A0A077ZMS1_TRITR Loading...

Integrase zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZMS1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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
1M74.5Confident84Confident110 Ų11088.4 Ų88.454%0.54241%0.406SS..  0-56.90-68.8-49.8-78.500113.6Y3 I4 D5 Q32M1-Y3 PolarHBondContact O-N 3.22Å; M1-I4 WeakPolarHBondContact O-CB 3.35Å; M1-I4 PolarHBondContact O-N 2.83Å; M1-I4 HydrophobicContact SD-CD1 4.35Å; M1-D5 PolarHBondContact O-N 3.49Å; M1-Q32 HydrophobicContact CB-CB 4.42Å
2M82.1Confident84.6Confident27 Ų2795.5 Ų95.513%0.13343%0.427CS..Hα-helixtrans-50.2-52.5-178.5-178.8-169.773.600114.8I4 D5 M6 P21 R26M2-I4 VanDerWaalsContact C-N 3.29Å; M2-I4 PolarHBondContact O-N 3.2Å; M2-D5 PolarHBondContact O-N 3Å; M2-M6 HydrophobicContact CG-SD 4.46Å; M2-M6 WeakPolarHBondContact O-CG 3.44Å; M2-M6 PolarHBondContact O-N 3.02Å; M2-P21 HydrophobicContact CE-CB 3.42Å; M2-P21 VanDerWaalsContact CE-CB 3.42Å; M2-P21 HydrophobicContact CE-CG 3.44Å; M2-P21 VanDerWaalsContact CE-CG 3.44Å; M2-P21 HydrophobicContact CG-CB 4.18Å; M2-P21 HydrophobicContact SD-CB 3.26Å; M2-P21 WeakPolarHBondContact SD-CB 3.3Å; M2-P21 HydrophobicContact SD-CG 3.97Å; M2-R26 HydrophobicContact SD-CB 4.24Å; M2-R26 HydrophobicContact SD-CG 3.54Å; M2-R26 VanDerWaalsContact SD-CG 3.54Å
3Y84.1Confident84.7Confident163 Ų163102.8 Ų102.864%0.63946%0.458SS*.Hα-helixtrans-65.5-31.1178.9-72.6-76000113.5M1 F7 P21M1-Y3 PolarHBondContact O-N 3.22Å; Y3-F7 VanDerWaalsContact O-CB 3.26Å; Y3-F7 WeakPolarHBondContact O-CB 3.37Å; Y3-F7 PolarHBondContact O-N 3.04Å; Y3-P21 HydrophobicContact CE1-CG 4.35Å
4I83.8Confident84.6Confident95 Ų95101.4 Ų101.449%0.48745%0.452SS..Hα-helixtrans-68.8-44.3177-61171.4000109.4M1 M2 F7 I8M1-I4 WeakPolarHBondContact O-CB 3.35Å; M1-I4 PolarHBondContact O-N 2.83Å; M1-I4 HydrophobicContact SD-CD1 4.35Å; M2-I4 VanDerWaalsContact C-N 3.29Å; M2-I4 PolarHBondContact O-N 3.2Å; I4-F7 WeakPolarHBondContact O-CB 3.41Å; I4-F7 PolarHBondContact O-N 3.48Å; I4-I8 HydrophobicContact CG2-CD1 3.89Å; I4-I8 HydrophobicContact CG2-CG1 4.47Å; I4-I8 VanDerWaalsContact O-CG1 3.28Å; I4-I8 WeakPolarHBondContact O-CG1 3.27Å; I4-I8 PolarHBondContact O-N 3.21Å
5D83Confident84.3Confident25 Ų25101.5 Ų101.513%0.13448%0.479CS..Hα-helixtrans-63.6-46.1175.6177.758.8000111.8M1 M2 F7 I8 R9 W28M1-D5 PolarHBondContact O-N 3.49Å; M2-D5 PolarHBondContact O-N 3Å; D5-F7 VanDerWaalsContact C-N 3.26Å; D5-F7 PolarHBondContact O-N 3.1Å; D5-I8 PolarHBondContact O-N 2.96Å; D5-R9 WeakPolarHBondContact O-CG 3.21Å; D5-R9 PolarHBondContact O-N 3.35Å; D5-R9 IonicContact OD1-CZ 3.43Å; D5-R9 IonicContact OD1-NE 3.2Å; D5-R9 PolarHBondContact OD1-NE 3.06Å; D5-R9 VanDerWaalsContact OD1-NE 3.16Å; D5-R9 IonicContact OD1-NH2 2.58Å; D5-R9 IonicContact OD2-CZ 3.2Å; D5-R9 IonicContact OD2-NE 3.85Å; D5-R9 PolarHBondContact OD2-NE 3.33Å; D5-R9 IonicContact OD2-NH2 3.74Å; D5-R9 PolarHBondContact OD2-NH2 2.99Å; D5-W28 HydrophobicContact CB-CE3 4.24Å; D5-W28 HydrophobicContact CB-CH2 3.6Å; D5-W28 HydrophobicContact CB-CZ3 3.3Å; D5-W28 VanDerWaalsContact CG-CH2 3.44Å; D5-W28 VanDerWaalsContact CG-CZ3 3.41Å; D5-W28 WeakPolarHBondContact OD2-CZ3 3.47Å
6M82.6Confident83.9Confident25 Ų25100.2 Ų100.212%0.12350%0.501CS..Hα-helixtrans-57.7-40.4173.4-72.2-178.671.900112.1M2 R10 E18 P21M2-M6 HydrophobicContact CG-SD 4.46Å; M2-M6 WeakPolarHBondContact O-CG 3.44Å; M2-M6 PolarHBondContact O-N 3.02Å; M6-R10 VanDerWaalsContact O-CB 3.25Å; M6-R10 WeakPolarHBondContact O-CB 3.32Å; M6-R10 PolarHBondContact O-N 3.35Å; M6-E18 WeakPolarHBondContact CE-O 3.37Å; M6-P21 HydrophobicContact SD-CB 3.82Å
7F86.2Confident83.2Confident135 Ų13597.4 Ų97.459%0.59249%0.488SS*.Hα-helixtrans-64-47.1175.6179.2-99000111.7Y3 I4 D5 R10 C11Y3-F7 VanDerWaalsContact O-CB 3.26Å; Y3-F7 WeakPolarHBondContact O-CB 3.37Å; Y3-F7 PolarHBondContact O-N 3.04Å; I4-F7 WeakPolarHBondContact O-CB 3.41Å; I4-F7 PolarHBondContact O-N 3.48Å; D5-F7 VanDerWaalsContact C-N 3.26Å; D5-F7 PolarHBondContact O-N 3.1Å; F7-R10 PolarHBondContact O-N 3.31Å; F7-C11 VanDerWaalsContact CE1-SG 3.56Å; F7-C11 VanDerWaalsContact CZ-SG 3.56Å; F7-C11 PolarHBondContact O-N 2.84Å; F7-C11 PolarHBondContact O-SG 2.99Å; F7-C11 VanDerWaalsContact O-SG 3.33Å
8I86.3Confident82.7Confident67 Ų6798.3 Ų98.334%0.34449%0.49SS..Hα-helixtrans-59.9-48.8177.9-70165.7000111I4 D5 R10 C11 R12I4-I8 HydrophobicContact CG2-CD1 3.89Å; I4-I8 HydrophobicContact CG2-CG1 4.47Å; I4-I8 VanDerWaalsContact O-CG1 3.28Å; I4-I8 WeakPolarHBondContact O-CG1 3.27Å; I4-I8 PolarHBondContact O-N 3.21Å; D5-I8 PolarHBondContact O-N 2.96Å; I8-R10 PolarHBondContact O-N 3.38Å; I8-C11 WeakPolarHBondContact O-CB 3.11Å; I8-C11 PolarHBondContact O-N 2.98Å; I8-R12 WeakPolarHBondContact O-CG 3.46Å; I8-R12 PolarHBondContact O-N 3.4Å
9R85.9Confident82.5Confident88 Ų88100.9 Ų100.933%0.33250%0.498SS..Hα-helixtrans-60.1-38.1177.5-65.9-175.3-163.4-162.17111.4D5 R12 K13 E14 I17D5-R9 WeakPolarHBondContact O-CG 3.21Å; D5-R9 PolarHBondContact O-N 3.35Å; D5-R9 IonicContact OD1-CZ 3.43Å; D5-R9 IonicContact OD1-NE 3.2Å; D5-R9 PolarHBondContact OD1-NE 3.06Å; D5-R9 VanDerWaalsContact OD1-NE 3.16Å; D5-R9 IonicContact OD1-NH2 2.58Å; D5-R9 IonicContact OD2-CZ 3.2Å; D5-R9 IonicContact OD2-NE 3.85Å; D5-R9 PolarHBondContact OD2-NE 3.33Å; D5-R9 IonicContact OD2-NH2 3.74Å; D5-R9 PolarHBondContact OD2-NH2 2.99Å; R9-R12 CarbonylContact O-C 3.58Å; R9-R12 WeakPolarHBondContact O-CB 3.46Å; R9-R12 PolarHBondContact O-N 3.28Å; R9-K13 PolarHBondContact O-N 3.09Å; R9-E14 WeakPolarHBondContact CB-OE2 3.28Å; R9-E14 WeakPolarHBondContact CD-OE2 3.31Å; R9-E14 VanDerWaalsContact CG-OE2 3.26Å; R9-E14 WeakPolarHBondContact CG-OE2 3.47Å; R9-E14 PolarHBondContact O-N 3.17Å; R9-I17 HydrophobicContact CB-CD1 3.64Å; R9-I17 HydrophobicContact CB-CG1 4.29Å; R9-I17 VanDerWaalsContact O-CD1 3.28Å; R9-I17 WeakPolarHBondContact O-CD1 3.37Å
10R86.2Confident82.5Confident156 Ų156104.4 Ų104.459%0.58951%0.507SS*.Hα-helixtrans-68.8-40.3177.1-168.6168.8-175147.90.6112.1M6 F7 I8 R12 K13 I17M6-R10 VanDerWaalsContact O-CB 3.25Å; M6-R10 WeakPolarHBondContact O-CB 3.32Å; M6-R10 PolarHBondContact O-N 3.35Å; F7-R10 PolarHBondContact O-N 3.31Å; I8-R10 PolarHBondContact O-N 3.38Å; R10-R12 PolarHBondContact O-N 3.38Å; R10-K13 PolarHBondContact O-N 3.26Å; R10-K13 VanDerWaalsContact O-N 3.09Å; R10-I17 HydrophobicContact CB-CD1 4.14Å; R10-I17 VanDerWaalsContact N-CD1 3.34Å
11C89.4Confident82.4Confident81 Ų81100 Ų10055%0.54749%0.486SS..Hα-helixtrans-62-33.1171-70.60000112.1F7 I8 K13F7-C11 VanDerWaalsContact CE1-SG 3.56Å; F7-C11 VanDerWaalsContact CZ-SG 3.56Å; F7-C11 PolarHBondContact O-N 2.84Å; F7-C11 PolarHBondContact O-SG 2.99Å; F7-C11 VanDerWaalsContact O-SG 3.33Å; I8-C11 WeakPolarHBondContact O-CB 3.11Å; I8-C11 PolarHBondContact O-N 2.98Å; C11-K13 PolarHBondContact O-N 3.22Å
12R90.8Very high83Confident174 Ų17497.1 Ų97.166%0.65748%0.475SS*.THydrogen-bonded Turntrans-77.5-2.5174.5-70.4176.6179-179.5-0.9114.3I8 R9 R10 E14I8-R12 WeakPolarHBondContact O-CG 3.46Å; I8-R12 PolarHBondContact O-N 3.4Å; R9-R12 CarbonylContact O-C 3.58Å; R9-R12 WeakPolarHBondContact O-CB 3.46Å; R9-R12 PolarHBondContact O-N 3.28Å; R10-R12 PolarHBondContact O-N 3.38Å; R12-E14 HydrophobicContact CB-CG 4.08Å; R12-E14 PolarHBondContact O-N 2.85Å
13K86.3Confident83.2Confident191 Ų19199.4 Ų99.483%0.8350%0.498SS*.THydrogen-bonded Turntrans53.834.4-177.1-56.9-178.8-179.5177.80113R9 R10 C11 A15R9-K13 PolarHBondContact O-N 3.09Å; R10-K13 PolarHBondContact O-N 3.26Å; R10-K13 VanDerWaalsContact O-N 3.09Å; C11-K13 PolarHBondContact O-N 3.22Å; K13-A15 PolarHBondContact O-N 3.09Å
14E83.2Confident83.3Confident82 Ų8295.4 Ų95.438%0.38349%0.494SS..  trans-64.1135.3173.5-63.9170.6-164.400109.3R9 R12 I17R9-E14 WeakPolarHBondContact CB-OE2 3.28Å; R9-E14 WeakPolarHBondContact CD-OE2 3.31Å; R9-E14 VanDerWaalsContact CG-OE2 3.26Å; R9-E14 WeakPolarHBondContact CG-OE2 3.47Å; R9-E14 PolarHBondContact O-N 3.17Å; R12-E14 HydrophobicContact CB-CG 4.08Å; R12-E14 PolarHBondContact O-N 2.85Å; E14-I17 HydrophobicContact CB-CD1 4.08Å; E14-I17 HydrophobicContact CB-CG1 4.42Å; E14-I17 VanDerWaalsContact O-CD1 3.27Å; E14-I17 WeakPolarHBondContact O-CD1 3.4Å; E14-I17 WeakPolarHBondContact O-CG1 3.34Å
15A80.5Confident83.4Confident104 Ų10492 Ų9286%0.8648%0.479SS*.THydrogen-bonded Turntrans-72.2147.7-179.400000111.3K13K13-A15 PolarHBondContact O-N 3.09Å
16G76.9Confident83.6Confident80 Ų8097.3 Ų97.383%0.82550%0.497SS*.THydrogen-bonded Turntrans83.216.3173.100000116.1E18G16-E18 PolarHBondContact O-N 3.04Å
17I72.9Confident83.9Confident53 Ų5398.5 Ų98.527%0.27251%0.508SS..  trans-75.6112.5176.6-55.8166.4000109.9R9 R10 E14R9-I17 HydrophobicContact CB-CD1 3.64Å; R9-I17 HydrophobicContact CB-CG1 4.29Å; R9-I17 VanDerWaalsContact O-CD1 3.28Å; R9-I17 WeakPolarHBondContact O-CD1 3.37Å; R10-I17 HydrophobicContact CB-CD1 4.14Å; R10-I17 VanDerWaalsContact N-CD1 3.34Å; E14-I17 HydrophobicContact CB-CD1 4.08Å; E14-I17 HydrophobicContact CB-CG1 4.42Å; E14-I17 VanDerWaalsContact O-CD1 3.27Å; E14-I17 WeakPolarHBondContact O-CD1 3.4Å; E14-I17 WeakPolarHBondContact O-CG1 3.34Å
18E74.1Confident84.1Confident114 Ų11495.8 Ų95.853%0.53349%0.494SS..  trans-64.3147.9174.2-69.4-175.4162.600112.1M6 G16 Y20 T22M6-E18 WeakPolarHBondContact CE-O 3.37Å; G16-E18 PolarHBondContact O-N 3.04Å; E18-Y20 VanDerWaalsContact C-N 3.32Å; E18-Y20 WeakPolarHBondContact CB-O 3.31Å; E18-T22 PolarHBondContact OE2-OG1 3.16Å
19F79Confident84.3Confident147 Ų14792.8 Ų92.865%0.64548%0.479SS*.SBendtrans-66.6-36.5177.3-175.8-91.3000112.1
20Y82Confident84.6Confident170 Ų17090.8 Ų90.867%0.66748%0.478SS*.SBendtrans-104147.9178.6-60.8-75.5000110.3E18 T22E18-Y20 VanDerWaalsContact C-N 3.32Å; E18-Y20 WeakPolarHBondContact CB-O 3.31Å; Y20-T22 PolarHBondContact O-N 2.84Å
21P81.1Confident84.9Confident12 Ų1284.9 Ų84.98%0.07846%0.457CS..  trans-65.5127176.819.9-25.4000111.1M2 Y3 M6 R26M2-P21 HydrophobicContact CE-CB 3.42Å; M2-P21 VanDerWaalsContact CE-CB 3.42Å; M2-P21 HydrophobicContact CE-CG 3.44Å; M2-P21 VanDerWaalsContact CE-CG 3.44Å; M2-P21 HydrophobicContact CG-CB 4.18Å; M2-P21 HydrophobicContact SD-CB 3.26Å; M2-P21 WeakPolarHBondContact SD-CB 3.3Å; M2-P21 HydrophobicContact SD-CG 3.97Å; Y3-P21 HydrophobicContact CE1-CG 4.35Å; M6-P21 HydrophobicContact SD-CB 3.82Å; P21-R26 HydrophobicContact CB-CG 4.49Å; P21-R26 PolarHBondContact O-NH1 2.97Å; P21-R26 PolarHBondContact O-NH2 2.79Å
22T87.2Confident85.1Confident50 Ų5082.4 Ų82.431%0.30744%0.437SS..  trans-74.8165173-29.10000111.2E18 Y20 S24 S25 R26E18-T22 PolarHBondContact OE2-OG1 3.16Å; Y20-T22 PolarHBondContact O-N 2.84Å; T22-S24 VanDerWaalsContact C-N 3.29Å; T22-S24 PolarHBondContact O-N 3.03Å; T22-S25 PolarHBondContact O-N 3.14Å; T22-R26 PolarHBondContact O-N 3.15Å
23A86.4Confident85.3Confident75 Ų7576 Ų7662%0.6242%0.419SS*.Hα-helixtrans-58.4-39.5174.600000112.7R26 S27A23-R26 PolarHBondContact O-N 2.64Å; A23-S27 WeakPolarHBondContact O-CB 3.33Å; A23-S27 PolarHBondContact O-N 3.32Å
24S85.9Confident85.7Confident79 Ų7967 Ų6755%0.55238%0.38SS*.Hα-helixtrans-60.7-45.6174.450.10000111.9T22 R26 S27 W28T22-S24 VanDerWaalsContact C-N 3.29Å; T22-S24 PolarHBondContact O-N 3.03Å; S24-R26 PolarHBondContact O-N 2.82Å; S24-S27 PolarHBondContact O-N 3.28Å; S24-W28 WeakPolarHBondContact O-CB 3.27Å; S24-W28 PolarHBondContact O-N 2.94Å
25S85.9Confident86.3Confident24 Ų2467.4 Ų67.417%0.16838%0.378CS..Hα-helixtrans-63.7-38.1177.2-53.80000112.7T22 G29T22-S25 PolarHBondContact O-N 3.14Å; S25-G29 PolarHBondContact O-N 2.86Å
26R87Confident87Confident136 Ų13665 Ų6551%0.51336%0.358SS..Hα-helixtrans-64.6-46.7173.3-72.6-174.8-173.884.23.6111.5M2 P21 T22 A23 S24 G29 S30M2-R26 HydrophobicContact SD-CB 4.24Å; M2-R26 HydrophobicContact SD-CG 3.54Å; M2-R26 VanDerWaalsContact SD-CG 3.54Å; P21-R26 HydrophobicContact CB-CG 4.49Å; P21-R26 PolarHBondContact O-NH1 2.97Å; P21-R26 PolarHBondContact O-NH2 2.79Å; T22-R26 PolarHBondContact O-N 3.15Å; A23-R26 PolarHBondContact O-N 2.64Å; S24-R26 PolarHBondContact O-N 2.82Å; R26-G29 PolarHBondContact O-N 3.46Å; R26-S30 VanDerWaalsContact O-CB 3.26Å; R26-S30 WeakPolarHBondContact O-CB 3.36Å; R26-S30 PolarHBondContact O-N 3.2Å
27S88.7Confident87.9Confident50 Ų5061.6 Ų61.635%0.3532%0.321SS..Hα-helixtrans-59.8-48.4177.5-178.20000110.8A23 S24 G29 S30 K31A23-S27 WeakPolarHBondContact O-CB 3.33Å; A23-S27 PolarHBondContact O-N 3.32Å; S24-S27 PolarHBondContact O-N 3.28Å; S27-G29 PolarHBondContact O-N 2.87Å; S27-S30 WeakPolarHBondContact O-CB 3.47Å; S27-S30 PolarHBondContact O-N 3.31Å; S27-K31 WeakPolarHBondContact O-CG 3.35Å; S27-K31 PolarHBondContact O-N 3.27Å
28W89.6Confident89Confident79 Ų7959.1 Ų59.130%0.29931%0.308SS..Hα-helixtrans-57.9-51.3176-178.189.2000111.8D5 S24 S30 K31 Q32D5-W28 HydrophobicContact CB-CE3 4.24Å; D5-W28 HydrophobicContact CB-CH2 3.6Å; D5-W28 HydrophobicContact CB-CZ3 3.3Å; D5-W28 VanDerWaalsContact CG-CH2 3.44Å; D5-W28 VanDerWaalsContact CG-CZ3 3.41Å; D5-W28 WeakPolarHBondContact OD2-CZ3 3.47Å; S24-W28 WeakPolarHBondContact O-CB 3.27Å; S24-W28 PolarHBondContact O-N 2.94Å; W28-S30 VanDerWaalsContact C-N 3.3Å; W28-S30 PolarHBondContact O-N 3.04Å; W28-K31 PolarHBondContact O-N 3.13Å; W28-K31 VanDerWaalsContact O-N 3.17Å; W28-Q32 HydrophobicContact CD2-CG 3.82Å; W28-Q32 HydrophobicContact CE3-CG 3.89Å; W28-Q32 HydrophobicContact CH2-CG 3.66Å; W28-Q32 HydrophobicContact CZ2-CG 3.58Å; W28-Q32 HydrophobicContact CZ3-CG 3.8Å; W28-Q32 WeakPolarHBondContact O-CG 3.39Å; W28-Q32 PolarHBondContact O-N 3.08Å
