A0A077ZHH6_TRITR Loading...

GTPase Der

GTPase that plays an essential role in the late steps of ribosome biogenesis.

AlphaFold DB (P0A6P5), UniProt , Accession A0A077ZHH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 490 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
1M61.3Low80Confident120 Ų12028.1 Ų28.159%0.59115%0.153SC*.  01380-164.9-177.7-61.500108.1S240M1-S240 WeakPolarHBondContact CE-OG 3.3Å
2V70.7Confident80.1Confident18 Ų1837.9 Ų37.911%0.10921%0.205CC..  trans-73.3124.5177.5-1750000110E51 I53 Q280 E283V2-E51 HydrophobicContact CG1-CB 4.39Å; V2-E51 WeakPolarHBondContact CG1-O 3.42Å; V2-I53 HydrophobicContact CG1-CG1 4.19Å; V2-Q280 PolarHBondContact O-NE2 3.14Å; V2-E283 VanDerWaalsContact CB-OE2 3.29Å; V2-E283 WeakPolarHBondContact CB-OE2 3.49Å; V2-E283 WeakPolarHBondContact CG1-OE2 3.47Å; V2-E283 HydrophobicContact CG2-CB 4.05Å; V2-E283 WeakPolarHBondContact CG2-OE2 3.48Å
3P81.8Confident80.4Confident18 Ų1835.1 Ų35.112%0.11719%0.19CC..  trans-73.3148.5-176.826.1-30.8000112F52 I53 D83 W162 M163P3-F52 HydrophobicContact CG-CB 4.04Å; P3-F52 WeakPolarHBondContact O-CA 3.45Å; P3-F52 WeakPolarHBondContact O-CB 3.34Å; P3-I53 PolarHBondContact O-N 2.83Å; P3-D83 WeakPolarHBondContact CA-OD2 3.48Å; P3-W162 HydrophobicContact CB-CZ3 4.14Å; P3-M163 HydrophobicContact CB-CG 4.49Å; P3-M163 HydrophobicContact CG-CE 3.53Å; P3-M163 HydrophobicContact CG-CG 3.84Å; P3-M163 HydrophobicContact CG-SD 3.99Å
4V79.7Confident80.6Confident0 Ų033.4 Ų33.40%019%0.185CC..EExtended strand (participates in β ladder)trans-112.2123.6-175.1-178.20000110I53 I55 A82 D83 V84 I276 Q280V4-I53 WeakPolarHBondContact CA-O 3.34Å; V4-I53 HydrophobicContact CG2-CB 4.29Å; V4-I53 HydrophobicContact CG2-CD1 4.38Å; V4-I55 HydrophobicContact CG1-CD1 3.34Å; V4-I55 HydrophobicContact CG1-CG1 3.98Å; V4-A82 HydrophobicContact CG1-CB 4.12Å; V4-D83 PolarHBondContact N-OD2 3.08Å; V4-D83 PolarHBondContact O-N 3.38Å; V4-V84 PolarHBondContact O-N 3.37Å; V4-V84 VanDerWaalsContact O-N 3.07Å; V4-I276 HydrophobicContact CB-CG2 4.3Å; V4-I276 HydrophobicContact CG1-CD1 4.21Å; V4-I276 HydrophobicContact CG1-CG2 4Å; V4-I276 HydrophobicContact CG2-CG2 3.57Å; V4-Q280 HydrophobicContact CG2-CG 4.06Å
