PolarHBondContact O-N 3.01Å; T326-K329 WeakPolarHBondContact O-CB 3.42Å; T326-K329 PolarHBondContact O-N 3.32Å; T326-T330 PolarHBondContact O-N 2.86Å; T326-T330 VanDerWaalsContact O-N 3.08Å; T326-T330 PolarHBondContact O-OG1 3.27Å; T326-T330 VanDerWaalsContact O-OG1 3.12Å
327I83.3Confident80.6Confident21 Ų2182 Ų8211%0.10843%0.429CS..Hα-helixtrans-60.4-47178.3-76.9171.3000111.8L67 F71 I323 K329 T330 D331L67-I327 HydrophobicContact CB-CD1 4.33Å; F71-I327 HydrophobicContact CD2-CD1 4.35Å; F71-I327 HydrophobicContact CE2-CD1 3.69Å; I323-I327 HydrophobicContact CG2-CD1 3.68Å; I323-I327 HydrophobicContact CG2-CG1 4.32Å; I323-I327 PolarHBondContact O-N 2.78Å; I327-K329 VanDerWaalsContact C-N 3.26Å; I327-K329 PolarHBondContact O-N 3.08Å; I327-T330 PolarHBondContact O-N 2.91Å; I327-T330 VanDerWaalsContact O-N 3.12Å; I327-D331 PolarHBondContact O-N 2.91Å
328Q80.9Confident78Confident124 Ų12483.8 Ų83.858%0.57945%0.454SS*.Hα-helixtrans-59.4-36.9178.1-76.3174.6-600112.5R324 T326 N332R324-Q328 WeakPolarHBondContact O-CB 3.26Å; R324-Q328 VanDerWaalsContact O-CG 3.3Å; R324-Q328 WeakPolarHBondContact O-CG 3.48Å; R324-Q328 PolarHBondContact O-N 3.47Å; T326-Q328 PolarHBondContact O-N 3.01Å; Q328-N332 WeakPolarHBondContact O-CB 3.46Å; Q328-N332 PolarHBondContact O-N 2.97Å; Q328-N332 VanDerWaalsContact O-N 3.09Å; Q328-N332 PolarHBondContact O-ND2 3.42Å
329K79.9Confident75.4Confident132 Ų13282.5 Ų82.557%0.57446%0.459SS*.Hα-helixtrans-66.5-43.5175.5-73.3175-179.8-179.80111.7V325 T326 I327 N332 Q333V325-K329 HydrophobicContact CG1-CD 4.33Å; V325-K329 WeakPolarHBondContact O-CG 3.38Å; V325-K329 PolarHBondContact O-N 3.18Å; V325-K329 VanDerWaalsContact O-N 3.16Å; T326-K329 WeakPolarHBondContact O-CB 3.42Å; T326-K329 PolarHBondContact O-N 3.32Å; I327-K329 VanDerWaalsContact C-N 3.26Å; I327-K329 PolarHBondContact O-N 3.08Å; K329-N332 PolarHBondContact O-N 3.3Å; K329-Q333 WeakPolarHBondContact O-CG 3.38Å; K329-Q333 PolarHBondContact O-N 3.42Å
330T77.4Confident72.8Confident80 Ų8086.7 Ų86.749%0.49149%0.489SS..Hα-helixtrans-63.5-43.2178.3-53.70000111.6T326 I327 Q333 A334T326-T330 PolarHBondContact O-N 2.86Å; T326-T330 VanDerWaalsContact O-N 3.08Å; T326-T330 PolarHBondContact O-OG1 3.27Å; T326-T330 VanDerWaalsContact O-OG1 3.12Å; I327-T330 PolarHBondContact O-N 2.91Å; I327-T330 VanDerWaalsContact O-N 3.12Å; T330-Q333 PolarHBondContact O-N 3.08Å; T330-A334 WeakPolarHBondContact O-CB 3.11Å; T330-A334 PolarHBondContact O-N 2.88Å
331D74.8Confident69.9Low83 Ų8397.5 Ų97.544%0.44455%0.546SS..Hα-helixtrans-65.8-41.1178.8-70.7-17.4000111.8I327 Q333 A334 G335I327-D331 PolarHBondContact O-N 2.91Å; D331-Q333 VanDerWaalsContact C-N 3.34Å; D331-Q333 PolarHBondContact O-N 2.92Å; D331-A334 PolarHBondContact O-N 2.84Å; D331-G335 PolarHBondContact O-N 3.05Å