29G91.1Very high89.9Confident3 Ų358.2 Ų58.23%0.03130%0.304CS..Hα-helixtrans-62.4-37.3-178.900000113.1S25 R26 S27 Q32 C33S25-G29 PolarHBondContact O-N 2.86Å; R26-G29 PolarHBondContact O-N 3.46Å; S27-G29 PolarHBondContact O-N 2.87Å; G29-Q32 PolarHBondContact O-N 2.65Å; G29-C33 PolarHBondContact O-N 2.96Å; G29-C33 VanDerWaalsContact O-N 3.13Å; G29-C33 PolarHBondContact O-SG 3.4Å; G29-C33 VanDerWaalsContact O-SG 3.32Å
30S92.2Very high90.7Very high46 Ų4655 Ų5532%0.32230%0.301SS..Hα-helixtrans-61.1-49.7173.6-175.80000111.1R26 S27 W28 Q32 C33 V34 F105R26-S30 VanDerWaalsContact O-CB 3.26Å; R26-S30 WeakPolarHBondContact O-CB 3.36Å; R26-S30 PolarHBondContact O-N 3.2Å; S27-S30 WeakPolarHBondContact O-CB 3.47Å; S27-S30 PolarHBondContact O-N 3.31Å; W28-S30 VanDerWaalsContact C-N 3.3Å; W28-S30 PolarHBondContact O-N 3.04Å; S30-Q32 VanDerWaalsContact C-N 3.35Å; S30-Q32 PolarHBondContact O-N 3.24Å; S30-C33 WeakPolarHBondContact O-CB 3.41Å; S30-C33 PolarHBondContact O-N 3.27Å; S30-V34 WeakPolarHBondContact O-CG2 3.46Å; S30-V34 PolarHBondContact O-N 3.09Å; S30-F105 WeakPolarHBondContact OG-CZ 3.21Å
31K93.1Very high91.3Very high32 Ų3249.6 Ų49.614%0.13929%0.286CS..Hα-helixtrans-60.8-39.9176.8-70.6-178.9-172.9-174.30112.7S27 W28 C33 V34 R35 E71 L73 D88S27-K31 WeakPolarHBondContact O-CG 3.35Å; S27-K31 PolarHBondContact O-N 3.27Å; W28-K31 PolarHBondContact O-N 3.13Å; W28-K31 VanDerWaalsContact O-N 3.17Å; K31-C33 PolarHBondContact O-N 3.14Å; K31-V34 PolarHBondContact O-N 3.44Å; K31-R35 PolarHBondContact O-N 3.15Å; K31-E71 WeakPolarHBondContact CD-OE2 3.43Å; K31-E71 VanDerWaalsContact NZ-CD 3.33Å; K31-E71 IonicContact NZ-OE1 3.88Å; K31-E71 PolarHBondContact NZ-OE1 3.46Å; K31-E71 IonicContact NZ-OE2 2.75Å; K31-E71 PolarHBondContact NZ-OE2 3.32Å; K31-E71 VanDerWaalsContact NZ-OE2 3.15Å; K31-L73 HydrophobicContact CB-CD1 4.08Å; K31-L73 HydrophobicContact CD-CD1 4.33Å; K31-L73 HydrophobicContact CG-CD1 4.04Å; K31-D88 IonicContact NZ-OD2 3.15Å
32Q93.8Very high91.9Very high29 Ų2949.7 Ų49.714%0.13629%0.286CS..Hα-helixtrans-63-40.6175.3-64.9-49.5-59.100112.5M1 W28 G29 S30 V34 R35 A36M1-Q32 HydrophobicContact CB-CB 4.42Å; W28-Q32 HydrophobicContact CD2-CG 3.82Å; W28-Q32 HydrophobicContact CE3-CG 3.89Å; W28-Q32 HydrophobicContact CH2-CG 3.66Å; W28-Q32 HydrophobicContact CZ2-CG 3.58Å; W28-Q32 HydrophobicContact CZ3-CG 3.8Å; W28-Q32 WeakPolarHBondContact O-CG 3.39Å; W28-Q32 PolarHBondContact O-N 3.08Å; G29-Q32 PolarHBondContact O-N 2.65Å; S30-Q32 VanDerWaalsContact C-N 3.35Å; S30-Q32 PolarHBondContact O-N 3.24Å; Q32-V34 VanDerWaalsContact C-N 3.34Å; Q32-R35 PolarHBondContact O-N 2.58Å; Q32-A36 PolarHBondContact O-N 2.82Å; Q32-A36 VanDerWaalsContact O-N 3.13Å
33C94.5Very high92.2Very high39 Ų3950.1 Ų50.126%0.26429%0.291SS..Hα-helixtrans-63.2-42.6174.5-68.80000111.3G29 S30 K31 A36 V37 L101G29-C33 PolarHBondContact O-N 2.96Å; G29-C33 VanDerWaalsContact O-N 3.13Å; G29-C33 PolarHBondContact O-SG 3.4Å; G29-C33 VanDerWaalsContact O-SG 3.32Å; S30-C33 WeakPolarHBondContact O-CB 3.41Å; S30-C33 PolarHBondContact O-N 3.27Å; K31-C33 PolarHBondContact O-N 3.14Å; C33-A36 PolarHBondContact O-N 3.38Å; C33-V37 WeakPolarHBondContact O-CG2 3.23Å; C33-V37 PolarHBondContact O-N 2.86Å; C33-L101 HydrophobicContact CB-CD1 4.02Å; C33-L101 HydrophobicContact CB-CD2 3.94Å; C33-L101 WeakPolarHBondContact O-CD2 3.22Å
34V95.6Very high92.6Very high2 Ų251.8 Ų51.81%0.01229%0.286CS..Hα-helixtrans-61.4-46176.3173.20000110.6S30 K31 Q32 A36 V37 Q38 L73 P93 L95 L101 F105S30-V34 WeakPolarHBondContact O-CG2 3.46Å; S30-V34 PolarHBondContact O-N 3.09Å; K31-V34 PolarHBondContact O-N 3.44Å; Q32-V34 VanDerWaalsContact C-N 3.34Å; V34-A36 PolarHBondContact O-N 2.82Å; V34-V37 PolarHBondContact O-N 2.68Å; V34-V37 VanDerWaalsContact O-N 3.08Å; V34-Q38 HydrophobicContact CG1-CG 4.2Å; V34-Q38 WeakPolarHBondContact O-CG 3.5Å; V34-Q38 PolarHBondContact O-N 2.91Å; V34-L73 HydrophobicContact CB-CD2 4.39Å; V34-L73 HydrophobicContact CG1-CD2 4.02Å; V34-P93 HydrophobicContact CG1-CB 3.87Å; V34-P93 HydrophobicContact CG1-CG 4.46Å; V34-L95 HydrophobicContact CB-CD2 4.47Å; V34-L95 HydrophobicContact CG1-CD2 4.07Å; V34-L95 HydrophobicContact CG2-CD1 4.41Å; V34-L95 HydrophobicContact CG2-CD2 4.27Å; V34-L101 HydrophobicContact CG2-CD2 4.17Å; V34-F105 HydrophobicContact CG2-CE2 4.09Å; V34-F105 HydrophobicContact CG2-CZ 4.14Å
35R94.9Very high92.9Very high91 Ų9149.6 Ų49.634%0.34327%0.267SS..Hα-helixtrans-55.7-49.2178.8-167.1178.970.1-166.5-1.2111.8K31 Q32 V37 Q38 E39 L73K31-R35 PolarHBondContact O-N 3.15Å; Q32-R35 PolarHBondContact O-N 2.58Å; R35-V37 VanDerWaalsContact C-N 3.26Å; R35-V37 PolarHBondContact O-N 3.2Å; R35-Q38 PolarHBondContact O-N 3.08Å; R35-Q38 VanDerWaalsContact O-N 3.09Å; R35-E39 HydrophobicContact CG-CG 4.41Å; R35-E39 WeakPolarHBondContact CG-OE1 3.36Å; R35-E39 IonicContact NE-OE1 3.03Å; R35-E39 WeakPolarHBondContact O-CG 3.13Å; R35-E39 PolarHBondContact O-N 3.41Å; R35-L73 HydrophobicContact CB-CD2 3.69Å; R35-L73 HydrophobicContact CG-CD2 4.2Å
36A94.9Very high93.3Very high54 Ų5449.2 Ų49.245%0.44626%0.262SS..Hα-helixtrans-60.1-34.917800000113Q32 C33 V34 S40Q32-A36 PolarHBondContact O-N 2.82Å; Q32-A36 VanDerWaalsContact O-N 3.13Å; C33-A36 PolarHBondContact O-N 3.38Å; V34-A36 PolarHBondContact O-N 2.82Å; A36-S40 PolarHBondContact O-N 3.47Å; A36-S40 PolarHBondContact O-OG 3.48Å
37V96.2Very high93.6Very high9 Ų948.7 Ų48.76%0.05527%0.266CS..Hα-helixtrans-72.5-38.1175.5175.30000111.5C33 V34 R35 S40 C41 L95 P96 H99 L101C33-V37 WeakPolarHBondContact O-CG2 3.23Å; C33-V37 PolarHBondContact O-N 2.86Å; V34-V37 PolarHBondContact O-N 2.68Å; V34-V37 VanDerWaalsContact O-N 3.08Å; R35-V37 VanDerWaalsContact C-N 3.26Å; R35-V37 PolarHBondContact O-N 3.2Å; V37-S40 WeakPolarHBondContact CA-OG 3.33Å; V37-S40 PolarHBondContact O-N 2.93Å; V37-S40 PolarHBondContact O-OG 3.24Å; V37-C41 WeakPolarHBondContact O-CB 3.46Å; V37-C41 PolarHBondContact O-N 3.22Å; V37-C41 PolarHBondContact O-SG 3.47Å; V37-L95 HydrophobicContact CB-CD2 4.21Å; V37-L95 HydrophobicContact CG1-CD2 3.94Å; V37-P96 HydrophobicContact CG1-CG 3.8Å; V37-H99 HydrophobicContact CG1-CB 4.35Å; V37-H99 WeakPolarHBondContact CG2-CE1 3.5Å; V37-L101 HydrophobicContact CB-CD2 4.24Å; V37-L101 HydrophobicContact CG2-CB 4.02Å; V37-L101 HydrophobicContact CG2-CD2 3.56Å; V37-L101 HydrophobicContact CG2-CG 4.44Å
38Q95.8Very high93.9Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-68.7-44177.7-69.2-176-19.600111.6V34 R35 S40 C41 F42 I74 I94V34-Q38 HydrophobicContact CG1-CG 4.2Å; V34-Q38 WeakPolarHBondContact O-CG 3.5Å; V34-Q38 PolarHBondContact O-N 2.91Å; R35-Q38 PolarHBondContact O-N 3.08Å; R35-Q38 VanDerWaalsContact O-N 3.09Å; Q38-S40 PolarHBondContact O-N 3.4Å; Q38-C41 PolarHBondContact O-N 2.89Å; Q38-F42 HydrophobicContact CB-CD2 4.38Å; Q38-F42 HydrophobicContact CG-CD2 4.16Å; Q38-F42 CarbonylContact O-C 3.49Å; Q38-F42 WeakPolarHBondContact O-CA 3.34Å; Q38-F42 PolarHBondContact O-N 3.13Å; Q38-I74 PolarHBondContact NE2-O 3.22Å; Q38-I94 PolarHBondContact NE2-O 3.34Å
39E94Very high94.1Very high95 Ų9547 Ų4744%0.44425%0.254SS..Hα-helixtrans-59.5-34.3175.8-73.7168.7-175.800112.2R35 S43R35-E39 HydrophobicContact CG-CG 4.41Å; R35-E39 WeakPolarHBondContact CG-OE1 3.36Å; R35-E39 IonicContact NE-OE1 3.03Å; R35-E39 WeakPolarHBondContact O-CG 3.13Å; R35-E39 PolarHBondContact O-N 3.41Å; E39-S43 WeakPolarHBondContact O-CB 3.12Å
40S94.5Very high94.2Very high81 Ų8152.3 Ų52.357%0.56628%0.277SS*.Hα-helixtrans-84.6-32.2178.851.90000114.1A36 V37 Q38A36-S40 PolarHBondContact O-N 3.47Å; A36-S40 PolarHBondContact O-OG 3.48Å; V37-S40 WeakPolarHBondContact CA-OG 3.33Å; V37-S40 PolarHBondContact O-N 2.93Å; V37-S40 PolarHBondContact O-OG 3.24Å; Q38-S40 PolarHBondContact O-N 3.4Å
41C94.7Very high94.2Very high55 Ų5553.6 Ų53.637%0.37229%0.287SS..Hα-helixtrans-103.4-23.4-172.3-61.80000114.5V37 Q38 P96V37-C41 WeakPolarHBondContact O-CB 3.46Å; V37-C41 PolarHBondContact O-N 3.22Å; V37-C41 PolarHBondContact O-SG 3.47Å; Q38-C41 PolarHBondContact O-N 2.89Å; C41-P96 HydrophobicContact CB-CG 4.15Å
42F94.3Very high94Very high15 Ų1555.1 Ų55.17%0.06631%0.311CS..SBendtrans-133.633.2-173.3-53.1-51000111.2Q38 E44 E45 Q46 L61 I74 I94 P96 I132Q38-F42 HydrophobicContact CB-CD2 4.38Å; Q38-F42 HydrophobicContact CG-CD2 4.16Å; Q38-F42 CarbonylContact O-C 3.49Å; Q38-F42 WeakPolarHBondContact O-CA 3.34Å; Q38-F42 PolarHBondContact O-N 3.13Å; F42-E44 VanDerWaalsContact C-N 3.31Å; F42-E44 PolarHBondContact O-N 3.13Å; F42-E45 VanDerWaalsContact CA-OE2 3.31Å; F42-E45 WeakPolarHBondContact CA-OE2 3.4Å; F42-E45 HydrophobicContact CB-CB 4.4Å; F42-E45 PolarHBondContact O-N 3.16Å; F42-Q46 WeakPolarHBondContact O-CB 3.25Å; F42-Q46 PolarHBondContact O-N 3.12Å; F42-L61 HydrophobicContact CB-CD1 4.44Å; F42-L61 HydrophobicContact CD1-CD1 4.1Å; F42-L61 HydrophobicContact CD2-CD1 4.45Å; F42-L61 HydrophobicContact CE1-CD2 4.42Å; F42-L61 HydrophobicContact CG-CD1 4.1Å; F42-L61 HydrophobicContact CZ-CD2 4.44Å; F42-I74 HydrophobicContact CB-CD1 3.79Å; F42-I94 HydrophobicContact CE2-CG2 4.31Å; F42-P96 HydrophobicContact CE2-CG 4.43Å; F42-P96 HydrophobicContact CZ-CB 3.83Å; F42-P96 HydrophobicContact CZ-CG 4.2Å; F42-I132 HydrophobicContact CE1-CD1 3.9Å; F42-I132 HydrophobicContact CZ-CD1 3.54Å
43S93.4Very high93.7Very high58 Ų5858.9 Ų58.941%0.40633%0.332SS..Hα-helixtrans-55.9-45.4-177.651.40000112.2E39 Q46 H47E39-S43 WeakPolarHBondContact O-CB 3.12Å; S43-Q46 PolarHBondContact O-N 3.2Å; S43-H47 PolarHBondContact O-CD2 3.09Å; S43-H47 PolarHBondContact O-N 2.92Å
44E93.6Very high93.5Very high110 Ų11058.3 Ų58.351%0.51433%0.333SS..Hα-helixtrans-61.9-50.2178-171.1-176.5164.900111.1F42 Q46 H47 R48 L56F42-E44 VanDerWaalsContact C-N 3.31Å; F42-E44 PolarHBondContact O-N 3.13Å; E44-Q46 VanDerWaalsContact C-N 3.28Å; E44-Q46 PolarHBondContact O-N 3.34Å; E44-H47 PolarHBondContact O-N 3.41Å; E44-R48 WeakPolarHBondContact O-CG 3.39Å; E44-R48 PolarHBondContact O-N 3.2Å; E44-L56 WeakPolarHBondContact OE1-CD1 3.42Å
45E94.1Very high93.3Very high33 Ų3359 Ų5915%0.15434%0.337CS..Hα-helixtrans-62.4-35.6177.3-65.695.6155.700112.6F42 L49 V55 S59 L61F42-E45 VanDerWaalsContact CA-OE2 3.31Å; F42-E45 WeakPolarHBondContact CA-OE2 3.4Å; F42-E45 HydrophobicContact CB-CB 4.4Å; F42-E45 PolarHBondContact O-N 3.16Å; E45-L49 VanDerWaalsContact O-CB 3.32Å; E45-L49 WeakPolarHBondContact O-CB 3.47Å; E45-L49 WeakPolarHBondContact O-CG 3.42Å; E45-L49 PolarHBondContact O-N 3.18Å; E45-V55 HydrophobicContact CB-CG2 4.17Å; E45-V55 HydrophobicContact CG-CG1 3.74Å; E45-V55 HydrophobicContact CG-CG2 4.28Å; E45-S59 WeakPolarHBondContact OE1-CB 3.39Å; E45-S59 PolarHBondContact OE1-OG 3.2Å; E45-L61 HydrophobicContact CB-CD1 4.03Å; E45-L61 HydrophobicContact CG-CD1 4.03Å
46Q93.3Very high93.2Very high17 Ų1757.8 Ų57.88%0.07934%0.337CS..Hα-helixtrans-63.9-48.4177.2-162.2171.38.200111.3F42 S43 E44 R48 L49 Q50 G72 I74F42-Q46 WeakPolarHBondContact O-CB 3.25Å; F42-Q46 PolarHBondContact O-N 3.12Å; S43-Q46 PolarHBondContact O-N 3.2Å; E44-Q46 VanDerWaalsContact C-N 3.28Å; E44-Q46 PolarHBondContact O-N 3.34Å; Q46-R48 PolarHBondContact O-N 3.41Å; Q46-L49 PolarHBondContact O-N 3.1Å; Q46-Q50 WeakPolarHBondContact O-CB 3.46Å; Q46-Q50 VanDerWaalsContact O-CG 3.28Å; Q46-Q50 WeakPolarHBondContact O-CG 3.28Å; Q46-Q50 PolarHBondContact O-N 3.34Å; Q46-G72 PolarHBondContact NE2-O 3.48Å; Q46-I74 HydrophobicContact CB-CD1 3.98Å; Q46-I74 HydrophobicContact CG-CD1 4.36Å; Q46-I74 HydrophobicContact CG-CG1 4.39Å
47H93.5Very high93Very high125 Ų12560.6 Ų60.658%0.57935%0.349SS*.Hα-helixtrans-62.7-41.2178.1-77.3-59.5000112.5S43 E44 Q50 S51S43-H47 PolarHBondContact O-CD2 3.09Å; S43-H47 PolarHBondContact O-N 2.92Å; E44-H47 PolarHBondContact O-N 3.41Å; H47-Q50 PolarHBondContact O-N 2.78Å; H47-S51 PolarHBondContact O-N 2.87Å; H47-S51 PolarHBondContact O-OG 3.28Å
48R94.8Very high92.8Very high65 Ų6564.9 Ų64.925%0.24538%0.379CS..Hα-helixtrans-70.5-35179-63.3-167.874.9-137.6-4.9112.9E44 Q46 S51 G52 D53 G54E44-R48 WeakPolarHBondContact O-CG 3.39Å; E44-R48 PolarHBondContact O-N 3.2Å; Q46-R48 PolarHBondContact O-N 3.41Å; R48-S51 VanDerWaalsContact CA-OG 3.3Å; R48-S51 WeakPolarHBondContact CA-OG 3.38Å; R48-S51 PolarHBondContact O-OG 3.41Å; R48-G52 PolarHBondContact O-N 3.21Å; R48-D53 HydrophobicContact CB-CB 4.37Å; R48-D53 PolarHBondContact NH2-O 2.8Å; R48-D53 PolarHBondContact O-N 2.83Å; R48-G54 WeakPolarHBondContact CB-O 3.47Å
49L93.8Very high92.5Very high29 Ų2965.6 Ų65.615%0.15238%0.384CS..Hα-helixtrans-69.1-37.2173.3-74.6170.6000112.6E45 Q46 G52 V55 P66 V68 I74E45-L49 VanDerWaalsContact O-CB 3.32Å; E45-L49 WeakPolarHBondContact O-CB 3.47Å; E45-L49 WeakPolarHBondContact O-CG 3.42Å; E45-L49 PolarHBondContact O-N 3.18Å; Q46-L49 PolarHBondContact O-N 3.1Å; L49-G52 PolarHBondContact O-N 2.88Å; L49-V55 HydrophobicContact CD1-CG2 3.87Å; L49-V55 HydrophobicContact CD2-CG2 3.78Å; L49-V55 HydrophobicContact CG-CG2 3.66Å; L49-P66 HydrophobicContact CD1-CB 4.06Å; L49-P66 HydrophobicContact CD1-CG 4.18Å; L49-P66 HydrophobicContact CD2-CG 4.46Å; L49-P66 VanDerWaalsContact CD2-O 3.27Å; L49-P66 WeakPolarHBondContact CD2-O 3.26Å; L49-V68 HydrophobicContact CB-CG2 3.61Å; L49-V68 HydrophobicContact CD1-CG2 4.07Å; L49-V68 HydrophobicContact CG-CG2 4.49Å; L49-I74 HydrophobicContact CD1-CG1 4.37Å; L49-I74 HydrophobicContact CD1-CG2 3.82Å
50Q92.2Very high92.3Very high113 Ų11367.6 Ų67.653%0.52839%0.388SS..Hα-helixtrans-68.8-32.6176.5-74.6173.2-9.300113Q46 H47 G52Q46-Q50 WeakPolarHBondContact O-CB 3.46Å; Q46-Q50 VanDerWaalsContact O-CG 3.28Å; Q46-Q50 WeakPolarHBondContact O-CG 3.28Å; Q46-Q50 PolarHBondContact O-N 3.34Å; H47-Q50 PolarHBondContact O-N 2.78Å; Q50-G52 VanDerWaalsContact C-N 3.33Å
51S92.6Very high92.2Very high74 Ų7463.8 Ų63.852%0.51736%0.361SS..Hα-helixtrans-80.2-12175.345.60000113.9H47 R48H47-S51 PolarHBondContact O-N 2.87Å; H47-S51 PolarHBondContact O-OG 3.28Å; R48-S51 VanDerWaalsContact CA-OG 3.3Å; R48-S51 WeakPolarHBondContact CA-OG 3.38Å; R48-S51 PolarHBondContact O-OG 3.41Å