5V85.8Confident80.7Confident1 Ų132.2 Ų32.21%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-113.8113.5-177.7-1760000109.9F52 I53 C54 I55 V84 L86 L159V5-F52 HydrophobicContact CB-CD2 4.12Å; V5-F52 HydrophobicContact CB-CE2 4.42Å; V5-F52 HydrophobicContact CG2-CD2 3.66Å; V5-F52 HydrophobicContact CG2-CE2 4.2Å; V5-F52 HydrophobicContact CG2-CG 4.35Å; V5-I53 PolarHBondContact N-O 2.64Å; V5-C54 WeakPolarHBondContact O-CA 3.47Å; V5-I55 PolarHBondContact O-N 3.33Å; V5-V84 WeakPolarHBondContact CA-O 3.17Å; V5-V84 HydrophobicContact CG1-CB 4.47Å; V5-V84 HydrophobicContact CG2-CB 4.34Å; V5-L86 HydrophobicContact CG1-CD1 3.76Å; V5-L86 HydrophobicContact CG1-CG 3.7Å; V5-L159 HydrophobicContact CG1-CD2 4.35Å; V5-L159 HydrophobicContact CG2-CD2 4.01Å
6A85.5Confident80.5Confident0 Ų033.1 Ų33.10%019%0.186CC..EExtended strand (participates in β ladder)trans-91.2127.817500000111.9V8 A82 V84 L86A6-V8 HydrophobicContact CB-CG2 4.22Å; A6-A82 HydrophobicContact CB-CB 3.41Å; A6-A82 VanDerWaalsContact CB-CB 3.41Å; A6-V84 PolarHBondContact N-O 3.33Å; A6-L86 PolarHBondContact O-N 2.69Å
7L85.9Confident80.5Confident0 Ų035.1 Ų35.10%020%0.2CC..EExtended strand (participates in β ladder)trans-88112.8169-57.6-177.2000109.3L18 F19 L22 I55 T57 L86L7-L18 HydrophobicContact CD1-CB 4.47Å; L7-L18 HydrophobicContact CD2-CD2 3.96Å; L7-F19 HydrophobicContact CD1-CB 3.72Å; L7-F19 HydrophobicContact CD1-CD2 4.34Å; L7-L22 HydrophobicContact CD2-CD1 4.3Å; L7-I55 PolarHBondContact N-O 3.5Å; L7-T57 WeakPolarHBondContact O-CB 3.36Å; L7-T57 WeakPolarHBondContact O-CG2 3.13Å; L7-T57 PolarHBondContact O-N 2.9Å; L7-T57 PolarHBondContact O-OG1 2.82Å; L7-L86 HydrophobicContact CD2-CB 3.78Å; L7-L86 HydrophobicContact CD2-CD1 3.65Å; L7-L86 HydrophobicContact CD2-CG 4.23Å
8V86.5Confident80.7Confident2 Ų233.2 Ų33.21%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-120.3146.4-175.6177.40000109.4A6 T57 I79 V85 L86 F87 M88 I102A6-V8 HydrophobicContact CB-CG2 4.22Å; V8-T57 HydrophobicContact CG2-CG2 4.1Å; V8-I79 HydrophobicContact CG1-CD1 3.93Å; V8-I79 HydrophobicContact CG1-CG1 4.37Å; V8-I79 HydrophobicContact CG2-CD1 4.02Å; V8-I79 HydrophobicContact CG2-CG1 3.54Å; V8-V85 HydrophobicContact CB-CG1 3.8Å; V8-V85 HydrophobicContact CG2-CG1 3.57Å; V8-L86 PolarHBondContact N-O 3.36Å; V8-F87 HydrophobicContact CG1-CD2 4.3Å; V8-F87 CarbonylContact O-C 3.58Å; V8-F87 WeakPolarHBondContact O-CA 3.37Å; V8-M88 PolarHBondContact O-N 2.66Å; V8-I102 HydrophobicContact CG1-CG2 3.73Å
9G83.2Confident80.7Confident6 Ų631.9 Ų31.96%0.06218%0.181CC..  trans159.9163.2-179.100000111.5K15 M88G9-K15 WeakPolarHBondContact O-CE 3.41Å; G9-K15 PolarHBondContact O-NZ 3.48Å; G9-M88 WeakPolarHBondContact CA-O 3.34Å