332N69.1Low68.5Low113 Ų11395 Ų9560%0.60454%0.541SS*.Hα-helixtrans-65.1-36.5176.5-74.6-21.2000112.6Q328 K329 H336Q328-N332 WeakPolarHBondContact O-CB 3.46Å; Q328-N332 PolarHBondContact O-N 2.97Å; Q328-N332 VanDerWaalsContact O-N 3.09Å; Q328-N332 PolarHBondContact O-ND2 3.42Å; K329-N332 PolarHBondContact O-N 3.3Å; N332-H336 PolarHBondContact O-N 3.1Å; N332-H336 PolarHBondContact O-ND1 3.33Å
333Q63.9Low67.2Low144 Ų14493.6 Ų93.667%0.67354%0.54SS*.Hα-helixtrans-71.7-37.4176-73.8178.6-6.600112.3K329 T330 D331 H336 S337K329-Q333 WeakPolarHBondContact O-CG 3.38Å; K329-Q333 PolarHBondContact O-N 3.42Å; T330-Q333 PolarHBondContact O-N 3.08Å; D331-Q333 VanDerWaalsContact C-N 3.34Å; D331-Q333 PolarHBondContact O-N 2.92Å; Q333-H336 PolarHBondContact O-N 3.49Å; Q333-S337 PolarHBondContact O-N 3.2Å; Q333-S337 PolarHBondContact O-OG 3.3Å
334A64.9Low65.8Low59 Ų5998 Ų9849%0.48857%0.566SS.*Hα-helixtrans-68.6-32.3174.900000112.8T330 D331 S337 G338T330-A334 WeakPolarHBondContact O-CB 3.11Å; T330-A334 PolarHBondContact O-N 2.88Å; D331-A334 PolarHBondContact O-N 2.84Å; A334-S337 PolarHBondContact O-OG 3.47Å; A334-S337 VanDerWaalsContact O-OG 3.1Å; A334-G338 PolarHBondContact O-N 3.02Å
335G53.8Low64.2Low42 Ų4299.5 Ų99.543%0.43358%0.583SS.*Hα-helixtrans-68.7-31.2174.500000114D331 S339D331-G335 PolarHBondContact O-N 3.05Å; G335-S339 PolarHBondContact O-OG 3.43Å
336H51Low62.5Low156 Ų156101.4 Ų101.472%0.72259%0.594SS**Hα-helixtrans-78.4-27.8178.4-82.850000113.4N332 Q333N332-H336 PolarHBondContact O-N 3.1Å; N332-H336 PolarHBondContact O-ND1 3.33Å; Q333-H336 PolarHBondContact O-N 3.49Å
337S49.5Very low60.9Low89 Ų89104.1 Ų104.162%0.62261%0.609SS**Hα-helixtrans-80.3-18.4176.254.40000113.8Q333 A334Q333-S337 PolarHBondContact O-N 3.2Å; Q333-S337 PolarHBondContact O-OG 3.3Å; A334-S337 PolarHBondContact O-OG 3.47Å; A334-S337 VanDerWaalsContact O-OG 3.1Å
338G44.5Very low59.3Low65 Ų65110.1 Ų110.167%0.6764%0.644SS**THydrogen-bonded Turntrans-85.2-1.6175.400000115.5A334A334-G338 PolarHBondContact O-N 3.02Å
339S42.4Very low57.7Low99 Ų99109 Ų10969%0.69265%0.649SS**THydrogen-bonded Turntrans-101.42.6-178-52.60000113.7G335G335-S339 PolarHBondContact O-OG 3.43Å
340C42.4Very low55.8Low112 Ų112107.1 Ų107.176%0.75766%0.656SS**  trans-117.865.3175.1-81.30000110.3
341L35.8Very low53.8Low243 Ų243109.5 Ų109.5100%1.27267%0.671SS**  trans-142.40158.4-81.4178.9000110

Retrieved 341 of 341 residues in 74.4 ms (Link to these results)

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