52G89.2Confident92.1Very high63 Ų6365.8 Ų65.865%0.64936%0.363SS*.THydrogen-bonded Turntrans87.32.4-178.700000114.6R48 L49 Q50 G54R48-G52 PolarHBondContact O-N 3.21Å; L49-G52 PolarHBondContact O-N 2.88Å; Q50-G52 VanDerWaalsContact C-N 3.33Å; G52-G54 PolarHBondContact O-N 3.42Å
53D87.8Confident92Very high108 Ų10876.2 Ų76.258%0.57840%0.402SS*.  trans-73.8-5.7-179.1-71.7-19.3000113.8R48R48-D53 HydrophobicContact CB-CB 4.37Å; R48-D53 PolarHBondContact NH2-O 2.8Å; R48-D53 PolarHBondContact O-N 2.83Å
54G90Very high91.9Very high27 Ų2775 Ų7528%0.27839%0.391SS..  trans68.4-161.6-173.600000112.4R48 G52R48-G54 WeakPolarHBondContact CB-O 3.47Å; G52-G54 PolarHBondContact O-N 3.42Å
55V92.2Very high91.9Very high16 Ų1677.3 Ų77.310%0.09740%0.399CS..  trans-111.5147.9-178.4174.70000110.5E45 L49 L61 F62 P66E45-V55 HydrophobicContact CB-CG2 4.17Å; E45-V55 HydrophobicContact CG-CG1 3.74Å; E45-V55 HydrophobicContact CG-CG2 4.28Å; L49-V55 HydrophobicContact CD1-CG2 3.87Å; L49-V55 HydrophobicContact CD2-CG2 3.78Å; L49-V55 HydrophobicContact CG-CG2 3.66Å; V55-L61 HydrophobicContact CG1-CB 4.32Å; V55-F62 WeakPolarHBondContact O-CD2 3.45Å; V55-P66 HydrophobicContact CB-CG 4.16Å; V55-P66 HydrophobicContact CG2-CG 3.51Å
56L91.9Very high91.9Very high66 Ų6676.5 Ų76.535%0.34640%0.397SS..  trans-59.8143.8176.5-69.6175.9000110.7E44 S58 S59 F62E44-L56 WeakPolarHBondContact OE1-CD1 3.42Å; L56-S58 WeakPolarHBondContact CB-OG 3.43Å; L56-S58 PolarHBondContact O-N 2.74Å; L56-S59 WeakPolarHBondContact O-CB 3.5Å; L56-S59 PolarHBondContact O-N 2.76Å; L56-F62 WeakPolarHBondContact O-CB 3.39Å
57T90.8Very high92Very high114 Ų11478.7 Ų78.770%0.69941%0.406SS*.THydrogen-bonded Turntrans-60.5-26.6173.848.40000113.1F62T57-F62 HydrophobicContact CG2-CD2 4.24Å; T57-F62 HydrophobicContact CG2-CE1 4.09Å; T57-F62 HydrophobicContact CG2-CE2 3.75Å; T57-F62 HydrophobicContact CG2-CZ 3.68Å
58S92Very high92.1Very high98 Ų9874.6 Ų74.669%0.68539%0.39SS*.THydrogen-bonded Turntrans-75-22.1174.755.90000113.5L56L56-S58 WeakPolarHBondContact CB-OG 3.43Å; L56-S58 PolarHBondContact O-N 2.74Å
59S90.6Very high92Very high16 Ų1672.2 Ų72.211%0.11238%0.382CS..SBendtrans-69.1144-179.4174.80000110.5E45 L56 L61 F62E45-S59 WeakPolarHBondContact OE1-CB 3.39Å; E45-S59 PolarHBondContact OE1-OG 3.2Å; L56-S59 WeakPolarHBondContact O-CB 3.5Å; L56-S59 PolarHBondContact O-N 2.76Å; S59-L61 PolarHBondContact O-N 3.17Å; S59-L61 VanDerWaalsContact O-N 3.15Å; S59-L61 PolarHBondContact OG-N 3.17Å; S59-L61 VanDerWaalsContact OG-N 3.14Å; S59-F62 WeakPolarHBondContact O-CB 3.47Å; S59-F62 PolarHBondContact O-N 3.32Å; S59-F62 VanDerWaalsContact O-N 3.17Å
60R88.6Confident91.9Very high137 Ų13776.8 Ų76.852%0.51742%0.416SS..THydrogen-bonded Turntrans-62.4-21.2174.8-56.8-174.364.9-179.32.1112.3I132 D133R60-I132 VanDerWaalsContact NH2-CG2 3.27Å; R60-D133 IonicContact CZ-OD2 2.65Å; R60-D133 IonicContact NH2-OD1 3.36Å; R60-D133 PolarHBondContact NH2-OD1 2.99Å; R60-D133 IonicContact NH2-OD2 3.24Å; R60-D133 PolarHBondContact NH2-OD2 2.98Å
61L92.4Very high91.8Very high0 Ų075.1 Ų75.10%041%0.409CS..THydrogen-bonded Turntrans-82.7-20.8-179.5-55.4-172000112.9F42 E45 V55 S59 R63 L64 P66 I74 I94 I132F42-L61 HydrophobicContact CB-CD1 4.44Å; F42-L61 HydrophobicContact CD1-CD1 4.1Å; F42-L61 HydrophobicContact CD2-CD1 4.45Å; F42-L61 HydrophobicContact CE1-CD2 4.42Å; F42-L61 HydrophobicContact CG-CD1 4.1Å; F42-L61 HydrophobicContact CZ-CD2 4.44Å; E45-L61 HydrophobicContact CB-CD1 4.03Å; E45-L61 HydrophobicContact CG-CD1 4.03Å; V55-L61 HydrophobicContact CG1-CB 4.32Å; S59-L61 PolarHBondContact O-N 3.17Å; S59-L61 VanDerWaalsContact O-N 3.15Å; S59-L61 PolarHBondContact OG-N 3.17Å; S59-L61 VanDerWaalsContact OG-N 3.14Å; L61-R63 VanDerWaalsContact C-N 3.27Å; L61-R63 PolarHBondContact O-N 3.39Å; L61-R63 VanDerWaalsContact O-N 3.09Å; L61-L64 HydrophobicContact CD2-CD1 4.25Å; L61-L64 WeakPolarHBondContact O-CA 3.11Å; L61-L64 WeakPolarHBondContact O-CB 3.22Å; L61-L64 PolarHBondContact O-N 3.01Å; L61-P66 HydrophobicContact CB-CB 4.47Å; L61-P66 HydrophobicContact CB-CG 4.01Å; L61-P66 VanDerWaalsContact O-CD 3.31Å; L61-P66 WeakPolarHBondContact O-CD 3.13Å; L61-I74 HydrophobicContact CD1-CG2 4.33Å; L61-I94 HydrophobicContact CD2-CD1 4.18Å; L61-I94 HydrophobicContact CD2-CG2 3.68Å; L61-I132 HydrophobicContact CD2-CD1 3.56Å; L61-I132 HydrophobicContact CD2-CG1 4.18Å
62F92.6Very high91.8Very high97 Ų9772.5 Ų72.543%0.42539%0.393SS..G310 helixtrans-49.9-45.2-171.4-176.7-104.7000113.8V55 L56 T57 S59 L64 K65V55-F62 WeakPolarHBondContact O-CD2 3.45Å; L56-F62 WeakPolarHBondContact O-CB 3.39Å; T57-F62 HydrophobicContact CG2-CD2 4.24Å; T57-F62 HydrophobicContact CG2-CE1 4.09Å; T57-F62 HydrophobicContact CG2-CE2 3.75Å; T57-F62 HydrophobicContact CG2-CZ 3.68Å; S59-F62 WeakPolarHBondContact O-CB 3.47Å; S59-F62 PolarHBondContact O-N 3.32Å; S59-F62 VanDerWaalsContact O-N 3.17Å; F62-L64 PolarHBondContact O-N 3.47Å; F62-K65 PolarHBondContact O-N 2.92Å
63R91.6Very high92.1Very high235 Ų23569.6 Ų69.689%0.88736%0.363SS*.G310 helixtrans-68.3-20-178.6-63.5-176.4-178.5-173.7-0.2113.8L61 K65L61-R63 VanDerWaalsContact C-N 3.27Å; L61-R63 PolarHBondContact O-N 3.39Å; L61-R63 VanDerWaalsContact O-N 3.09Å; R63-K65 VanDerWaalsContact C-N 3.26Å
64L92.3Very high92.5Very high32 Ų3264.4 Ų64.417%0.16834%0.335CS..G310 helixtrans-84.81.4179.5-57.5176000112.6L61 F62 P66 V76 G77 I94 W130L61-L64 HydrophobicContact CD2-CD1 4.25Å; L61-L64 WeakPolarHBondContact O-CA 3.11Å; L61-L64 WeakPolarHBondContact O-CB 3.22Å; L61-L64 PolarHBondContact O-N 3.01Å; F62-L64 PolarHBondContact O-N 3.47Å; L64-P66 VanDerWaalsContact C-N 3.34Å; L64-V76 HydrophobicContact CB-CG1 4.39Å; L64-G77 PolarHBondContact O-N 3.33Å; L64-G77 VanDerWaalsContact O-N 3.14Å; L64-I94 HydrophobicContact CB-CD1 4.39Å; L64-I94 HydrophobicContact CD1-CD1 3.95Å; L64-I94 HydrophobicContact CD1-CG2 4.5Å; L64-W130 HydrophobicContact CD2-CZ2 4.15Å
65K92.9Very high92.7Very high159 Ų15963.1 Ų63.169%0.69132%0.322SS*.  trans42.858.3-175.5-63.3-171.8176.1-170.20111.5F62 R63 G77F62-K65 PolarHBondContact O-N 2.92Å; R63-K65 VanDerWaalsContact C-N 3.26Å; K65-G77 VanDerWaalsContact O-CA 3.23Å; K65-G77 WeakPolarHBondContact O-CA 3.5Å; K65-G77 PolarHBondContact O-N 2.85Å; K65-G77 VanDerWaalsContact O-N 3.13Å
66P95.1Very high92.9Very high16 Ų1663.2 Ų63.210%0.10432%0.323CS..  trans-69.3150.4-168.231.5-36.1000110.5L49 V55 L61 L64 I74 R75 I94L49-P66 HydrophobicContact CD1-CB 4.06Å; L49-P66 HydrophobicContact CD1-CG 4.18Å; L49-P66 HydrophobicContact CD2-CG 4.46Å; L49-P66 VanDerWaalsContact CD2-O 3.27Å; L49-P66 WeakPolarHBondContact CD2-O 3.26Å; V55-P66 HydrophobicContact CB-CG 4.16Å; V55-P66 HydrophobicContact CG2-CG 3.51Å; L61-P66 HydrophobicContact CB-CB 4.47Å; L61-P66 HydrophobicContact CB-CG 4.01Å; L61-P66 VanDerWaalsContact O-CD 3.31Å; L61-P66 WeakPolarHBondContact O-CD 3.13Å; L64-P66 VanDerWaalsContact C-N 3.34Å; P66-I74 HydrophobicContact CB-CG2 3.81Å; P66-R75 VanDerWaalsContact CA-O 3.27Å; P66-R75 WeakPolarHBondContact CA-O 3.23Å; P66-I94 HydrophobicContact CB-CD1 4.13Å
67F94.6Very high92.8Very high63 Ų6360.6 Ų60.628%0.27631%0.312SS..EExtended strand (participates in β ladder)trans-140.4159171.272.2-83.8000110D69 I74 R75 F87 H91F67-D69 HydrophobicContact CE2-CB 4.27Å; F67-I74 WeakPolarHBondContact O-CA 3.43Å; F67-R75 HydrophobicContact CE1-CB 4.05Å; F67-R75 HydrophobicContact CZ-CB 4.05Å; F67-R75 PolarHBondContact N-O 2.79Å; F67-R75 VanDerWaalsContact N-O 3.09Å; F67-R75 PolarHBondContact O-N 2.75Å; F67-F87 HydrophobicContact CE2-CZ 4.34Å; F67-F87 HydrophobicContact CZ-CZ 4.25Å; F67-H91 HydrophobicContact CE1-CB 3.97Å; F67-H91 AromaticContact CE1-CD2 3.77Å; F67-H91 AromaticContact CE1-CG 3.83Å; F67-H91 HydrophobicContact CZ-CB 3.74Å; F67-H91 AromaticContact CZ-CG 3.65Å
68V95.2Very high92.5Very high39 Ų3956.6 Ų56.624%0.23629%0.293CS..EExtended strand (participates in β ladder)trans-96128.1174.6173.60000108.7L49 L73 I74L49-V68 HydrophobicContact CB-CG2 3.61Å; L49-V68 HydrophobicContact CD1-CG2 4.07Å; L49-V68 HydrophobicContact CG-CG2 4.49Å; V68-L73 WeakPolarHBondContact CA-O 3.39Å; V68-I74 HydrophobicContact CG2-CG1 4.22Å
69D93.5Very high92.2Very high14 Ų1464 Ų648%0.07531%0.306CS..  trans-83.2179.9177.375.7-5.7000113F67 E71 G72 L73 R75 F87F67-D69 HydrophobicContact CE2-CB 4.27Å; D69-E71 PolarHBondContact O-N 3.24Å; D69-E71 VanDerWaalsContact O-N 3.16Å; D69-E71 WeakPolarHBondContact OD1-CA 3.34Å; D69-E71 WeakPolarHBondContact OD1-CB 3.44Å; D69-E71 PolarHBondContact OD1-N 3.21Å; D69-G72 PolarHBondContact O-N 3.13Å; D69-G72 PolarHBondContact OD1-N 2.94Å; D69-L73 PolarHBondContact N-O 3.26Å; D69-L73 PolarHBondContact OD1-N 3.26Å; D69-R75 IonicContact OD2-CZ 2.7Å; D69-R75 IonicContact OD2-NE 3.51Å; D69-R75 PolarHBondContact OD2-NE 3.05Å; D69-R75 IonicContact OD2-NH2 2.69Å; D69-R75 PolarHBondContact OD2-NH2 3.49Å; D69-F87 HydrophobicContact CB-CE1 4.31Å; D69-F87 HydrophobicContact CB-CZ 4.3Å
70S91.2Very high92.1Very high125 Ų12567.7 Ų67.787%0.87432%0.324SS*.THydrogen-bonded Turntrans-62.9-16.917654.50000114.2
71E90Very high92Very high78 Ų7867.1 Ų67.136%0.36433%0.327SS..THydrogen-bonded Turntrans-93.2-0.1176.9-61.4-179.7-9300112.2K31 D69 L73 R75K31-E71 WeakPolarHBondContact CD-OE2 3.43Å; K31-E71 VanDerWaalsContact NZ-CD 3.33Å; K31-E71 IonicContact NZ-OE1 3.88Å; K31-E71 PolarHBondContact NZ-OE1 3.46Å; K31-E71 IonicContact NZ-OE2 2.75Å; K31-E71 PolarHBondContact NZ-OE2 3.32Å; K31-E71 VanDerWaalsContact NZ-OE2 3.15Å; D69-E71 PolarHBondContact O-N 3.24Å; D69-E71 VanDerWaalsContact O-N 3.16Å; D69-E71 WeakPolarHBondContact OD1-CA 3.34Å; D69-E71 WeakPolarHBondContact OD1-CB 3.44Å; D69-E71 PolarHBondContact OD1-N 3.21Å; E71-L73 HydrophobicContact CB-CG 4.46Å; E71-R75 IonicContact OE1-NH2 3.11Å
72G92.4Very high91.9Very high19 Ų1978.8 Ų78.820%0.19637%0.371CS..SBendtrans80.612.6-179.400000114.3Q46 D69Q46-G72 PolarHBondContact NE2-O 3.48Å; D69-G72 PolarHBondContact O-N 3.13Å; D69-G72 PolarHBondContact OD1-N 2.94Å
73L95.6Very high91.8Very high2 Ų275.4 Ų75.41%0.0136%0.361CS..  trans-90.3136.8-180-64176.1000111.4K31 V34 R35 V68 D69 E71 R75K31-L73 HydrophobicContact CB-CD1 4.08Å; K31-L73 HydrophobicContact CD-CD1 4.33Å; K31-L73 HydrophobicContact CG-CD1 4.04Å; V34-L73 HydrophobicContact CB-CD2 4.39Å; V34-L73 HydrophobicContact CG1-CD2 4.02Å; R35-L73 HydrophobicContact CB-CD2 3.69Å; R35-L73 HydrophobicContact CG-CD2 4.2Å; V68-L73 WeakPolarHBondContact CA-O 3.39Å; D69-L73 PolarHBondContact N-O 3.26Å; D69-L73 PolarHBondContact OD1-N 3.26Å; E71-L73 HydrophobicContact CB-CG 4.46Å; L73-R75 PolarHBondContact O-N 3.37Å
74I96.2Very high91.9Very high0 Ų072.4 Ų72.40%036%0.363CS..EExtended strand (participates in β ladder)trans-75.3118.6170-50.2175.7000108.7Q38 F42 Q46 L49 L61 P66 F67 V68 I94Q38-I74 PolarHBondContact NE2-O 3.22Å; F42-I74 HydrophobicContact CB-CD1 3.79Å; Q46-I74 HydrophobicContact CB-CD1 3.98Å; Q46-I74 HydrophobicContact CG-CD1 4.36Å; Q46-I74 HydrophobicContact CG-CG1 4.39Å; L49-I74 HydrophobicContact CD1-CG1 4.37Å; L49-I74 HydrophobicContact CD1-CG2 3.82Å; L61-I74 HydrophobicContact CD1-CG2 4.33Å; P66-I74 HydrophobicContact CB-CG2 3.81Å; F67-I74 WeakPolarHBondContact O-CA 3.43Å; V68-I74 HydrophobicContact CG2-CG1 4.22Å; I74-I94 HydrophobicContact CG2-CD1 4.09Å; I74-I94 PolarHBondContact O-N 3.11Å
75R95.6Very high91.8Very high0 Ų075 Ų750%038%0.376CS..EExtended strand (participates in β ladder)trans-120.3157.1-179-71.2176.9-179.8-97.211.8111.8P66 F67 D69 E71 L73 G77 D88 H91 P92 P93P66-R75 VanDerWaalsContact CA-O 3.27Å; P66-R75 WeakPolarHBondContact CA-O 3.23Å; F67-R75 HydrophobicContact CE1-CB 4.05Å; F67-R75 HydrophobicContact CZ-CB 4.05Å; F67-R75 PolarHBondContact N-O 2.79Å; F67-R75 VanDerWaalsContact N-O 3.09Å; F67-R75 PolarHBondContact O-N 2.75Å; D69-R75 IonicContact OD2-CZ 2.7Å; D69-R75 IonicContact OD2-NE 3.51Å; D69-R75 PolarHBondContact OD2-NE 3.05Å; D69-R75 IonicContact OD2-NH2 2.69Å; D69-R75 PolarHBondContact OD2-NH2 3.49Å; E71-R75 IonicContact OE1-NH2 3.11Å; L73-R75 PolarHBondContact O-N 3.37Å; R75-G77 PolarHBondContact O-N 3.33Å; R75-D88 IonicContact CZ-OD1 3.72Å; R75-D88 IonicContact NH1-OD1 2.68Å; R75-D88 PolarHBondContact NH1-OD1 2.96Å; R75-D88 IonicContact NH2-OD1 3.15Å; R75-D88 PolarHBondContact NH2-OD1 3Å; R75-H91 HydrophobicContact CB-CB 4.11Å; R75-H91 WeakPolarHBondContact CD-O 3.25Å; R75-H91 WeakPolarHBondContact CG-O 3.42Å; R75-H91 PolarHBondContact NH1-O 2.87Å; R75-P92 WeakPolarHBondContact CA-O 3.36Å; R75-P93 HydrophobicContact CG-CB 4.37Å
76V94.9Very high91.8Very high18 Ų1872.1 Ų72.111%0.10937%0.372CS..  trans-69.6124.4172.5-179.40000109.1L64 H91 P92 I94 W130L64-V76 HydrophobicContact CB-CG1 4.39Å; V76-H91 WeakPolarHBondContact O-CA 3.38Å; V76-H91 PolarHBondContact O-CD2 2.96Å; V76-P92 HydrophobicContact CB-CG 4.41Å; V76-P92 HydrophobicContact CG2-CG 4.35Å; V76-P92 PolarHBondContact N-O 3.3Å; V76-P92 VanDerWaalsContact N-O 3.08Å; V76-I94 HydrophobicContact CG2-CD1 3.89Å; V76-I94 HydrophobicContact CG2-CG1 3.57Å; V76-W130 HydrophobicContact CG2-CB 3.5Å; V76-W130 VanDerWaalsContact CG2-CB 3.5Å; V76-W130 HydrophobicContact CG2-CD2 3.91Å; V76-W130 HydrophobicContact CG2-CG 3.4Å; V76-W130 VanDerWaalsContact CG2-CG 3.4Å
77G90.6Very high91.6Very high11 Ų1175.5 Ų75.511%0.11339%0.385CS..  trans-88.6154.5164.400000110.5L64 K65 R75L64-G77 PolarHBondContact O-N 3.33Å; L64-G77 VanDerWaalsContact O-N 3.14Å; K65-G77 VanDerWaalsContact O-CA 3.23Å; K65-G77 WeakPolarHBondContact O-CA 3.5Å; K65-G77 PolarHBondContact O-N 2.85Å; K65-G77 VanDerWaalsContact O-N 3.13Å; R75-G77 PolarHBondContact O-N 3.33Å