10R82.6Confident80.5Confident56 Ų5633.4 Ų33.421%0.21119%0.188CC..SBendtrans-59.2161175.269.8177.8-35.886.44.8111.6V13 D99R10-V13 HydrophobicContact CB-CG1 4.41Å; R10-V13 HydrophobicContact CG-CG1 3.18Å; R10-V13 WeakPolarHBondContact O-CG2 3.31Å; R10-D99 WeakPolarHBondContact CD-OD1 3.27Å; R10-D99 WeakPolarHBondContact CG-OD1 3.34Å; R10-D99 IonicContact CZ-OD1 2.74Å; R10-D99 IonicContact NE-OD1 3.04Å; R10-D99 VanDerWaalsContact NH1-N 3.19Å; R10-D99 IonicContact NH1-OD1 2.89Å; R10-D99 PolarHBondContact NH1-OD1 3.24Å; R10-D99 IonicContact NH1-OD2 3.23Å; R10-D99 PolarHBondContact NH1-OD2 2.83Å
11P77.5Confident80.4Confident88 Ų8835.2 Ų35.257%0.57119%0.192SC*.THydrogen-bonded Turntrans-54147.2172.4-26.235.5000112.3V13P11-V13 VanDerWaalsContact C-N 3.29Å; P11-V13 PolarHBondContact O-N 3.46Å
12N80.3Confident81.3Confident146 Ų14629.8 Ų29.878%0.78117%0.166SC*.THydrogen-bonded Turntrans6511175.4-58.8-41.2000117.9G14 K119N12-G14 PolarHBondContact O-N 3.32Å; N12-K119 WeakPolarHBondContact O-CE 3.33Å; N12-K119 PolarHBondContact O-NZ 2.83Å
13V84.9Confident81.4Confident1 Ų129.6 Ų29.61%0.00616%0.164CC..SBendtrans-69.8-15170.6-60.80000113.5R10 P11 K15 M88 D90 N118R10-V13 HydrophobicContact CB-CG1 4.41Å; R10-V13 HydrophobicContact CG-CG1 3.18Å; R10-V13 WeakPolarHBondContact O-CG2 3.31Å; P11-V13 VanDerWaalsContact C-N 3.29Å; P11-V13 PolarHBondContact O-N 3.46Å; V13-K15 HydrophobicContact CG2-CD 4.23Å; V13-K15 HydrophobicContact CG2-CG 3.47Å; V13-K15 VanDerWaalsContact CG2-CG 3.47Å; V13-M88 HydrophobicContact CB-CB 4.43Å; V13-M88 HydrophobicContact CG2-CB 3.71Å; V13-D90 HydrophobicContact CG1-CB 4.18Å; V13-N118 PolarHBondContact O-ND2 3.1Å
14G82.5Confident80.5Confident12 Ų1235.8 Ų35.812%0.12419%0.185CC..SBendtrans101.724.4-177.700000115N12 S16 T17 L18N12-G14 PolarHBondContact O-N 3.32Å; G14-S16 PolarHBondContact O-N 2.82Å; G14-T17 WeakPolarHBondContact O-CB 3.25Å; G14-T17 PolarHBondContact O-N 2.99Å; G14-T17 VanDerWaalsContact O-N 3.1Å; G14-L18 PolarHBondContact O-N 3.32Å
15K82Confident79.1Confident15 Ų1538.9 Ų38.97%0.06520%0.204CC..Hα-helixtrans-51.9-54.5176.3-56.9-169-62.9-172.60112.5G9 V13 T17 L18 F19 D56 T57 G58 M88G9-K15 WeakPolarHBondContact O-CE 3.41Å; G9-K15 PolarHBondContact O-NZ 3.48Å; V13-K15 HydrophobicContact CG2-CD 4.23Å; V13-K15 HydrophobicContact CG2-CG 3.47Å; V13-K15 VanDerWaalsContact CG2-CG 3.47Å; K15-T17 PolarHBondContact O-N 3.28Å; K15-L18 PolarHBondContact O-N 3.22Å; K15-L18 VanDerWaalsContact O-N 3.13Å; K15-F19 WeakPolarHBondContact O-CB 3.37Å; K15-F19 PolarHBondContact O-N 2.97Å; K15-D56 WeakPolarHBondContact CB-OD1 3.25Å; K15-T57 PolarHBondContact NZ-OG1 3.05Å; K15-G58 VanDerWaalsContact NZ-CA 3.33Å; K15-M88 HydrophobicContact CB-SD 4.35Å; K15-M88 HydrophobicContact CG-SD 4.12Å