78G83.7Confident91.4Very high30 Ų3074.8 Ų74.831%0.30938%0.384SS..SBendtrans164.5-160.5177.200000117.2L80 E81G78-L80 PolarHBondContact O-N 2.96Å; G78-E81 WeakPolarHBondContact O-CG 3.34Å
79R86Confident91.2Very high254 Ų25474 Ų7496%0.95838%0.382SS*.THydrogen-bonded Turntrans-75.9-5.9-164.7-52.9177.898.9178.65.2114.2
80L89.3Confident91.2Very high92 Ų9276.5 Ų76.548%0.48239%0.39SS..THydrogen-bonded Turntrans-91.96.1-177.6-64.6-179.5000113.5G78 R82 A83 R90G78-L80 PolarHBondContact O-N 2.96Å; L80-R82 PolarHBondContact O-N 2.86Å; L80-R82 VanDerWaalsContact O-N 3.1Å; L80-A83 HydrophobicContact CB-CB 4.3Å; L80-A83 HydrophobicContact CD2-CB 4.35Å; L80-A83 VanDerWaalsContact O-CB 3.24Å; L80-A83 WeakPolarHBondContact O-CB 3.4Å; L80-A83 PolarHBondContact O-N 3.17Å; L80-R90 WeakPolarHBondContact O-CD 3.27Å; L80-R90 WeakPolarHBondContact O-CG 3.28Å
81E86.8Confident91.3Very high125 Ų12571.3 Ų71.358%0.58435%0.352SS*.THydrogen-bonded Turntrans-49.2-39.7179.8-79.4169.1-16300113.7G78 R90G78-E81 WeakPolarHBondContact O-CG 3.34Å; E81-R90 WeakPolarHBondContact O-CD 3.39Å
82R90.2Very high91.6Very high245 Ų24567.9 Ų67.993%0.92534%0.337SS*.THydrogen-bonded Turntrans-94.16.3-178.5-59.7-176.8-176.21690.3114.1L80L80-R82 PolarHBondContact O-N 2.86Å; L80-R82 VanDerWaalsContact O-N 3.1Å
83A91Very high91.8Very high27 Ų2767.4 Ų67.422%0.22333%0.33CS..SBendtrans-73.8144.7179.300000111.3L80 L85 R90L80-A83 HydrophobicContact CB-CB 4.3Å; L80-A83 HydrophobicContact CD2-CB 4.35Å; L80-A83 VanDerWaalsContact O-CB 3.24Å; L80-A83 WeakPolarHBondContact O-CB 3.4Å; L80-A83 PolarHBondContact O-N 3.17Å; A83-L85 HydrophobicContact CB-CD1 3.98Å; A83-L85 HydrophobicContact CB-CG 4.08Å; A83-L85 PolarHBondContact O-N 3.31Å; A83-R90 WeakPolarHBondContact O-CD 3.36Å; A83-R90 PolarHBondContact O-NH1 2.94Å
84N93.7Very high91.8Very high172 Ų17267.3 Ų67.392%0.9233%0.33SS*.SBendtrans-77.765.4173.2-170.523.2000111.1
85L90.1Very high91.8Very high85 Ų8567.3 Ų67.345%0.44533%0.33SS..SBendtrans-128.2166.5-179.3-65.7174.7000109.8A83 A89 R90A83-L85 HydrophobicContact CB-CD1 3.98Å; A83-L85 HydrophobicContact CB-CG 4.08Å; A83-L85 PolarHBondContact O-N 3.31Å; L85-A89 HydrophobicContact CB-CB 4.21Å; L85-R90 HydrophobicContact CB-CG 3.84Å; L85-R90 VanDerWaalsContact O-CZ 3.23Å; L85-R90 PolarHBondContact O-NH1 2.87Å
86T91.1Very high91.9Very high99 Ų9968.2 Ų68.261%0.60734%0.336SS*.  trans-65155.8171.262.40000110.5D88 A89 R90T86-D88 VanDerWaalsContact C-N 3.27Å; T86-D88 PolarHBondContact O-N 3.26Å; T86-A89 PolarHBondContact O-N 2.91Å; T86-A89 VanDerWaalsContact O-N 3.11Å; T86-A89 VanDerWaalsContact OG1-CB 3.3Å; T86-A89 WeakPolarHBondContact OG1-CB 3.45Å; T86-A89 PolarHBondContact OG1-N 3.33Å; T86-R90 PolarHBondContact O-N 2.89Å
87F91.2Very high91.8Very high87 Ų8767.8 Ų67.838%0.38233%0.334SS..Hα-helixtrans-57.2-42.8178.5-179.4-97.3000112F67 D69 A89 R90 H91F67-F87 HydrophobicContact CE2-CZ 4.34Å; F67-F87 HydrophobicContact CZ-CZ 4.25Å; D69-F87 HydrophobicContact CB-CE1 4.31Å; D69-F87 HydrophobicContact CB-CZ 4.3Å; F87-A89 VanDerWaalsContact C-N 3.31Å; F87-A89 PolarHBondContact O-N 2.84Å; F87-R90 PolarHBondContact O-N 3.18Å; F87-H91 AromaticContact CD2-ND1 3.67Å; F87-H91 AromaticContact CE2-ND1 3.39Å; F87-H91 WeakPolarHBondContact CE2-ND1 3.26Å; F87-H91 HydrophobicContact CZ-CB 4.45Å; F87-H91 AromaticContact CZ-ND1 3.97Å; F87-H91 PolarHBondContact O-N 2.82Å
88D90.4Very high91.9Very high48 Ų4877.5 Ų77.526%0.25737%0.367SS..Hα-helixtrans-63.7-33.9177.3-71.3-33000112.8K31 R75 T86 H91 P92K31-D88 IonicContact NZ-OD2 3.15Å; R75-D88 IonicContact CZ-OD1 3.72Å; R75-D88 IonicContact NH1-OD1 2.68Å; R75-D88 PolarHBondContact NH1-OD1 2.96Å; R75-D88 IonicContact NH2-OD1 3.15Å; R75-D88 PolarHBondContact NH2-OD1 3Å; T86-D88 VanDerWaalsContact C-N 3.27Å; T86-D88 PolarHBondContact O-N 3.26Å; D88-H91 CarbonylContact O-C 3.52Å; D88-P92 WeakPolarHBondContact O-CA 3.25Å; D88-P92 VanDerWaalsContact O-N 3.09Å
89A91.2Very high92.4Very high22 Ų2279.2 Ų79.218%0.18237%0.367CS..Hα-helixtrans-77.7-31.6176.700000112.9L85 T86 F87L85-A89 HydrophobicContact CB-CB 4.21Å; T86-A89 PolarHBondContact O-N 2.91Å; T86-A89 VanDerWaalsContact O-N 3.11Å; T86-A89 VanDerWaalsContact OG1-CB 3.3Å; T86-A89 WeakPolarHBondContact OG1-CB 3.45Å; T86-A89 PolarHBondContact OG1-N 3.33Å; F87-A89 VanDerWaalsContact C-N 3.31Å; F87-A89 PolarHBondContact O-N 2.84Å
90R93.5Very high92.9Very high67 Ų6770.3 Ų70.325%0.25335%0.347SS..Hα-helixtrans-71.4-42.6173.4-71.6-167.4-71.6-108.6-4.3112L80 E81 A83 L85 T86 F87 P92L80-R90 WeakPolarHBondContact O-CD 3.27Å; L80-R90 WeakPolarHBondContact O-CG 3.28Å; E81-R90 WeakPolarHBondContact O-CD 3.39Å; A83-R90 WeakPolarHBondContact O-CD 3.36Å; A83-R90 PolarHBondContact O-NH1 2.94Å; L85-R90 HydrophobicContact CB-CG 3.84Å; L85-R90 VanDerWaalsContact O-CZ 3.23Å; L85-R90 PolarHBondContact O-NH1 2.87Å; T86-R90 PolarHBondContact O-N 2.89Å; F87-R90 PolarHBondContact O-N 3.18Å; R90-P92 VanDerWaalsContact C-CD 3.42Å; R90-P92 WeakPolarHBondContact O-CD 3.46Å
91H94.7Very high93.2Very high16 Ų1667.1 Ų67.17%0.07433%0.33CS..SBendtrans-126.869.6-174.5-51.8120.7000109.4F67 R75 V76 F87 D88F67-H91 HydrophobicContact CE1-CB 3.97Å; F67-H91 AromaticContact CE1-CD2 3.77Å; F67-H91 AromaticContact CE1-CG 3.83Å; F67-H91 HydrophobicContact CZ-CB 3.74Å; F67-H91 AromaticContact CZ-CG 3.65Å; R75-H91 HydrophobicContact CB-CB 4.11Å; R75-H91 WeakPolarHBondContact CD-O 3.25Å; R75-H91 WeakPolarHBondContact CG-O 3.42Å; R75-H91 PolarHBondContact NH1-O 2.87Å; V76-H91 WeakPolarHBondContact O-CA 3.38Å; V76-H91 PolarHBondContact O-CD2 2.96Å; F87-H91 AromaticContact CD2-ND1 3.67Å; F87-H91 AromaticContact CE2-ND1 3.39Å; F87-H91 WeakPolarHBondContact CE2-ND1 3.26Å; F87-H91 HydrophobicContact CZ-CB 4.45Å; F87-H91 AromaticContact CZ-ND1 3.97Å; F87-H91 PolarHBondContact O-N 2.82Å; D88-H91 CarbonylContact O-C 3.52Å
92P95.2Very high93.7Very high7 Ų761.1 Ų61.15%0.04530%0.303CS..PPolyproline II helixtrans-62.9141.7-179.424.4-34000111R75 V76 D88 R90 C126 W130R75-P92 WeakPolarHBondContact CA-O 3.36Å; V76-P92 HydrophobicContact CB-CG 4.41Å; V76-P92 HydrophobicContact CG2-CG 4.35Å; V76-P92 PolarHBondContact N-O 3.3Å; V76-P92 VanDerWaalsContact N-O 3.08Å; D88-P92 WeakPolarHBondContact O-CA 3.25Å; D88-P92 VanDerWaalsContact O-N 3.09Å; R90-P92 VanDerWaalsContact C-CD 3.42Å; R90-P92 WeakPolarHBondContact O-CD 3.46Å; P92-C126 WeakPolarHBondContact CB-O 3.24Å; P92-W130 HydrophobicContact CB-CB 4.1Å; P92-W130 HydrophobicContact CG-CB 3.92Å; P92-W130 HydrophobicContact CG-CE3 4.19Å
93P96.2Very high94Very high8 Ų851.1 Ų51.15%0.05227%0.268CS..BIsolated β-bridgetrans-67.9141.2176.129.6-33.7000110.7V34 R75 T128 A129 W130V34-P93 HydrophobicContact CG1-CB 3.87Å; V34-P93 HydrophobicContact CG1-CG 4.46Å; R75-P93 HydrophobicContact CG-CB 4.37Å; P93-T128 VanDerWaalsContact CD-O 3.23Å; P93-T128 WeakPolarHBondContact CD-O 3.39Å; P93-A129 HydrophobicContact CG-CB 4.37Å; P93-A129 CarbonylContact O-C 3.52Å; P93-A129 WeakPolarHBondContact O-CA 3.06Å; P93-W130 PolarHBondContact O-N 2.69Å
94I96.7Very high94.3Very high0 Ų055.1 Ų55.10%029%0.286CS..EExtended strand (participates in β ladder)trans-86.1134.7-173.8-56.9175000111Q38 F42 L61 L64 P66 I74 V76 W130 I132Q38-I94 PolarHBondContact NE2-O 3.34Å; F42-I94 HydrophobicContact CE2-CG2 4.31Å; L61-I94 HydrophobicContact CD2-CD1 4.18Å; L61-I94 HydrophobicContact CD2-CG2 3.68Å; L64-I94 HydrophobicContact CB-CD1 4.39Å; L64-I94 HydrophobicContact CD1-CD1 3.95Å; L64-I94 HydrophobicContact CD1-CG2 4.5Å; P66-I94 HydrophobicContact CB-CD1 4.13Å; I74-I94 HydrophobicContact CG2-CD1 4.09Å; I74-I94 PolarHBondContact O-N 3.11Å; V76-I94 HydrophobicContact CG2-CD1 3.89Å; V76-I94 HydrophobicContact CG2-CG1 3.57Å; I94-W130 CarbonylContact C-O 3.41Å; I94-W130 WeakPolarHBondContact CA-O 3.46Å; I94-I132 HydrophobicContact CG2-CD1 4.2Å; I94-I132 HydrophobicContact CG2-CG1 3.89Å
95L96.6Very high94.4Very high0 Ų048.8 Ų48.80%025%0.25CC..EExtended strand (participates in β ladder)trans-126.9143.8174.5-74.6175.6000112.2V34 V37 L101 A102 F105 A129 W130 I131 I132V34-L95 HydrophobicContact CB-CD2 4.47Å; V34-L95 HydrophobicContact CG1-CD2 4.07Å; V34-L95 HydrophobicContact CG2-CD1 4.41Å; V34-L95 HydrophobicContact CG2-CD2 4.27Å; V37-L95 HydrophobicContact CB-CD2 4.21Å; V37-L95 HydrophobicContact CG1-CD2 3.94Å; L95-L101 HydrophobicContact CD1-CD2 4.47Å; L95-L101 HydrophobicContact CD1-CG 4.47Å; L95-L101 HydrophobicContact CD2-CD2 3.98Å; L95-A102 HydrophobicContact CB-CB 4.38Å; L95-F105 HydrophobicContact CD1-CD2 3.71Å; L95-F105 HydrophobicContact CD1-CE2 3.85Å; L95-A129 HydrophobicContact CD1-CB 3.94Å; L95-W130 PolarHBondContact N-O 3.3Å; L95-I131 HydrophobicContact CB-CG1 4.36Å; L95-I131 WeakPolarHBondContact O-CA 3.38Å; L95-I132 PolarHBondContact O-N 3.29Å
96P96.2Very high94.7Very high20 Ų2044.7 Ų44.713%0.1323%0.229CC..  trans-70.3140.9173.828.5-33.6000111.9V37 C41 F42 R98 H99 A102V37-P96 HydrophobicContact CG1-CG 3.8Å; C41-P96 HydrophobicContact CB-CG 4.15Å; F42-P96 HydrophobicContact CE2-CG 4.43Å; F42-P96 HydrophobicContact CZ-CB 3.83Å; F42-P96 HydrophobicContact CZ-CG 4.2Å; P96-R98 VanDerWaalsContact C-N 3.29Å; P96-R98 PolarHBondContact O-N 3.32Å; P96-H99 HydrophobicContact CG-CB 3.66Å; P96-H99 PolarHBondContact O-N 3.24Å; P96-A102 VanDerWaalsContact O-CB 3.25Å; P96-A102 WeakPolarHBondContact O-CB 3.35Å
97S93.8Very high95Very high9 Ų946.4 Ų46.46%0.06322%0.224CC..THydrogen-bonded Turntrans-59.9-31-176.737.60000115.5I132 R140S97-I132 WeakPolarHBondContact CB-O 3.48Å; S97-R140 PolarHBondContact O-NH2 3.36Å
98R91.7Very high95.3Very high215 Ų21544 Ų4481%0.81122%0.224SC*.THydrogen-bonded Turntrans-99.7-1.3-169.6-60.9-169177-162.61113.9P96P96-R98 VanDerWaalsContact C-N 3.29Å; P96-R98 PolarHBondContact O-N 3.32Å
99H95.9Very high95.6Very high66 Ų6642.7 Ų42.731%0.30622%0.218SC..SBendtrans-80.7147.2-178.8-167-89.1000111.8V37 P96 L101 A102 T103V37-H99 HydrophobicContact CG1-CB 4.35Å; V37-H99 WeakPolarHBondContact CG2-CE1 3.5Å; P96-H99 HydrophobicContact CG-CB 3.66Å; P96-H99 PolarHBondContact O-N 3.24Å; H99-L101 WeakPolarHBondContact ND1-CB 3.45Å; H99-L101 PolarHBondContact ND1-N 3.18Å; H99-L101 VanDerWaalsContact ND1-N 3.12Å; H99-L101 PolarHBondContact O-N 2.87Å; H99-A102 PolarHBondContact O-N 3.32Å; H99-A102 VanDerWaalsContact O-N 3.13Å; H99-T103 PolarHBondContact O-N 2.9Å
100A96.2Very high95.9Very high67 Ų6741.8 Ų41.855%0.55421%0.209SC*.Hα-helixtrans-56.9-37.8-179.500000112.2A102 T103 L104A100-A102 PolarHBondContact O-N 3.28Å; A100-T103 WeakPolarHBondContact O-CB 3.3Å; A100-T103 PolarHBondContact O-N 3.17Å; A100-L104 WeakPolarHBondContact O-CG 3.42Å; A100-L104 PolarHBondContact O-N 2.87Å
101L95.5Very high96.1Very high24 Ų2442.4 Ų42.413%0.12622%0.215CC..Hα-helixtrans-59.2-45.7177.1-171.163.5000112.3C33 V34 V37 L95 H99 T103 L104 F105C33-L101 HydrophobicContact CB-CD1 4.02Å; C33-L101 HydrophobicContact CB-CD2 3.94Å; C33-L101 WeakPolarHBondContact O-CD2 3.22Å; V34-L101 HydrophobicContact CG2-CD2 4.17Å; V37-L101 HydrophobicContact CB-CD2 4.24Å; V37-L101 HydrophobicContact CG2-CB 4.02Å; V37-L101 HydrophobicContact CG2-CD2 3.56Å; V37-L101 HydrophobicContact CG2-CG 4.44Å; L95-L101 HydrophobicContact CD1-CD2 4.47Å; L95-L101 HydrophobicContact CD1-CG 4.47Å; L95-L101 HydrophobicContact CD2-CD2 3.98Å; H99-L101 WeakPolarHBondContact ND1-CB 3.45Å; H99-L101 PolarHBondContact ND1-N 3.18Å; H99-L101 VanDerWaalsContact ND1-N 3.12Å; H99-L101 PolarHBondContact O-N 2.87Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.32Å; L101-L104 WeakPolarHBondContact O-CB 3.49Å; L101-L104 PolarHBondContact O-N 2.8Å; L101-L104 VanDerWaalsContact O-N 3.11Å; L101-F105 HydrophobicContact CD1-CD2 4.13Å; L101-F105 HydrophobicContact CD1-CE2 3.85Å; L101-F105 HydrophobicContact CD2-CE2 4.15Å; L101-F105 HydrophobicContact CG-CD2 3.91Å; L101-F105 HydrophobicContact CG-CE2 3.75Å; L101-F105 VanDerWaalsContact O-CD2 3.32Å; L101-F105 WeakPolarHBondContact O-CD2 3.25Å; L101-F105 PolarHBondContact O-N 3.18Å
102A96.7Very high96.2Very high0 Ų048.7 Ų48.70%024%0.244CC..Hα-helixtrans-61.4-40.9176.900000111.4L95 P96 H99 A100 L104 F105 I106 I131L95-A102 HydrophobicContact CB-CB 4.38Å; P96-A102 VanDerWaalsContact O-CB 3.25Å; P96-A102 WeakPolarHBondContact O-CB 3.35Å; H99-A102 PolarHBondContact O-N 3.32Å; H99-A102 VanDerWaalsContact O-N 3.13Å; A100-A102 PolarHBondContact O-N 3.28Å; A102-L104 VanDerWaalsContact C-N 3.34Å; A102-L104 PolarHBondContact O-N 3.17Å; A102-F105 PolarHBondContact O-N 3.31Å; A102-I106 WeakPolarHBondContact O-CD1 3.47Å; A102-I106 VanDerWaalsContact O-CG1 3.28Å; A102-I106 WeakPolarHBondContact O-CG1 3.49Å; A102-I106 PolarHBondContact O-N 2.88Å; A102-I131 HydrophobicContact CB-CD1 4.11Å; A102-I131 HydrophobicContact CB-CG1 4.33Å; A102-I131 HydrophobicContact CB-CG2 4.23Å
103T97.2Very high96.3Very high34 Ų3452 Ų5221%0.20926%0.259CS..Hα-helixtrans-59.9-42.8173.2-63.70000111.8H99 A100 L101 R107 V141H99-T103 PolarHBondContact O-N 2.9Å; A100-T103 WeakPolarHBondContact O-CB 3.3Å; A100-T103 PolarHBondContact O-N 3.17Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.32Å; T103-R107 WeakPolarHBondContact O-CB 3.44Å; T103-R107 PolarHBondContact O-N 2.9Å; T103-V141 HydrophobicContact CG2-CG2 3.92Å
104L96.2Very high96.3Very high112 Ų11259.1 Ų59.159%0.58630%0.296SS*.Hα-helixtrans-65.1-42.2177.5-70.4172.4000112.4A100 L101 A102 R107 G108A100-L104 WeakPolarHBondContact O-CG 3.42Å; A100-L104 PolarHBondContact O-N 2.87Å; L101-L104 WeakPolarHBondContact O-CB 3.49Å; L101-L104 PolarHBondContact O-N 2.8Å; L101-L104 VanDerWaalsContact O-N 3.11Å; A102-L104 VanDerWaalsContact C-N 3.34Å; A102-L104 PolarHBondContact O-N 3.17Å; L104-R107 PolarHBondContact O-N 3.04Å; L104-G108 PolarHBondContact O-N 3.46Å
105F95.4Very high96.3Very high38 Ų3861.7 Ų61.717%0.16731%0.308CS..Hα-helixtrans-60.7-48.8175.3-90.3-81.7000112.1S30 V34 L95 L101 A102 T109S30-F105 WeakPolarHBondContact OG-CZ 3.21Å; V34-F105 HydrophobicContact CG2-CE2 4.09Å; V34-F105 HydrophobicContact CG2-CZ 4.14Å; L95-F105 HydrophobicContact CD1-CD2 3.71Å; L95-F105 HydrophobicContact CD1-CE2 3.85Å; L101-F105 HydrophobicContact CD1-CD2 4.13Å; L101-F105 HydrophobicContact CD1-CE2 3.85Å; L101-F105 HydrophobicContact CD2-CE2 4.15Å; L101-F105 HydrophobicContact CG-CD2 3.91Å; L101-F105 HydrophobicContact CG-CE2 3.75Å; L101-F105 VanDerWaalsContact O-CD2 3.32Å; L101-F105 WeakPolarHBondContact O-CD2 3.25Å; L101-F105 PolarHBondContact O-N 3.18Å; A102-F105 PolarHBondContact O-N 3.31Å; F105-T109 WeakPolarHBondContact O-CB 3.32Å; F105-T109 PolarHBondContact O-N 3.36Å; F105-T109 PolarHBondContact O-OG1 3.25Å
106I97.7Very high96.3Very high0 Ų062.5 Ų62.50%031%0.314CS..Hα-helixtrans-62-49.4178.9-66.1164.3000109.9A102 T109 H110 T121 T125 I131 A137 V138 V141A102-I106 WeakPolarHBondContact O-CD1 3.47Å; A102-I106 VanDerWaalsContact O-CG1 3.28Å; A102-I106 WeakPolarHBondContact O-CG1 3.49Å; A102-I106 PolarHBondContact O-N 2.88Å; I106-T109 PolarHBondContact O-N 3.03Å; I106-H110 VanDerWaalsContact O-CB 3.24Å; I106-H110 WeakPolarHBondContact O-CB 3.26Å; I106-H110 PolarHBondContact O-N 2.98Å; I106-T121 HydrophobicContact CG2-CG2 4.15Å; I106-T125 HydrophobicContact CG1-CG2 4.17Å; I106-I131 HydrophobicContact CD1-CD1 3.49Å; I106-I131 VanDerWaalsContact CD1-CD1 3.49Å; I106-I131 HydrophobicContact CG1-CD1 3.37Å; I106-A137 HydrophobicContact CD1-CB 3.68Å; I106-V138 HydrophobicContact CD1-CG2 4.01Å; I106-V138 HydrophobicContact CG1-CG2 4Å; I106-V138 HydrophobicContact CG2-CB 4.33Å; I106-V138 HydrophobicContact CG2-CG1 4.4Å; I106-V138 HydrophobicContact CG2-CG2 3.98Å; I106-V141 HydrophobicContact CB-CB 4.29Å; I106-V141 HydrophobicContact CB-CG1 4.2Å; I106-V141 HydrophobicContact CB-CG2 4.18Å; I106-V141 HydrophobicContact CD1-CG2 4.1Å; I106-V141 HydrophobicContact CG2-CB 3.64Å; I106-V141 HydrophobicContact CG2-CG1 3.69Å; I106-V141 HydrophobicContact CG2-CG2 4.02Å
107R97.1Very high96.2Very high135 Ų13563.4 Ų63.451%0.50933%0.327SS..Hα-helixtrans-61.6-47-178-176175.5179.2-175.9-1.8111.1T103 L104 T109 H110 E111 V141T103-R107 WeakPolarHBondContact O-CB 3.44Å; T103-R107 PolarHBondContact O-N 2.9Å; L104-R107 PolarHBondContact O-N 3.04Å; R107-T109 PolarHBondContact O-N 3.4Å; R107-H110 PolarHBondContact O-N 2.91Å; R107-E111 HydrophobicContact CG-CG 4.32Å; R107-E111 WeakPolarHBondContact CG-OE1 3.5Å; R107-E111 IonicContact CZ-OE1 2.64Å; R107-E111 IonicContact NE-OE1 2.79Å; R107-E111 PolarHBondContact NE-OE1 2.95Å; R107-E111 IonicContact NE-OE2 3.96Å; R107-E111 IonicContact NH2-OE1 2.86Å; R107-E111 PolarHBondContact NH2-OE1 3.41Å; R107-E111 WeakPolarHBondContact O-CB 3.47Å; R107-E111 WeakPolarHBondContact O-CG 3.37Å; R107-E111 PolarHBondContact O-N 3.27Å; R107-V141 HydrophobicContact CB-CG1 3.88Å
108G96.3Very high96.4Very high37 Ų3764.5 Ų64.538%0.38133%0.332SS..Hα-helixtrans-60.1-44.2176.600000112.1L104 H112L104-G108 PolarHBondContact O-N 3.46Å; G108-H112 WeakPolarHBondContact O-CB 3.28Å; G108-H112 PolarHBondContact O-N 3.19Å
109T96.6Very high96.7Very high20 Ų2058.4 Ų58.412%0.12331%0.313CS..Hα-helixtrans-62.5-45.7176.2-54.80000111.4F105 I106 R107 H113 L124 T125F105-T109 WeakPolarHBondContact O-CB 3.32Å; F105-T109 PolarHBondContact O-N 3.36Å; F105-T109 PolarHBondContact O-OG1 3.25Å; I106-T109 PolarHBondContact O-N 3.03Å; R107-T109 PolarHBondContact O-N 3.4Å; T109-H113 WeakPolarHBondContact O-CB 3.26Å; T109-H113 PolarHBondContact O-N 3.04Å; T109-H113 VanDerWaalsContact O-N 3.1Å; T109-H113 PolarHBondContact O-ND1 3.47Å; T109-L124 HydrophobicContact CG2-CB 3.49Å; T109-L124 VanDerWaalsContact CG2-CB 3.49Å; T109-L124 HydrophobicContact CG2-CD1 4.37Å; T109-T125 PolarHBondContact OG1-OG1 2.9Å
110H97.9Very high96.7Very high2 Ų258.9 Ų58.91%0.00932%0.321CS..Hα-helixtrans-62.7-47.7-179.6174.963.3000112.4I106 R107 H115 A116 T121 C148I106-H110 VanDerWaalsContact O-CB 3.24Å; I106-H110 WeakPolarHBondContact O-CB 3.26Å; I106-H110 PolarHBondContact O-N 2.98Å; R107-H110 PolarHBondContact O-N 2.91Å; H110-H115 AromaticContact CD2-ND1 3.63Å; H110-H115 VanDerWaalsContact CE1-C 3.41Å; H110-H115 WeakPolarHBondContact CE1-CA 3.47Å; H110-H115 AromaticContact CE1-ND1 3.78Å; H110-H115 AromaticContact NE2-CG 3.85Å; H110-H115 AromaticContact NE2-ND1 3.04Å; H110-H115 PolarHBondContact NE2-ND1 3.24Å; H110-H115 VanDerWaalsContact O-CA 3.31Å; H110-H115 WeakPolarHBondContact O-CA 3.17Å; H110-H115 PolarHBondContact O-N 3.28Å; H110-A116 PolarHBondContact CE1-O 3.11Å; H110-A116 PolarHBondContact ND1-O 2.7Å; H110-T121 HydrophobicContact CB-CG2 3.88Å; H110-C148 PolarHBondContact CE1-SG 3Å; H110-C148 PolarHBondContact NE2-SG 2.97Å
111E97.7Very high96.8Very high81 Ų8155.7 Ų55.738%0.37929%0.294SS..Hα-helixtrans-69.7-42.2179.3-70.3174.7175.300111.3R107 H113 L114R107-E111 HydrophobicContact CG-CG 4.32Å; R107-E111 WeakPolarHBondContact CG-OE1 3.5Å; R107-E111 IonicContact CZ-OE1 2.64Å; R107-E111 IonicContact NE-OE1 2.79Å; R107-E111 PolarHBondContact NE-OE1 2.95Å; R107-E111 IonicContact NE-OE2 3.96Å; R107-E111 IonicContact NH2-OE1 2.86Å; R107-E111 PolarHBondContact NH2-OE1 3.41Å; R107-E111 WeakPolarHBondContact O-CB 3.47Å; R107-E111 WeakPolarHBondContact O-CG 3.37Å; R107-E111 PolarHBondContact O-N 3.27Å; E111-H113 VanDerWaalsContact C-N 3.25Å; E111-H113 PolarHBondContact O-N 3.38Å; E111-L114 PolarHBondContact O-N 3.11Å
112H97Very high96.9Very high147 Ų14755.9 Ų55.968%0.68130%0.295SS*.Hα-helixtrans-60.9-34177.4-177.6-82.7000112.7G108 L114G108-H112 WeakPolarHBondContact O-CB 3.28Å; G108-H112 PolarHBondContact O-N 3.19Å; H112-L114 VanDerWaalsContact C-N 3.32Å; H112-L114 PolarHBondContact O-N 3.4Å
113H97.3Very high96.8Very high77 Ų7762 Ų6236%0.35633%0.327SS..THydrogen-bonded Turntrans-98.337.4178.8-61.784.3000112.3T109 E111 H115 A116 L124T109-H113 WeakPolarHBondContact O-CB 3.26Å; T109-H113 PolarHBondContact O-N 3.04Å; T109-H113 VanDerWaalsContact O-N 3.1Å; T109-H113 PolarHBondContact O-ND1 3.47Å; E111-H113 VanDerWaalsContact C-N 3.25Å; E111-H113 PolarHBondContact O-N 3.38Å; H113-H115 PolarHBondContact O-N 2.95Å; H113-A116 HydrophobicContact CB-CB 3.98Å; H113-A116 WeakPolarHBondContact O-CB 3.16Å; H113-A116 PolarHBondContact O-N 2.88Å; H113-A116 VanDerWaalsContact O-N 3.13Å; H113-L124 HydrophobicContact CB-CD1 4.05Å
114L97.1Very high96.7Very high157 Ų15763.3 Ų63.382%0.82233%0.333SS*.THydrogen-bonded Turntrans54.547.3170.8-55.5176.9000113.4E111 H112 A116E111-L114 PolarHBondContact O-N 3.11Å; H112-L114 VanDerWaalsContact C-N 3.32Å; H112-L114 PolarHBondContact O-N 3.4Å; L114-A116 VanDerWaalsContact C-N 3.34Å; L114-A116 PolarHBondContact O-N 2.69Å
115H96.7Very high96.7Very high54 Ų5458.1 Ų58.125%0.2531%0.306CS..THydrogen-bonded Turntrans59.940.9-179.1-63-77.7000114H110 H113 C145 I147H110-H115 AromaticContact CD2-ND1 3.63Å; H110-H115 VanDerWaalsContact CE1-C 3.41Å; H110-H115 WeakPolarHBondContact CE1-CA 3.47Å; H110-H115 AromaticContact CE1-ND1 3.78Å; H110-H115 AromaticContact NE2-CG 3.85Å; H110-H115 AromaticContact NE2-ND1 3.04Å; H110-H115 PolarHBondContact NE2-ND1 3.24Å; H110-H115 VanDerWaalsContact O-CA 3.31Å; H110-H115 WeakPolarHBondContact O-CA 3.17Å; H110-H115 PolarHBondContact O-N 3.28Å; H113-H115 PolarHBondContact O-N 2.95Å; H115-C145 PolarHBondContact CE1-SG 3.2Å; H115-C145 PolarHBondContact ND1-SG 2.9Å; H115-C145 VanDerWaalsContact ND1-SG 3.36Å; H115-I147 WeakPolarHBondContact NE2-CD1 3.19Å
116A95.5Very high96.5Very high17 Ų1757.8 Ų57.814%0.1431%0.308CS..  trans-48.2148.6176.200000112.7H110 H113 L114 T120 T121H110-A116 PolarHBondContact CE1-O 3.11Å; H110-A116 PolarHBondContact ND1-O 2.7Å; H113-A116 HydrophobicContact CB-CB 3.98Å; H113-A116 WeakPolarHBondContact O-CB 3.16Å; H113-A116 PolarHBondContact O-N 2.88Å; H113-A116 VanDerWaalsContact O-N 3.13Å; L114-A116 VanDerWaalsContact C-N 3.34Å; L114-A116 PolarHBondContact O-N 2.69Å; A116-T120 HydrophobicContact CB-CG2 3.94Å; A116-T121 PolarHBondContact O-OG1 3.43Å
117G95.4Very high96.1Very high39 Ų3959.3 Ų59.340%0.40232%0.324SS..  trans-60.7174.7178.900000113.5E119 T121G117-E119 PolarHBondContact O-N 3.36Å; G117-T121 VanDerWaalsContact O-CB 3.31Å; G117-T121 WeakPolarHBondContact O-CB 3.3Å; G117-T121 PolarHBondContact O-N 3.5Å; G117-T121 PolarHBondContact O-OG1 3.26Å
118L97.1Very high95.8Very high32 Ų3256.2 Ų56.217%0.16832%0.32CS..Hα-helixtrans-58.9-51.1-176.5-177158.8000112.6L122 R135 V138 R139 I142L118-L122 VanDerWaalsContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 PolarHBondContact O-N 2.96Å; L118-R135 HydrophobicContact CD2-CG 4.01Å; L118-V138 HydrophobicContact CG-CG1 4.26Å; L118-R139 HydrophobicContact CD1-CB 3.76Å; L118-R139 HydrophobicContact CD1-CG 3.91Å; L118-I142 HydrophobicContact CB-CD1 4.29Å
119E97.5Very high95.7Very high88 Ų8854.5 Ų54.541%0.41130%0.302SS..Hα-helixtrans-66.3-44.4-177.4-57.9-58.2158.300111.6G117 T121 L122 L123 R135G117-E119 PolarHBondContact O-N 3.36Å; E119-T121 PolarHBondContact O-N 2.95Å; E119-L122 WeakPolarHBondContact O-CB 3.37Å; E119-L122 PolarHBondContact O-N 2.88Å; E119-L123 WeakPolarHBondContact O-CG 3.38Å; E119-L123 PolarHBondContact O-N 2.95Å; E119-R135 VanDerWaalsContact CD-NH1 3.31Å; E119-R135 IonicContact OE1-CZ 3.16Å; E119-R135 IonicContact OE1-NH1 2.74Å; E119-R135 PolarHBondContact OE1-NH1 2.75Å; E119-R135 IonicContact OE1-NH2 3.14Å; E119-R135 PolarHBondContact OE1-NH2 3.49Å; E119-R135 IonicContact OE2-NH1 2.76Å; E119-R135 PolarHBondContact OE2-NH1 3.26Å; E119-R135 VanDerWaalsContact OE2-NH1 3.11Å
120T97.4Very high95.7Very high75 Ų7557.8 Ų57.846%0.4631%0.312SS..Hα-helixtrans-61.6-47.4178.6-47.90000111.2A116 L122 L123 L124A116-T120 HydrophobicContact CB-CG2 3.94Å; T120-L122 VanDerWaalsContact C-N 3.32Å; T120-L122 PolarHBondContact O-N 3.01Å; T120-L123 PolarHBondContact O-N 3.43Å; T120-L124 HydrophobicContact CG2-CD1 3.88Å; T120-L124 WeakPolarHBondContact O-CB 3.37Å; T120-L124 WeakPolarHBondContact O-CD1 3.34Å; T120-L124 VanDerWaalsContact O-CG 3.23Å; T120-L124 WeakPolarHBondContact O-CG 3.47Å; T120-L124 PolarHBondContact O-N 2.63Å
121T97.5Very high95.6Very high0 Ų058 Ų580%031%0.313CS..Hα-helixtrans-61-43.4176.9-56.80000110.7I106 H110 A116 G117 E119 L123 L124 T125 V138 I142I106-T121 HydrophobicContact CG2-CG2 4.15Å; H110-T121 HydrophobicContact CB-CG2 3.88Å; A116-T121 PolarHBondContact O-OG1 3.43Å; G117-T121 VanDerWaalsContact O-CB 3.31Å; G117-T121 WeakPolarHBondContact O-CB 3.3Å; G117-T121 PolarHBondContact O-N 3.5Å; G117-T121 PolarHBondContact O-OG1 3.26Å; E119-T121 PolarHBondContact O-N 2.95Å; T121-L123 PolarHBondContact O-N 2.76Å; T121-L124 PolarHBondContact O-N 2.92Å; T121-T125 WeakPolarHBondContact O-CB 3.46Å; T121-T125 PolarHBondContact O-N 3.26Å; T121-T125 PolarHBondContact O-OG1 3.39Å; T121-V138 HydrophobicContact CG2-CG1 3.94Å; T121-I142 HydrophobicContact CG2-CD1 4.49Å
122L97.4Very high95.5Very high28 Ų2854.7 Ų54.715%0.14730%0.298CS..Hα-helixtrans-58.3-50.2177.8177.564.4000111.8L118 E119 T120 T125 C126 R135 V138L118-L122 VanDerWaalsContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 PolarHBondContact O-N 2.96Å; E119-L122 WeakPolarHBondContact O-CB 3.37Å; E119-L122 PolarHBondContact O-N 2.88Å; T120-L122 VanDerWaalsContact C-N 3.32Å; T120-L122 PolarHBondContact O-N 3.01Å; L122-T125 PolarHBondContact O-N 3.42Å; L122-C126 WeakPolarHBondContact O-CB 3.49Å; L122-C126 PolarHBondContact O-N 3.47Å; L122-C126 PolarHBondContact O-SG 2.93Å; L122-R135 HydrophobicContact CD2-CB 4.1Å; L122-R135 HydrophobicContact CD2-CG 4.37Å; L122-V138 HydrophobicContact CB-CG2 4.32Å; L122-V138 HydrophobicContact CD1-CG2 4.04Å
123L95.2Very high95.3Very high128 Ų12851.2 Ų51.267%0.6729%0.285SS*.Hα-helixtrans-62-44.9-179.9-69.7171.7000112.1E119 T120 T121 C126 G127E119-L123 WeakPolarHBondContact O-CG 3.38Å; E119-L123 PolarHBondContact O-N 2.95Å; T120-L123 PolarHBondContact O-N 3.43Å; T121-L123 PolarHBondContact O-N 2.76Å; L123-C126 PolarHBondContact O-N 3.3Å; L123-G127 PolarHBondContact O-N 2.83Å
124L95.2Very high95.2Very high63 Ų6348 Ų4833%0.3327%0.273SS..Hα-helixtrans-65-42178.6-68.9168.1000111.8T109 H113 T120 T121 G127T109-L124 HydrophobicContact CG2-CB 3.49Å; T109-L124 VanDerWaalsContact CG2-CB 3.49Å; T109-L124 HydrophobicContact CG2-CD1 4.37Å; H113-L124 HydrophobicContact CB-CD1 4.05Å; T120-L124 HydrophobicContact CG2-CD1 3.88Å; T120-L124 WeakPolarHBondContact O-CB 3.37Å; T120-L124 WeakPolarHBondContact O-CD1 3.34Å; T120-L124 VanDerWaalsContact O-CG 3.23Å; T120-L124 WeakPolarHBondContact O-CG 3.47Å; T120-L124 PolarHBondContact O-N 2.63Å; T121-L124 PolarHBondContact O-N 2.92Å; L124-G127 PolarHBondContact O-N 2.88Å
125T95Very high95.2Very high3 Ų346.9 Ų46.92%0.01826%0.257CS..Hα-helixtrans-63.9-43.6175.1-58.70000110.7I106 T109 T121 L122 G127 T128 A129 I131I106-T125 HydrophobicContact CG1-CG2 4.17Å; T109-T125 PolarHBondContact OG1-OG1 2.9Å; T121-T125 WeakPolarHBondContact O-CB 3.46Å; T121-T125 PolarHBondContact O-N 3.26Å; T121-T125 PolarHBondContact O-OG1 3.39Å; L122-T125 PolarHBondContact O-N 3.42Å; T125-G127 PolarHBondContact O-N 3.28Å; T125-T128 PolarHBondContact O-N 3.47Å; T125-T128 PolarHBondContact O-OG1 3.33Å; T125-A129 CarbonylContact C-O 3.38Å; T125-A129 PolarHBondContact O-N 3.19Å; T125-I131 HydrophobicContact CG2-CD1 3.61Å; T125-I131 HydrophobicContact CG2-CG1 4.36Å
126C92.2Very high95.2Very high30 Ų3050.9 Ų50.920%0.20328%0.276CS..Hα-helixtrans-59.5-26.8177-74.20000113.8P92 L122 L123 T128 A129 W130P92-C126 WeakPolarHBondContact CB-O 3.24Å; L122-C126 WeakPolarHBondContact O-CB 3.49Å; L122-C126 PolarHBondContact O-N 3.47Å; L122-C126 PolarHBondContact O-SG 2.93Å; L123-C126 PolarHBondContact O-N 3.3Å; C126-T128 PolarHBondContact O-N 2.85Å; C126-A129 WeakPolarHBondContact CA-O 3.41Å; C126-W130 HydrophobicContact CB-CE3 4.33Å; C126-W130 HydrophobicContact CB-CZ3 4.42Å
127G89.5Confident95.3Very high33 Ų3350.1 Ų50.134%0.3427%0.27SS..THydrogen-bonded Turntrans-70-11.2173.100000114.5L123 L124 T125L123-G127 PolarHBondContact O-N 2.83Å; L124-G127 PolarHBondContact O-N 2.88Å; T125-G127 PolarHBondContact O-N 3.28Å
128T89.9Confident95.4Very high70 Ų7048.3 Ų48.343%0.42925%0.251SS..THydrogen-bonded Turntrans-121.5-38.1-178.660.60000113.5P93 T125 C126P93-T128 VanDerWaalsContact CD-O 3.23Å; P93-T128 WeakPolarHBondContact CD-O 3.39Å; T125-T128 PolarHBondContact O-N 3.47Å; T125-T128 PolarHBondContact O-OG1 3.33Å; C126-T128 PolarHBondContact O-N 2.85Å
129A94Very high95.4Very high0 Ų055.2 Ų55.20%028%0.275CS..  trans-152.9140.6178.400000110.3P93 L95 T125 C126P93-A129 HydrophobicContact CG-CB 4.37Å; P93-A129 CarbonylContact O-C 3.52Å; P93-A129 WeakPolarHBondContact O-CA 3.06Å; L95-A129 HydrophobicContact CD1-CB 3.94Å; T125-A129 CarbonylContact C-O 3.38Å; T125-A129 PolarHBondContact O-N 3.19Å; C126-A129 WeakPolarHBondContact CA-O 3.41Å
130W96.2Very high95.4Very high90 Ų9055.2 Ų55.234%0.34127%0.271SS..EExtended strand (participates in β ladder)trans-94.4108.5177.2-171.2-91000110.6L64 V76 P92 P93 I94 L95 C126L64-W130 HydrophobicContact CD2-CZ2 4.15Å; V76-W130 HydrophobicContact CG2-CB 3.5Å; V76-W130 VanDerWaalsContact CG2-CB 3.5Å; V76-W130 HydrophobicContact CG2-CD2 3.91Å; V76-W130 HydrophobicContact CG2-CG 3.4Å; V76-W130 VanDerWaalsContact CG2-CG 3.4Å; P92-W130 HydrophobicContact CB-CB 4.1Å; P92-W130 HydrophobicContact CG-CB 3.92Å; P92-W130 HydrophobicContact CG-CE3 4.19Å; P93-W130 PolarHBondContact O-N 2.69Å; I94-W130 CarbonylContact C-O 3.41Å; I94-W130 WeakPolarHBondContact CA-O 3.46Å; L95-W130 PolarHBondContact N-O 3.3Å; C126-W130 HydrophobicContact CB-CE3 4.33Å; C126-W130 HydrophobicContact CB-CZ3 4.42Å
131I96.6Very high95.4Very high7 Ų751.9 Ų51.94%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-91.7123.6-179.9-57.9173.3000108.5L95 A102 I106 T125 D133 G134 A137L95-I131 HydrophobicContact CB-CG1 4.36Å; L95-I131 WeakPolarHBondContact O-CA 3.38Å; A102-I131 HydrophobicContact CB-CD1 4.11Å; A102-I131 HydrophobicContact CB-CG1 4.33Å; A102-I131 HydrophobicContact CB-CG2 4.23Å; I106-I131 HydrophobicContact CD1-CD1 3.49Å; I106-I131 VanDerWaalsContact CD1-CD1 3.49Å; I106-I131 HydrophobicContact CG1-CD1 3.37Å; T125-I131 HydrophobicContact CG2-CD1 3.61Å; T125-I131 HydrophobicContact CG2-CG1 4.36Å; I131-D133 PolarHBondContact O-N 3.07Å; I131-G134 WeakPolarHBondContact O-CA 3.24Å; I131-G134 PolarHBondContact O-N 3.1Å; I131-A137 HydrophobicContact CG2-CB 3.91Å
132I94.9Very high95.4Very high11 Ų1152 Ų526%0.05625%0.251CS..THydrogen-bonded Turntrans-57.6136.1173.8-55173.8000108.3F42 R60 L61 I94 L95 S97 G134F42-I132 HydrophobicContact CE1-CD1 3.9Å; F42-I132 HydrophobicContact CZ-CD1 3.54Å; R60-I132 VanDerWaalsContact NH2-CG2 3.27Å; L61-I132 HydrophobicContact CD2-CD1 3.56Å; L61-I132 HydrophobicContact CD2-CG1 4.18Å; I94-I132 HydrophobicContact CG2-CD1 4.2Å; I94-I132 HydrophobicContact CG2-CG1 3.89Å; L95-I132 PolarHBondContact O-N 3.29Å; S97-I132 WeakPolarHBondContact CB-O 3.48Å; I132-G134 PolarHBondContact O-N 3.39Å
133D94.1Very high95.3Very high74 Ų7452.2 Ų52.240%0.39626%0.26SS..THydrogen-bonded Turntrans49.835.8-169.8-50.9-26000113.8R60 I131 R135 Q136 A137R60-D133 IonicContact CZ-OD2 2.65Å; R60-D133 IonicContact NH2-OD1 3.36Å; R60-D133 PolarHBondContact NH2-OD1 2.99Å; R60-D133 IonicContact NH2-OD2 3.24Å; R60-D133 PolarHBondContact NH2-OD2 2.98Å; I131-D133 PolarHBondContact O-N 3.07Å; D133-R135 PolarHBondContact O-N 3.22Å; D133-Q136 HydrophobicContact CB-CB 4.4Å; D133-Q136 WeakPolarHBondContact O-CB 3.23Å; D133-Q136 PolarHBondContact O-N 3.5Å; D133-A137 PolarHBondContact O-N 3.34Å
134G94.3Very high95.4Very high10 Ų1051.9 Ų51.910%0.10326%0.255CS..Hα-helixtrans-49.5-40.6-169.500000114.1I131 I132 Q136 A137 V138I131-G134 WeakPolarHBondContact O-CA 3.24Å; I131-G134 PolarHBondContact O-N 3.1Å; I132-G134 PolarHBondContact O-N 3.39Å; G134-Q136 VanDerWaalsContact C-N 3.32Å; G134-Q136 PolarHBondContact O-N 2.82Å; G134-A137 PolarHBondContact O-N 3.02Å; G134-A137 VanDerWaalsContact O-N 3.17Å; G134-V138 WeakPolarHBondContact O-CB 3.42Å; G134-V138 VanDerWaalsContact O-CG2 3.25Å; G134-V138 WeakPolarHBondContact O-CG2 3.43Å; G134-V138 PolarHBondContact O-N 3.3Å
135R96.8Very high95.5Very high133 Ų13349.6 Ų49.650%0.50224%0.244SC..Hα-helixtrans-55.8-43.7176.6-169.3-175.2-177.789.46.9112.8L118 E119 L122 D133 R139L118-R135 HydrophobicContact CD2-CG 4.01Å; E119-R135 VanDerWaalsContact CD-NH1 3.31Å; E119-R135 IonicContact OE1-CZ 3.16Å; E119-R135 IonicContact OE1-NH1 2.74Å; E119-R135 PolarHBondContact OE1-NH1 2.75Å; E119-R135 IonicContact OE1-NH2 3.14Å; E119-R135 PolarHBondContact OE1-NH2 3.49Å; E119-R135 IonicContact OE2-NH1 2.76Å; E119-R135 PolarHBondContact OE2-NH1 3.26Å; E119-R135 VanDerWaalsContact OE2-NH1 3.11Å; L122-R135 HydrophobicContact CD2-CB 4.1Å; L122-R135 HydrophobicContact CD2-CG 4.37Å; D133-R135 PolarHBondContact O-N 3.22Å; R135-R139 WeakPolarHBondContact O-CB 3.48Å; R135-R139 PolarHBondContact O-N 3.22Å
136Q97.4Very high95.6Very high138 Ų13854.6 Ų54.665%0.64527%0.274SS*.Hα-helixtrans-71-40.9178.9-63.4-175.449.400111D133 G134 R139 R140D133-Q136 HydrophobicContact CB-CB 4.4Å; D133-Q136 WeakPolarHBondContact O-CB 3.23Å; D133-Q136 PolarHBondContact O-N 3.5Å; G134-Q136 VanDerWaalsContact C-N 3.32Å; G134-Q136 PolarHBondContact O-N 2.82Å; Q136-R139 PolarHBondContact O-N 2.99Å; Q136-R140 WeakPolarHBondContact O-CB 3.32Å; Q136-R140 PolarHBondContact O-N 2.92Å
137A97.2Very high95.8Very high1 Ų157 Ų571%0.00828%0.284CS..Hα-helixtrans-61.4-46.5175.700000111.3I106 I131 D133 G134 R140 V141I106-A137 HydrophobicContact CD1-CB 3.68Å; I131-A137 HydrophobicContact CG2-CB 3.91Å; D133-A137 PolarHBondContact O-N 3.34Å; G134-A137 PolarHBondContact O-N 3.02Å; G134-A137 VanDerWaalsContact O-N 3.17Å; A137-R140 WeakPolarHBondContact O-CB 3.31Å; A137-R140 PolarHBondContact O-N 2.82Å; A137-V141 WeakPolarHBondContact O-CG2 3.31Å; A137-V141 PolarHBondContact O-N 3.1Å
138V97.9Very high96.2Very high1 Ų155.9 Ų55.91%0.00627%0.271CS..Hα-helixtrans-61.8-46.7177174.10000111.1I106 L118 T121 L122 G134 R140 V141 I142I106-V138 HydrophobicContact CD1-CG2 4.01Å; I106-V138 HydrophobicContact CG1-CG2 4Å; I106-V138 HydrophobicContact CG2-CB 4.33Å; I106-V138 HydrophobicContact CG2-CG1 4.4Å; I106-V138 HydrophobicContact CG2-CG2 3.98Å; L118-V138 HydrophobicContact CG-CG1 4.26Å; T121-V138 HydrophobicContact CG2-CG1 3.94Å; L122-V138 HydrophobicContact CB-CG2 4.32Å; L122-V138 HydrophobicContact CD1-CG2 4.04Å; G134-V138 WeakPolarHBondContact O-CB 3.42Å; G134-V138 VanDerWaalsContact O-CG2 3.25Å; G134-V138 WeakPolarHBondContact O-CG2 3.43Å; G134-V138 PolarHBondContact O-N 3.3Å; V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.2Å; V138-V141 PolarHBondContact O-N 2.89Å; V138-I142 HydrophobicContact CG1-CD1 3.59Å; V138-I142 HydrophobicContact CG1-CG1 4.2Å; V138-I142 WeakPolarHBondContact O-CB 3.46Å; V138-I142 WeakPolarHBondContact O-CG1 3.5Å; V138-I142 PolarHBondContact O-N 2.85Å
139R97.7Very high96.4Very high177 Ų17757.4 Ų57.467%0.66827%0.273SS*.Hα-helixtrans-56.6-43.2175.9-169.4178.3-178108.5-2.8111.8L118 R135 Q136 G143L118-R139 HydrophobicContact CD1-CB 3.76Å; L118-R139 HydrophobicContact CD1-CG 3.91Å; R135-R139 WeakPolarHBondContact O-CB 3.48Å; R135-R139 PolarHBondContact O-N 3.22Å; Q136-R139 PolarHBondContact O-N 2.99Å; R139-G143 PolarHBondContact O-N 3.04Å
140R97.4Very high96.5Very high87 Ų8767 Ų6733%0.32831%0.31SS..Hα-helixtrans-62.8-49.5178-176.5-177.366.8-154-5.4111.5S97 Q136 A137 V138 G143 Q144S97-R140 PolarHBondContact O-NH2 3.36Å; Q136-R140 WeakPolarHBondContact O-CB 3.32Å; Q136-R140 PolarHBondContact O-N 2.92Å; A137-R140 WeakPolarHBondContact O-CB 3.31Å; A137-R140 PolarHBondContact O-N 2.82Å; V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.2Å; R140-G143 PolarHBondContact O-N 3.21Å; R140-Q144 WeakPolarHBondContact O-CG 3.36Å; R140-Q144 PolarHBondContact O-N 2.73Å; R140-Q144 VanDerWaalsContact O-N 3.1Å
141V97.2Very high96.4Very high6 Ų672.2 Ų72.24%0.03633%0.331CS..Hα-helixtrans-66-45.1-177.6175.70000111.6T103 I106 R107 A137 V138 G143 Q144 C145T103-V141 HydrophobicContact CG2-CG2 3.92Å; I106-V141 HydrophobicContact CB-CB 4.29Å; I106-V141 HydrophobicContact CB-CG1 4.2Å; I106-V141 HydrophobicContact CB-CG2 4.18Å; I106-V141 HydrophobicContact CD1-CG2 4.1Å; I106-V141 HydrophobicContact CG2-CB 3.64Å; I106-V141 HydrophobicContact CG2-CG1 3.69Å; I106-V141 HydrophobicContact CG2-CG2 4.02Å; R107-V141 HydrophobicContact CB-CG1 3.88Å; A137-V141 WeakPolarHBondContact O-CG2 3.31Å; A137-V141 PolarHBondContact O-N 3.1Å; V138-V141 PolarHBondContact O-N 2.89Å; V141-G143 VanDerWaalsContact C-N 3.26Å; V141-G143 PolarHBondContact O-N 3.3Å; V141-Q144 PolarHBondContact O-N 3.44Å; V141-C145 PolarHBondContact O-N 2.91Å
142I97.1Very high96.2Very high2 Ų279 Ų791%0.0136%0.356CS..Hα-helixtrans-63.4-36.9174.7-64.5176.4000110.5L118 T121 V138 Q144 C145 C148 R152L118-I142 HydrophobicContact CB-CD1 4.29Å; T121-I142 HydrophobicContact CG2-CD1 4.49Å; V138-I142 HydrophobicContact CG1-CD1 3.59Å; V138-I142 HydrophobicContact CG1-CG1 4.2Å; V138-I142 WeakPolarHBondContact O-CB 3.46Å; V138-I142 WeakPolarHBondContact O-CG1 3.5Å; V138-I142 PolarHBondContact O-N 2.85Å; I142-Q144 PolarHBondContact O-N 3.2Å; I142-C145 WeakPolarHBondContact O-CB 3.05Å; I142-C145 PolarHBondContact O-N 3.13Å; I142-C145 VanDerWaalsContact O-N 3.1Å; I142-C148 HydrophobicContact CG2-CB 4.35Å; I142-R152 VanDerWaalsContact CG2-NH2 3.31Å
143G96.2Very high96Very high32 Ų3282.2 Ų82.233%0.3338%0.379SS..Hα-helixtrans-62.3-24.2174.500000113.8R139 R140 V141 Q149R139-G143 PolarHBondContact O-N 3.04Å; R140-G143 PolarHBondContact O-N 3.21Å; V141-G143 VanDerWaalsContact C-N 3.26Å; V141-G143 PolarHBondContact O-N 3.3Å; G143-Q149 PolarHBondContact O-NE2 3.1Å
144Q96.2Very high95.9Very high122 Ų12287 Ų8757%0.5740%0.4SS*.THydrogen-bonded Turntrans-92.7-6.6175.4-68.9172.1-23.900113.1R140 V141 I142 V146R140-Q144 WeakPolarHBondContact O-CG 3.36Å; R140-Q144 PolarHBondContact O-N 2.73Å; R140-Q144 VanDerWaalsContact O-N 3.1Å; V141-Q144 PolarHBondContact O-N 3.44Å; I142-Q144 PolarHBondContact O-N 3.2Å; Q144-V146 PolarHBondContact O-N 3.44Å
145C97.5Very high95.6Very high14 Ų1490.4 Ų90.410%0.09543%0.426CS..  trans-74.4112.8179.2-1790000110.5H115 V141 I142 I147 C148 Q149H115-C145 PolarHBondContact CE1-SG 3.2Å; H115-C145 PolarHBondContact ND1-SG 2.9Å; H115-C145 VanDerWaalsContact ND1-SG 3.36Å; V141-C145 PolarHBondContact O-N 2.91Å; I142-C145 WeakPolarHBondContact O-CB 3.05Å; I142-C145 PolarHBondContact O-N 3.13Å; I142-C145 VanDerWaalsContact O-N 3.1Å; C145-I147 VanDerWaalsContact C-N 3.27Å; C145-I147 PolarHBondContact O-N 3.3Å; C145-C148 HydrophobicContact CB-CB 4.03Å; C145-C148 PolarHBondContact O-N 3.46Å; C145-Q149 WeakPolarHBondContact O-CG 3.46Å; C145-Q149 PolarHBondContact O-N 3.36Å
146V96.6Very high95.1Very high109 Ų10990.1 Ų90.166%0.66144%0.441SS*.Hα-helixtrans-57.6-39.5-179.5179.40000112Q144 Q149 R150Q144-V146 PolarHBondContact O-N 3.44Å; V146-Q149 PolarHBondContact O-N 3.48Å; V146-R150 WeakPolarHBondContact O-CB 3.14Å; V146-R150 PolarHBondContact O-N 3.46Å
147I97.2Very high94.8Very high79 Ų7989.5 Ų89.541%0.40545%0.448SS..Hα-helixtrans-63.8-49.5179.3-64.5170.1000109.9H115 C145 Q149 R150 Y151H115-I147 WeakPolarHBondContact NE2-CD1 3.19Å; C145-I147 VanDerWaalsContact C-N 3.27Å; C145-I147 PolarHBondContact O-N 3.3Å; I147-Q149 PolarHBondContact O-N 2.95Å; I147-R150 PolarHBondContact O-N 2.82Å; I147-Y151 HydrophobicContact CG2-CD2 3.74Å; I147-Y151 HydrophobicContact CG2-CE2 3.49Å; I147-Y151 VanDerWaalsContact CG2-CE2 3.49Å; I147-Y151 WeakPolarHBondContact O-CD2 3.33Å; I147-Y151 PolarHBondContact O-N 3.25Å
148C96.9Very high94.5Very high11 Ų1195.6 Ų95.67%0.07448%0.484CS..Hα-helixtrans-64.2-37.8175.4-67.40000113.2H110 I142 C145 R150 Y151 R152H110-C148 PolarHBondContact CE1-SG 3Å; H110-C148 PolarHBondContact NE2-SG 2.97Å; I142-C148 HydrophobicContact CG2-CB 4.35Å; C145-C148 HydrophobicContact CB-CB 4.03Å; C145-C148 PolarHBondContact O-N 3.46Å; C148-R150 VanDerWaalsContact C-N 3.32Å; C148-Y151 PolarHBondContact O-N 3.23Å; C148-R152 VanDerWaalsContact O-CB 3.32Å; C148-R152 WeakPolarHBondContact O-CB 3.22Å; C148-R152 WeakPolarHBondContact O-CG 3.42Å; C148-R152 PolarHBondContact O-N 3.38Å
149Q96Very high94.1Very high101 Ų101101.4 Ų101.447%0.47252%0.522SS..Hα-helixtrans-60.2-44.2175.2-75.21800.900110.9G143 C145 V146 I147 R152 S153G143-Q149 PolarHBondContact O-NE2 3.1Å; C145-Q149 WeakPolarHBondContact O-CG 3.46Å; C145-Q149 PolarHBondContact O-N 3.36Å; V146-Q149 PolarHBondContact O-N 3.48Å; I147-Q149 PolarHBondContact O-N 2.95Å; Q149-R152 CarbonylContact O-C 3.58Å; Q149-R152 PolarHBondContact O-N 3.02Å; Q149-S153 WeakPolarHBondContact O-CB 3.32Å; Q149-S153 PolarHBondContact O-N 2.78Å
150R95.3Very high93.8Very high203 Ų203101.2 Ų101.277%0.76653%0.531SS*.Hα-helixtrans-64.1-41176.9-175.4-179.3179.9-177.20.6112.9V146 I147 C148 R152 S153V146-R150 WeakPolarHBondContact O-CB 3.14Å; V146-R150 PolarHBondContact O-N 3.46Å; I147-R150 PolarHBondContact O-N 2.82Å; C148-R150 VanDerWaalsContact C-N 3.32Å; R150-R152 VanDerWaalsContact C-N 3.29Å; R150-R152 PolarHBondContact O-N 3.27Å; R150-S153 PolarHBondContact O-OG 3.34Å
151Y93.3Very high93.6Very high198 Ų198100.9 Ų100.978%0.77655%0.546SS*.Hα-helixtrans-70.1-27.5175.5-76.8-65.5000113I147 C148I147-Y151 HydrophobicContact CG2-CD2 3.74Å; I147-Y151 HydrophobicContact CG2-CE2 3.49Å; I147-Y151 VanDerWaalsContact CG2-CE2 3.49Å; I147-Y151 WeakPolarHBondContact O-CD2 3.33Å; I147-Y151 PolarHBondContact O-N 3.25Å; C148-Y151 PolarHBondContact O-N 3.23Å
152R92.5Very high93.4Very high150 Ų150106.5 Ų106.557%0.56658%0.583SS**Hα-helixtrans-85.6-22.7177.2-71.6173.1-176.4-178.83.3113.4I142 C148 Q149 R150 Q154I142-R152 VanDerWaalsContact CG2-NH2 3.31Å; C148-R152 VanDerWaalsContact O-CB 3.32Å; C148-R152 WeakPolarHBondContact O-CB 3.22Å; C148-R152 WeakPolarHBondContact O-CG 3.42Å; C148-R152 PolarHBondContact O-N 3.38Å; Q149-R152 CarbonylContact O-C 3.58Å; Q149-R152 PolarHBondContact O-N 3.02Å; R150-R152 VanDerWaalsContact C-N 3.29Å; R150-R152 PolarHBondContact O-N 3.27Å; R152-Q154 PolarHBondContact O-N 2.92Å
153S92Very high93Very high78 Ų78111.7 Ų111.755%0.54561%0.61SS.*PPolyproline II helixtrans-63.6123.4-178.2590000109.6Q149 R150Q149-S153 WeakPolarHBondContact O-CB 3.32Å; Q149-S153 PolarHBondContact O-N 2.78Å; R150-S153 PolarHBondContact O-OG 3.34Å
154Q90.7Very high92.6Very high176 Ų176116.1 Ų116.182%0.82263%0.626SS**PPolyproline II helixtrans-85149.7171.4-63.9179.93.600108.9R152R152-Q154 PolarHBondContact O-N 2.92Å
155A88.3Confident92.2Very high80 Ų80117.8 Ų117.866%0.66163%0.633SS**PPolyproline II helixtrans-57.5140.5170.100000109.1T157A155-T157 PolarHBondContact O-N 3.13Å; A155-T157 VanDerWaalsContact O-N 3.13Å
156P87.7Confident91.5Very high127 Ų127118.8 Ų118.883%0.82564%0.64SS**PPolyproline II helixtrans-58.7122.5174.125.2-32.7000108.4
157T90.4Very high90.8Very high126 Ų126122.7 Ų122.777%0.77364%0.643SS**PPolyproline II helixtrans-84.3128.3173.350.30000107.9A155A155-T157 PolarHBondContact O-N 3.13Å; A155-T157 VanDerWaalsContact O-N 3.13Å
158V89.8Confident90.3Very high128 Ų128123.4 Ų123.478%0.77665%0.651SS**PPolyproline II helixtrans-69.7132.6170.6-69.30000108.2M160V158-M160 PolarHBondContact O-N 3.38Å
159P90.3Very high89.9Confident124 Ų124127.6 Ų127.681%0.80567%0.673SS**PPolyproline II helixtrans-59.6128.6171.725.5-32.1000108.1
160M91.9Very high89.3Confident173 Ų173133.3 Ų133.385%0.85269%0.69SS**PPolyproline II helixtrans-63.5139176.7-68-178.368.900109.3V158V158-M160 PolarHBondContact O-N 3.38Å
161A92.3Very high89Confident79 Ų79124.3 Ų124.365%0.65366%0.658SS**PPolyproline II helixtrans-55.5146.5173.200000110.3L163A161-L163 PolarHBondContact O-N 3.24Å
162P93.6Very high88.7Confident124 Ų124120.9 Ų120.981%0.80566%0.66SS**PPolyproline II helixtrans-55.2138.3173.525-33.7000109.4L164P162-L164 PolarHBondContact O-N 2.84Å
163L89Confident88.7Confident111 Ų111120.2 Ų120.258%0.58167%0.665SS**PPolyproline II helixtrans-63.4137.4175.6-62.1174.1000108.9A161 R167 V168A161-L163 PolarHBondContact O-N 3.24Å; L163-R167 HydrophobicContact CB-CB 4.4Å; L163-V168 HydrophobicContact CB-CG2 3.76Å; L163-V168 HydrophobicContact CD1-CG2 4.32Å
164L86.9Confident88.6Confident126 Ų126121.6 Ų121.666%0.6667%0.665SS**PPolyproline II helixtrans-55147172.7-69.3162.8000110.4P162 C166 R167P162-L164 PolarHBondContact O-N 2.84Å; L164-C166 PolarHBondContact O-N 3.11Å; L164-C166 VanDerWaalsContact O-N 3.11Å; L164-R167 WeakPolarHBondContact O-CB 3.47Å; L164-R167 PolarHBondContact O-N 3.13Å
165E87.6Confident88.6Confident156 Ų156117.4 Ų117.473%0.72965%0.645SS**Hα-helixtrans-53-37.8-178.7-67.2-178.117600112.8R167 V168 N169E165-R167 PolarHBondContact O-N 3.03Å; E165-R167 VanDerWaalsContact O-N 3.13Å; E165-V168 PolarHBondContact O-N 2.88Å; E165-N169 WeakPolarHBondContact O-CB 3.49Å; E165-N169 PolarHBondContact O-N 3.48Å
166C83.1Confident88.8Confident35 Ų35116.9 Ų116.924%0.23663%0.633CS.*Hα-helixtrans-64.7-14.5178.565.20000114.7L164 H177L164-C166 PolarHBondContact O-N 3.11Å; L164-C166 VanDerWaalsContact O-N 3.11Å; C166-H177 HydrophobicContact CB-CB 4.06Å; C166-H177 VanDerWaalsContact CB-CD2 3.49Å; C166-H177 WeakPolarHBondContact CB-CD2 3.16Å
167R82.5Confident89Confident191 Ų191114 Ų11472%0.72161%0.609SS**Hα-helixtrans-92.9-19.2172.8-73.6-162.2179.3-143.52.8113.6L163 L164 E165L163-R167 HydrophobicContact CB-CB 4.4Å; L164-R167 WeakPolarHBondContact O-CB 3.47Å; L164-R167 PolarHBondContact O-N 3.13Å; E165-R167 PolarHBondContact O-N 3.03Å; E165-R167 VanDerWaalsContact O-N 3.13Å
168V87Confident89.1Confident95 Ų95110.9 Ų110.958%0.57659%0.589SS**Hα-helixtrans-105.1-43.2-174.2-177.70000110.7L163 E165L163-V168 HydrophobicContact CB-CG2 3.76Å; L163-V168 HydrophobicContact CD1-CG2 4.32Å; E165-V168 PolarHBondContact O-N 2.88Å
169N88Confident89.3Confident98 Ų98105.9 Ų105.952%0.52456%0.564SS.*SBendtrans-92.7132.2-176.4-63.2-32.4000110.4E165 P171E165-N169 WeakPolarHBondContact O-CB 3.49Å; E165-N169 PolarHBondContact O-N 3.48Å; N169-P171 WeakPolarHBondContact O-CD 3.46Å
170R84.3Confident89.5Confident222 Ų222105.6 Ų105.684%0.83856%0.555SS**PPolyproline II helixtrans-71.6122.8171.2-176.9174.4179.4159.5-0.1108.7
171P87.8Confident89.6Confident14 Ų14101.9 Ų101.99%0.09154%0.538CS..PPolyproline II helixtrans-69.1157176.928.1-33.6000111.3N169 M173 T176 A206N169-P171 WeakPolarHBondContact O-CD 3.46Å; P171-M173 VanDerWaalsContact C-N 3.29Å; P171-M173 PolarHBondContact O-N 3.39Å; P171-T176 HydrophobicContact CB-CG2 4.05Å; P171-A206 HydrophobicContact CG-CB 3.47Å; P171-A206 VanDerWaalsContact CG-CB 3.47Å
172P88.2Confident89.5Confident125 Ų125100 Ų10081%0.81252%0.52SS*.SBendtrans-67.6-28.9-178.227-34.6000113
173M91.1Very high89.3Confident137 Ų13798.6 Ų98.668%0.67550%0.501SS*.SBendtrans-127.7157.5-178-65.9-67.5-82.700111.4P171 T176P171-M173 VanDerWaalsContact C-N 3.29Å; P171-M173 PolarHBondContact O-N 3.39Å; M173-T176 PolarHBondContact O-OG1 2.96Å
174L90.5Very high88.9Confident107 Ų10794.9 Ų94.956%0.5649%0.489SS*.THydrogen-bonded Turntrans-69.1147.6172.7-62.4179.3000110.1T176L174-T176 PolarHBondContact O-N 3.34Å
175F90.7Very high88.8Confident88 Ų8891.5 Ų91.539%0.38648%0.475SS..THydrogen-bonded Turntrans6114.7-176.9-60.2-89.7000115.8H177 V178 C204 A209 H211F175-H177 VanDerWaalsContact C-N 3.31Å; F175-H177 PolarHBondContact O-N 3.18Å; F175-V178 HydrophobicContact CB-CG2 4.09Å; F175-V178 HydrophobicContact CD1-CG2 4.17Å; F175-V178 VanDerWaalsContact O-CG2 3.25Å; F175-V178 WeakPolarHBondContact O-CG2 3.49Å; F175-C204 HydrophobicContact CD1-CB 3.78Å; F175-C204 HydrophobicContact CD2-CB 4.49Å; F175-C204 HydrophobicContact CE1-CB 3.85Å; F175-C204 HydrophobicContact CG-CB 4.12Å; F175-C204 HydrophobicContact CZ-CB 4.25Å; F175-C204 PolarHBondContact N-SG 3.25Å; F175-A209 HydrophobicContact CE2-CB 4.39Å; F175-A209 HydrophobicContact CZ-CB 3.92Å; F175-H211 HydrophobicContact CE1-CB 4.05Å; F175-H211 HydrophobicContact CZ-CB 4.37Å
176T92.4Very high88.9Confident69 Ų6986.7 Ų86.742%0.42345%0.454SS..SBendtrans-64.3-37.4170.5-55.60000112.3P171 M173 L174P171-T176 HydrophobicContact CB-CG2 4.05Å; M173-T176 PolarHBondContact O-OG1 2.96Å; L174-T176 PolarHBondContact O-N 3.34Å
177H92Very high89.3Confident67 Ų6791.9 Ų91.931%0.3147%0.472SS..SBendtrans-121.5124.9173.6-57.7-49.4000109C166 F175 L205C166-H177 HydrophobicContact CB-CB 4.06Å; C166-H177 VanDerWaalsContact CB-CD2 3.49Å; C166-H177 WeakPolarHBondContact CB-CD2 3.16Å; F175-H177 VanDerWaalsContact C-N 3.31Å; F175-H177 PolarHBondContact O-N 3.18Å; H177-L205 HydrophobicContact CB-CB 4.16Å; H177-L205 HydrophobicContact CB-CD1 4.01Å; H177-L205 HydrophobicContact CB-CG 4.32Å; H177-L205 PolarHBondContact O-N 2.79Å
178V92.5Very high89.6Confident60 Ų6085.1 Ų85.136%0.36445%0.452SS..EExtended strand (participates in β ladder)trans-130.4132.7-171.3-177.20000109.5F175 F202 T203F175-V178 HydrophobicContact CB-CG2 4.09Å; F175-V178 HydrophobicContact CD1-CG2 4.17Å; F175-V178 VanDerWaalsContact O-CG2 3.25Å; F175-V178 WeakPolarHBondContact O-CG2 3.49Å; V178-F202 HydrophobicContact CG1-CB 3.72Å; V178-F202 HydrophobicContact CG1-CD1 3.87Å; V178-F202 HydrophobicContact CG1-CG 4.31Å; V178-T203 CarbonylContact C-O 3.54Å; V178-T203 VanDerWaalsContact CA-O 3.28Å; V178-T203 WeakPolarHBondContact CA-O 3.48Å
179G93Very high89.8Confident23 Ų2384.6 Ų84.624%0.23745%0.453CS..EExtended strand (participates in β ladder)trans-82128.6161.600000109.1T203G179-T203 PolarHBondContact N-O 3.07Å; G179-T203 PolarHBondContact O-N 2.82Å; G179-T203 PolarHBondContact O-OG1 2.95Å; G179-T203 VanDerWaalsContact O-OG1 3.07Å
180L94.3Very high89.8Confident117 Ų11782.2 Ų82.261%0.61344%0.442SS*.EExtended strand (participates in β ladder)trans-100.2121.8172.4-169.5160.4000107.5T200 F202L180-T200 HydrophobicContact CD2-CG2 4.26Å; L180-T200 HydrophobicContact CG-CG2 4.13Å; L180-F202 HydrophobicContact CD1-CE1 3.96Å; L180-F202 HydrophobicContact CG-CE1 4.25Å
181D94.8Very high90.1Very high96 Ų9683.1 Ų83.151%0.51345%0.445SS..EExtended strand (participates in β ladder)trans-130.7155.2170.1-171.222.6000108.8I201D181-I201 HydrophobicContact CB-CB 4.35Å; D181-I201 PolarHBondContact N-O 3.5Å; D181-I201 WeakPolarHBondContact O-CA 3.46Å; D181-I201 WeakPolarHBondContact O-CB 3.49Å; D181-I201 PolarHBondContact O-N 2.82Å
182C91.1Very high90.2Very high38 Ų3894.7 Ų94.726%0.25749%0.487SS..EExtended strand (participates in β ladder)trans-136.2123.7-179-69.90000108.6W218C182-W218 HydrophobicContact CB-CH2 3.73Å; C182-W218 HydrophobicContact CB-CZ2 3.41Å; C182-W218 VanDerWaalsContact CB-CZ2 3.41Å; C182-W218 WeakPolarHBondContact SG-CH2 3.29Å; C182-W218 WeakPolarHBondContact SG-CZ2 3.28Å
183F88.5Confident90.3Very high96 Ų9691.2 Ų91.242%0.42147%0.466SS..EExtended strand (participates in β ladder)trans-109150.6174.6100.1-89.5000110.7I186 V199 I201F183-I186 HydrophobicContact CE2-CG2 3.49Å; F183-I186 VanDerWaalsContact CE2-CG2 3.49Å; F183-I186 HydrophobicContact CZ-CD1 4.41Å; F183-I186 HydrophobicContact CZ-CG2 3.74Å; F183-V199 HydrophobicContact CD1-CB 3.82Å; F183-V199 HydrophobicContact CD1-CG1 4.29Å; F183-V199 HydrophobicContact CE1-CB 3.58Å; F183-V199 HydrophobicContact CE1-CG1 3.99Å; F183-V199 HydrophobicContact CE1-CG2 3.88Å; F183-V199 HydrophobicContact CZ-CB 4.47Å; F183-V199 HydrophobicContact CZ-CG2 4.35Å; F183-V199 PolarHBondContact N-O 2.87Å; F183-V199 VanDerWaalsContact N-O 3.14Å; F183-V199 PolarHBondContact O-N 2.89Å; F183-I201 HydrophobicContact CD1-CD1 3.97Å; F183-I201 HydrophobicContact CD1-CG1 4.39Å
184G80Confident90.3Very high32 Ų3290.2 Ų90.233%0.3346%0.46SS..EExtended strand (participates in β ladder)trans-59.1-177.6-158.200000116.4I186G184-I186 PolarHBondContact O-N 3.45Å; G184-I186 VanDerWaalsContact O-N 3.07Å
185P85.8Confident90.3Very high55 Ų5588 Ų8836%0.35745%0.446SS..EExtended strand (participates in β ladder)trans-70.7115.8-17127.5-28.8000110.1K196 R197 W198P185-K196 HydrophobicContact CB-CD 3.93Å; P185-K196 HydrophobicContact CB-CG 3.55Å; P185-R197 CarbonylContact C-O 3.58Å; P185-R197 VanDerWaalsContact CA-O 3.3Å; P185-R197 WeakPolarHBondContact CA-O 3.25Å; P185-W198 HydrophobicContact CB-CD2 4.18Å; P185-W198 HydrophobicContact CB-CE3 4.43Å; P185-W198 HydrophobicContact CB-CH2 4.29Å; P185-W198 HydrophobicContact CB-CZ2 3.99Å; P185-W198 VanDerWaalsContact CD-CZ3 3.49Å; P185-W198 HydrophobicContact CG-CH2 3.97Å; P185-W198 HydrophobicContact CG-CZ2 4.06Å; P185-W198 HydrophobicContact CG-CZ3 4.31Å
186I89.8Confident90.3Very high55 Ų5589 Ų8928%0.28245%0.45SS..EExtended strand (participates in β ladder)trans-96.6138.3170.456168.9000108.8F183 G184 V188 R197 V199F183-I186 HydrophobicContact CE2-CG2 3.49Å; F183-I186 VanDerWaalsContact CE2-CG2 3.49Å; F183-I186 HydrophobicContact CZ-CD1 4.41Å; F183-I186 HydrophobicContact CZ-CG2 3.74Å; G184-I186 PolarHBondContact O-N 3.45Å; G184-I186 VanDerWaalsContact O-N 3.07Å; I186-V188 HydrophobicContact CD1-CG1 3.77Å; I186-V188 HydrophobicContact CG1-CG1 4.02Å; I186-R197 PolarHBondContact N-O 3.21Å; I186-R197 PolarHBondContact O-N 3.21Å; I186-R197 VanDerWaalsContact O-O 3.14Å; I186-V199 HydrophobicContact CD1-CG2 3.48Å; I186-V199 VanDerWaalsContact CD1-CG2 3.48Å; I186-V199 HydrophobicContact CG1-CG2 4.07Å
187F90.9Very high90.1Very high144 Ų14487.7 Ų87.763%0.63244%0.438SS*.EExtended strand (participates in β ladder)trans-84.4115.8169.6-70.7-85.8000107.9K196F187-K196 HydrophobicContact CE1-CB 4.32Å
188V88.5Confident90.1Very high49 Ų4987.9 Ų87.930%0.29744%0.436SS..EExtended strand (participates in β ladder)trans-111.4143.3175.4-61.70000109.3I186 V190 Q194 E195 R197I186-V188 HydrophobicContact CD1-CG1 3.77Å; I186-V188 HydrophobicContact CG1-CG1 4.02Å; V188-V190 HydrophobicContact CG2-CG2 4.16Å; V188-V190 PolarHBondContact O-N 2.86Å; V188-Q194 VanDerWaalsContact C-OE1 3.3Å; V188-Q194 PolarHBondContact O-OE1 2.8Å; V188-E195 PolarHBondContact N-O 3.28Å; V188-E195 VanDerWaalsContact N-O 3.09Å; V188-E195 PolarHBondContact O-N 3.49Å; V188-R197 HydrophobicContact CG2-CB 3.93Å; V188-R197 HydrophobicContact CG2-CG 3.33Å
189S91Very high90.1Very high85 Ų8585.7 Ų85.759%0.59442%0.422SS*.EExtended strand (participates in β ladder)trans-73.7119174.7-174.40000109.6
190V88.1Confident90.1Very high47 Ų4785.2 Ų85.229%0.28542%0.415SS..EExtended strand (participates in β ladder)trans-116.6103171.8-176.80000107V188 R192 S193 E195V188-V190 HydrophobicContact CG2-CG2 4.16Å; V188-V190 PolarHBondContact O-N 2.86Å; V190-R192 PolarHBondContact O-N 2.82Å; V190-S193 PolarHBondContact N-O 2.86Å; V190-S193 PolarHBondContact O-N 2.8Å; V190-S193 PolarHBondContact O-OG 3.07Å; V190-E195 HydrophobicContact CB-CG 4.33Å; V190-E195 HydrophobicContact CG2-CB 4.17Å; V190-E195 HydrophobicContact CG2-CG 4.36Å
191R90.6Very high90.1Very high241 Ų24181.1 Ų81.191%0.90939%0.393SS*.THydrogen-bonded Turntrans56.9-105.1-175.2-57.1177173.4179.6-2.2112.4
192R91.6Very high90.2Very high257 Ų25779.8 Ų79.897%0.9738%0.383SS*.THydrogen-bonded Turntrans-109.1-0.3-178.3-64-174.2-179.4177.80.2113V190V190-R192 PolarHBondContact O-N 2.82Å
193S89.5Confident90.3Very high52 Ų5279.9 Ų79.936%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-110.1150.7177.842.10000111.2V190 E195V190-S193 PolarHBondContact N-O 2.86Å; V190-S193 PolarHBondContact O-N 2.8Å; V190-S193 PolarHBondContact O-OG 3.07Å; S193-E195 PolarHBondContact OG-OE1 2.97Å; S193-E195 VanDerWaalsContact OG-OE1 3.07Å
194Q91.1Very high90.5Very high117 Ų11775.3 Ų75.355%0.54736%0.363SS..EExtended strand (participates in β ladder)trans-94.4122.2163.2-74.6-67.8-24.900107.4V188V188-Q194 VanDerWaalsContact C-OE1 3.3Å; V188-Q194 PolarHBondContact O-OE1 2.8Å
195E90.1Very high90.8Very high61 Ų6176.8 Ų76.829%0.28536%0.363SS..EExtended strand (participates in β ladder)trans-120.4136-177.1-64.7-174.2-151.700110.8V188 V190 S193 R197V188-E195 PolarHBondContact N-O 3.28Å; V188-E195 VanDerWaalsContact N-O 3.09Å; V188-E195 PolarHBondContact O-N 3.49Å; V190-E195 HydrophobicContact CB-CG 4.33Å; V190-E195 HydrophobicContact CG2-CB 4.17Å; V190-E195 HydrophobicContact CG2-CG 4.36Å; S193-E195 PolarHBondContact OG-OE1 2.97Å; S193-E195 VanDerWaalsContact OG-OE1 3.07Å; E195-R197 PolarHBondContact O-N 2.83Å; E195-R197 IonicContact OE2-CZ 3.6Å; E195-R197 IonicContact OE2-NH1 2.94Å; E195-R197 PolarHBondContact OE2-NH1 2.73Å; E195-R197 IonicContact OE2-NH2 3.14Å; E195-R197 PolarHBondContact OE2-NH2 3.14Å
196K90.2Very high90.9Very high107 Ų10776.1 Ų76.147%0.46536%0.362SS..EExtended strand (participates in β ladder)trans-65.8122.3173.5-168.5-179-179.7179.20108.4P185 F187P185-K196 HydrophobicContact CB-CD 3.93Å; P185-K196 HydrophobicContact CB-CG 3.55Å; F187-K196 HydrophobicContact CE1-CB 4.32Å
197R89.8Confident90.9Very high43 Ų4376.2 Ų76.216%0.16237%0.367CS..EExtended strand (participates in β ladder)trans-129.8150.3173.2-67.4-62-171.6-101.8-1109.8P185 I186 V188 E195P185-R197 CarbonylContact C-O 3.58Å; P185-R197 VanDerWaalsContact CA-O 3.3Å; P185-R197 WeakPolarHBondContact CA-O 3.25Å; I186-R197 PolarHBondContact N-O 3.21Å; I186-R197 PolarHBondContact O-N 3.21Å; I186-R197 VanDerWaalsContact O-O 3.14Å; V188-R197 HydrophobicContact CG2-CB 3.93Å; V188-R197 HydrophobicContact CG2-CG 3.33Å; E195-R197 PolarHBondContact O-N 2.83Å; E195-R197 IonicContact OE2-CZ 3.6Å; E195-R197 IonicContact OE2-NH1 2.94Å; E195-R197 PolarHBondContact OE2-NH1 2.73Å; E195-R197 IonicContact OE2-NH2 3.14Å; E195-R197 PolarHBondContact OE2-NH2 3.14Å
198W91.7Very high90.8Very high70 Ų7078.7 Ų78.727%0.26537%0.372SS..EExtended strand (participates in β ladder)trans-108.5152.9172.4-60.684000108.8P185 Y214 V215 W218P185-W198 HydrophobicContact CB-CD2 4.18Å; P185-W198 HydrophobicContact CB-CE3 4.43Å; P185-W198 HydrophobicContact CB-CH2 4.29Å; P185-W198 HydrophobicContact CB-CZ2 3.99Å; P185-W198 VanDerWaalsContact CD-CZ3 3.49Å; P185-W198 HydrophobicContact CG-CH2 3.97Å; P185-W198 HydrophobicContact CG-CZ2 4.06Å; P185-W198 HydrophobicContact CG-CZ3 4.31Å; W198-Y214 CarbonylContact O-C 3.51Å; W198-Y214 WeakPolarHBondContact O-CA 3.17Å; W198-V215 HydrophobicContact CB-CB 4.47Å; W198-V215 PolarHBondContact N-O 3.07Å; W198-V215 PolarHBondContact O-N 3.04Å; W198-W218 AromaticContact CD1-CD1 3.42Å; W198-W218 VanDerWaalsContact CD1-CD1 3.42Å; W198-W218 AromaticContact CD1-NE1 3.95Å; W198-W218 AromaticContact CD2-CD1 3.44Å; W198-W218 VanDerWaalsContact CD2-CD1 3.44Å; W198-W218 AromaticContact CD2-NE1 3.47Å; W198-W218 AromaticContact CE2-CD1 3.76Å; W198-W218 AromaticContact CE3-NE1 3.73Å; W198-W218 AromaticContact CG-CD1 3.21Å; W198-W218 HydrophobicContact CG-CG 4.5Å; W198-W218 AromaticContact CG-NE1 3.26Å; W198-W218 VanDerWaalsContact CG-NE1 3.26Å; W198-W218 AromaticContact NE1-CD1 3.72Å
199V91.4Very high91.1Very high14 Ų1478.1 Ų78.19%0.08537%0.373CS..EExtended strand (participates in β ladder)trans-118.8119176.4-177.50000108.6F183 I186 I201 L212 V213F183-V199 HydrophobicContact CD1-CB 3.82Å; F183-V199 HydrophobicContact CD1-CG1 4.29Å; F183-V199 HydrophobicContact CE1-CB 3.58Å; F183-V199 HydrophobicContact CE1-CG1 3.99Å; F183-V199 HydrophobicContact CE1-CG2 3.88Å; F183-V199 HydrophobicContact CZ-CB 4.47Å; F183-V199 HydrophobicContact CZ-CG2 4.35Å; F183-V199 PolarHBondContact N-O 2.87Å; F183-V199 VanDerWaalsContact N-O 3.14Å; F183-V199 PolarHBondContact O-N 2.89Å; I186-V199 HydrophobicContact CD1-CG2 3.48Å; I186-V199 VanDerWaalsContact CD1-CG2 3.48Å; I186-V199 HydrophobicContact CG1-CG2 4.07Å; V199-I201 HydrophobicContact CG1-CG1 4.45Å; V199-L212 HydrophobicContact CG1-CB 4.08Å; V199-L212 HydrophobicContact CG1-CD2 3.91Å; V199-L212 HydrophobicContact CG1-CG 4.47Å; V199-V213 WeakPolarHBondContact CA-O 3.43Å
200T94.1Very high91.3Very high14 Ų1478.1 Ų78.19%0.08637%0.369CS..EExtended strand (participates in β ladder)trans-89.7125168.3-57.60000108.4L180 F202 V213 V215L180-T200 HydrophobicContact CD2-CG2 4.26Å; L180-T200 HydrophobicContact CG-CG2 4.13Å; T200-F202 HydrophobicContact CG2-CD2 4.1Å; T200-F202 HydrophobicContact CG2-CE1 4.17Å; T200-F202 HydrophobicContact CG2-CE2 3.48Å; T200-F202 VanDerWaalsContact CG2-CE2 3.48Å; T200-F202 HydrophobicContact CG2-CZ 3.53Å; T200-V213 PolarHBondContact N-O 2.99Å; T200-V213 PolarHBondContact O-N 3.05Å; T200-V215 WeakPolarHBondContact OG1-CG2 3.3Å
201I94.6Very high91.6Very high30 Ų3080.8 Ų80.815%0.15438%0.378CS..EExtended strand (participates in β ladder)trans-102115.2-179.4-52-179.5000107.8D181 F183 V199 T203 V210 L212D181-I201 HydrophobicContact CB-CB 4.35Å; D181-I201 PolarHBondContact N-O 3.5Å; D181-I201 WeakPolarHBondContact O-CA 3.46Å; D181-I201 WeakPolarHBondContact O-CB 3.49Å; D181-I201 PolarHBondContact O-N 2.82Å; F183-I201 HydrophobicContact CD1-CD1 3.97Å; F183-I201 HydrophobicContact CD1-CG1 4.39Å; V199-I201 HydrophobicContact CG1-CG1 4.45Å; I201-T203 HydrophobicContact CG2-CG2 4.29Å; I201-V210 HydrophobicContact CG2-CG1 3.47Å; I201-V210 VanDerWaalsContact CG2-CG1 3.47Å; I201-L212 HydrophobicContact CB-CD2 4.11Å; I201-L212 HydrophobicContact CD1-CD2 4.43Å; I201-L212 HydrophobicContact CG1-CD2 3.66Å; I201-L212 HydrophobicContact CG2-CD2 3.97Å
202F95Very high91.7Very high68 Ų6874.3 Ų74.330%0.29836%0.361SS..EExtended strand (participates in β ladder)trans-100.1109.4170.5-65-80.8000108.7V178 L180 T200 V210 H211 V213V178-F202 HydrophobicContact CG1-CB 3.72Å; V178-F202 HydrophobicContact CG1-CD1 3.87Å; V178-F202 HydrophobicContact CG1-CG 4.31Å; L180-F202 HydrophobicContact CD1-CE1 3.96Å; L180-F202 HydrophobicContact CG-CE1 4.25Å; T200-F202 HydrophobicContact CG2-CD2 4.1Å; T200-F202 HydrophobicContact CG2-CE1 4.17Å; T200-F202 HydrophobicContact CG2-CE2 3.48Å; T200-F202 VanDerWaalsContact CG2-CE2 3.48Å; T200-F202 HydrophobicContact CG2-CZ 3.53Å; F202-V210 CarbonylContact O-C 3.53Å; F202-V210 WeakPolarHBondContact O-CA 3.46Å; F202-H211 HydrophobicContact CB-CB 4.24Å; F202-H211 PolarHBondContact N-O 2.9Å; F202-H211 PolarHBondContact O-N 2.89Å; F202-V213 HydrophobicContact CD2-CG2 3.88Å; F202-V213 HydrophobicContact CE2-CB 4.07Å; F202-V213 HydrophobicContact CE2-CG2 3.68Å
203T94.1Very high91.7Very high41 Ų4164.5 Ų64.525%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-103.1116.4178.425.20000110.8V178 G179 I201 L205 A209 V210V178-T203 CarbonylContact C-O 3.54Å; V178-T203 VanDerWaalsContact CA-O 3.28Å; V178-T203 WeakPolarHBondContact CA-O 3.48Å; G179-T203 PolarHBondContact N-O 3.07Å; G179-T203 PolarHBondContact O-N 2.82Å; G179-T203 PolarHBondContact O-OG1 2.95Å; G179-T203 VanDerWaalsContact O-OG1 3.07Å; I201-T203 HydrophobicContact CG2-CG2 4.29Å; T203-L205 PolarHBondContact O-N 3.34Å; T203-A209 WeakPolarHBondContact CA-O 3.37Å; T203-V210 HydrophobicContact CG2-CB 4.45Å; T203-V210 HydrophobicContact CG2-CG1 4.36Å; T203-V210 HydrophobicContact CG2-CG2 3.76Å
204C91.9Very high91.7Very high0 Ų070.7 Ų70.70%035%0.346CS..EExtended strand (participates in β ladder)trans-65.3122.3173.3178.60000110.2F175 A206 S207 R208 A209F175-C204 HydrophobicContact CD1-CB 3.78Å; F175-C204 HydrophobicContact CD2-CB 4.49Å; F175-C204 HydrophobicContact CE1-CB 3.85Å; F175-C204 HydrophobicContact CG-CB 4.12Å; F175-C204 HydrophobicContact CZ-CB 4.25Å; F175-C204 PolarHBondContact N-SG 3.25Å; C204-A206 VanDerWaalsContact C-N 3.27Å; C204-A206 PolarHBondContact O-N 3.01Å; C204-S207 PolarHBondContact SG-OG 3.39Å; C204-R208 WeakPolarHBondContact O-CA 3.26Å; C204-R208 PolarHBondContact O-N 3.09Å; C204-A209 HydrophobicContact CB-CB 4.34Å; C204-A209 PolarHBondContact N-O 3.32Å
205L87.7Confident91.5Very high63 Ų6367 Ų6733%0.3333%0.332SS..THydrogen-bonded Turntrans-69.8-24.1-179.6-62.4-175.2000113.1H177 T203H177-L205 HydrophobicContact CB-CB 4.16Å; H177-L205 HydrophobicContact CB-CD1 4.01Å; H177-L205 HydrophobicContact CB-CG 4.32Å; H177-L205 PolarHBondContact O-N 2.79Å; T203-L205 PolarHBondContact O-N 3.34Å
206A87.9Confident91.2Very high41 Ų4167.5 Ų67.534%0.33934%0.339SS..THydrogen-bonded Turntrans-77.1-47.1179.600000114.3P171 C204P171-A206 HydrophobicContact CG-CB 3.47Å; P171-A206 VanDerWaalsContact CG-CB 3.47Å; C204-A206 VanDerWaalsContact C-N 3.27Å; C204-A206 PolarHBondContact O-N 3.01Å
207S90Very high90.6Very high56 Ų5668.2 Ų68.239%0.39234%0.344SS..THydrogen-bonded Turntrans-110.1-8.4-173.860.50000114.1C204 A209C204-S207 PolarHBondContact SG-OG 3.39Å; S207-A209 PolarHBondContact O-N 2.64Å; S207-A209 VanDerWaalsContact OG-CB 3.29Å; S207-A209 WeakPolarHBondContact OG-CB 3.46Å; S207-A209 PolarHBondContact OG-N 2.86Å
208R88.4Confident89.5Confident196 Ų19672.6 Ų72.674%0.7436%0.36SS*.  trans6013.5-167.6-54.5-65.4-174.41471.4114.3C204C204-R208 WeakPolarHBondContact O-CA 3.26Å; C204-R208 PolarHBondContact O-N 3.09Å
209A93.4Very high87.9Confident38 Ų3877.9 Ų77.931%0.31440%0.401SS..  trans-62.2139.1172.400000110.5F175 T203 C204 S207F175-A209 HydrophobicContact CE2-CB 4.39Å; F175-A209 HydrophobicContact CZ-CB 3.92Å; T203-A209 WeakPolarHBondContact CA-O 3.37Å; C204-A209 HydrophobicContact CB-CB 4.34Å; C204-A209 PolarHBondContact N-O 3.32Å; S207-A209 PolarHBondContact O-N 2.64Å; S207-A209 VanDerWaalsContact OG-CB 3.29Å; S207-A209 WeakPolarHBondContact OG-CB 3.46Å; S207-A209 PolarHBondContact OG-N 2.86Å
210V95.2Very high87.7Confident84 Ų8481.1 Ų81.151%0.50942%0.416SS..EExtended strand (participates in β ladder)trans-110.8130.6-177.1-171.30000109.2I201 F202 T203 L212I201-V210 HydrophobicContact CG2-CG1 3.47Å; I201-V210 VanDerWaalsContact CG2-CG1 3.47Å; F202-V210 CarbonylContact O-C 3.53Å; F202-V210 WeakPolarHBondContact O-CA 3.46Å; T203-V210 HydrophobicContact CG2-CB 4.45Å; T203-V210 HydrophobicContact CG2-CG1 4.36Å; T203-V210 HydrophobicContact CG2-CG2 3.76Å; V210-L212 HydrophobicContact CG1-CD2 3.8Å; V210-L212 HydrophobicContact CG1-CG 4.21Å
211H94.9Very high87.4Confident104 Ų10484.6 Ų84.648%0.48143%0.434SS..EExtended strand (participates in β ladder)trans-117122.8169.4-177.469.8000109.3F175 F202F175-H211 HydrophobicContact CE1-CB 4.05Å; F175-H211 HydrophobicContact CZ-CB 4.37Å; F202-H211 HydrophobicContact CB-CB 4.24Å; F202-H211 PolarHBondContact N-O 2.9Å; F202-H211 PolarHBondContact O-N 2.89Å
212L92.9Very high87Confident105 Ų10587.7 Ų87.755%0.5545%0.449SS..EExtended strand (participates in β ladder)trans-104.2127.7-176.1-60.9177.1000109.9V199 I201 V210V199-L212 HydrophobicContact CG1-CB 4.08Å; V199-L212 HydrophobicContact CG1-CD2 3.91Å; V199-L212 HydrophobicContact CG1-CG 4.47Å; I201-L212 HydrophobicContact CB-CD2 4.11Å; I201-L212 HydrophobicContact CD1-CD2 4.43Å; I201-L212 HydrophobicContact CG1-CD2 3.66Å; I201-L212 HydrophobicContact CG2-CD2 3.97Å; V210-L212 HydrophobicContact CG1-CD2 3.8Å; V210-L212 HydrophobicContact CG1-CG 4.21Å
213V92.7Very high86.5Confident51 Ų5188.8 Ų88.831%0.30946%0.458SS..EExtended strand (participates in β ladder)trans-120.9126.4176.8-179.30000108.7V199 T200 F202V199-V213 WeakPolarHBondContact CA-O 3.43Å; T200-V213 PolarHBondContact N-O 2.99Å; T200-V213 PolarHBondContact O-N 3.05Å; F202-V213 HydrophobicContact CD2-CG2 3.88Å; F202-V213 HydrophobicContact CE2-CB 4.07Å; F202-V213 HydrophobicContact CE2-CG2 3.68Å
214Y88.4Confident86Confident182 Ų18291.8 Ų91.871%0.71447%0.471SS*.EExtended strand (participates in β ladder)trans-83.8129.9173.551.3-92.2000110.1W198W198-Y214 CarbonylContact O-C 3.51Å; W198-Y214 WeakPolarHBondContact O-CA 3.17Å
215V87Confident85.6Confident39 Ų3997.9 Ų97.924%0.23650%0.503CS..EExtended strand (participates in β ladder)trans-115.6131-179.9-175.60000108.6W198 T200 H217W198-V215 HydrophobicContact CB-CB 4.47Å; W198-V215 PolarHBondContact N-O 3.07Å; W198-V215 PolarHBondContact O-N 3.04Å; T200-V215 WeakPolarHBondContact OG1-CG2 3.3Å; V215-H217 WeakPolarHBondContact CG1-O 3.33Å
216T84Confident85.5Confident71 Ų71100.4 Ų100.444%0.43652%0.515SS..SBendtrans-86.7-28.3-175.862.70000112.7
217H77.4Confident85.3Confident122 Ų122105 Ų10557%0.56553%0.529SS*.  trans-139.9130.3-179.847.9-80.1000110.1V215V215-H217 WeakPolarHBondContact CG1-O 3.33Å
218W67.2Low84.9Confident136 Ų136109.1 Ų109.152%0.51554%0.54SS..  trans-90.4101.3160.9-83.976.6000106.5C182 W198C182-W218 HydrophobicContact CB-CH2 3.73Å; C182-W218 HydrophobicContact CB-CZ2 3.41Å; C182-W218 VanDerWaalsContact CB-CZ2 3.41Å; C182-W218 WeakPolarHBondContact SG-CH2 3.29Å; C182-W218 WeakPolarHBondContact SG-CZ2 3.28Å; W198-W218 AromaticContact CD1-CD1 3.42Å; W198-W218 VanDerWaalsContact CD1-CD1 3.42Å; W198-W218 AromaticContact CD1-NE1 3.95Å; W198-W218 AromaticContact CD2-CD1 3.44Å; W198-W218 VanDerWaalsContact CD2-CD1 3.44Å; W198-W218 AromaticContact CD2-NE1 3.47Å; W198-W218 AromaticContact CE2-CD1 3.76Å; W198-W218 AromaticContact CE3-NE1 3.73Å; W198-W218 AromaticContact CG-CD1 3.21Å; W198-W218 HydrophobicContact CG-CG 4.5Å; W198-W218 AromaticContact CG-NE1 3.26Å; W198-W218 VanDerWaalsContact CG-NE1 3.26Å; W198-W218 AromaticContact NE1-CD1 3.72Å
219T57.3Low84.6Confident181 Ų181101.2 Ų101.2100%1.1152%0.522SS*.  trans-75.8015847.60000108.4

Retrieved 219 of 219 residues in 242.8 ms (Link to these results)

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