16S77.9Confident76.8Confident46 Ų4650.1 Ų50.132%0.32225%0.247SC..Hα-helixtrans-64.9-26.3179.3-48.40000113.3G14 N20 D56G14-S16 PolarHBondContact O-N 2.82Å; S16-N20 WeakPolarHBondContact O-CB 3.22Å; S16-N20 PolarHBondContact O-N 3.08Å; S16-N20 PolarHBondContact O-ND2 2.8Å; S16-D56 VanDerWaalsContact CA-OD2 3.28Å; S16-D56 WeakPolarHBondContact CA-OD2 3.47Å; S16-D56 WeakPolarHBondContact CB-OD2 3.35Å; S16-D56 PolarHBondContact N-OD2 3.42Å; S16-D56 PolarHBondContact OG-OD2 3.06Å
17T81Confident74.4Confident68 Ų6857.6 Ų57.642%0.41729%0.287SS..Hα-helixtrans-71.1-43.4174.8-45.40000111G14 K15 R21 A145G14-T17 WeakPolarHBondContact O-CB 3.25Å; G14-T17 PolarHBondContact O-N 2.99Å; G14-T17 VanDerWaalsContact O-N 3.1Å; K15-T17 PolarHBondContact O-N 3.28Å; T17-R21 PolarHBondContact O-N 3.42Å; T17-A145 HydrophobicContact CG2-CB 4.1Å; T17-A145 VanDerWaalsContact CG2-O 3.24Å; T17-A145 WeakPolarHBondContact CG2-O 3.3Å
18L83.7Confident71.7Confident0 Ų060.4 Ų60.40%031%0.31CS..Hα-helixtrans-66.2-46.9173.9-177.161.4000110.5L7 G14 K15 N20 R21 L22 M88 I143 A145 V151L7-L18 HydrophobicContact CD1-CB 4.47Å; L7-L18 HydrophobicContact CD2-CD2 3.96Å; G14-L18 PolarHBondContact O-N 3.32Å; K15-L18 PolarHBondContact O-N 3.22Å; K15-L18 VanDerWaalsContact O-N 3.13Å; L18-N20 PolarHBondContact O-N 3.18Å; L18-R21 CarbonylContact O-C 3.59Å; L18-R21 WeakPolarHBondContact O-CA 3.34Å; L18-R21 WeakPolarHBondContact O-CB 3.4Å; L18-R21 PolarHBondContact O-N 2.66Å; L18-L22 HydrophobicContact CD1-CD1 4.39Å; L18-L22 HydrophobicContact CD1-CD2 4.26Å; L18-L22 HydrophobicContact CD1-CG 4.09Å; L18-L22 HydrophobicContact CD2-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 3.97Å; L18-L22 HydrophobicContact CG-CG 4.1Å; L18-L22 WeakPolarHBondContact O-CG 3.32Å; L18-L22 PolarHBondContact O-N 3.23Å; L18-M88 HydrophobicContact CB-CE 3.92Å; L18-M88 HydrophobicContact CB-SD 3.88Å; L18-M88 HydrophobicContact CD2-CE 3.92Å; L18-M88 HydrophobicContact CD2-CG 4.3Å; L18-M88 HydrophobicContact CD2-SD 3.48Å; L18-M88 WeakPolarHBondContact CD2-SD 3.37Å; L18-M88 HydrophobicContact CG-SD 4.32Å; L18-I143 HydrophobicContact CD1-CD1 3.96Å; L18-I143 HydrophobicContact CD2-CD1 4.01Å; L18-A145 HydrophobicContact CB-CB 4.17Å; L18-V151 HydrophobicContact CD1-CG1 3.89Å; L18-V151 HydrophobicContact CD1-CG2 4.04Å
19F81Confident69Low9 Ų963.7 Ų63.74%0.03933%0.327CS..Hα-helixtrans-48.9-57.8176179.3-91.7000111.7L7 K15 R21 L22 T23 K41 C54 D56L7-F19 HydrophobicContact CD1-CB 3.72Å; L7-F19 HydrophobicContact CD1-CD2 4.34Å; K15-F19 WeakPolarHBondContact O-CB 3.37Å; K15-F19 PolarHBondContact O-N 2.97Å; F19-R21 PolarHBondContact O-N 2.63Å; F19-R21 VanDerWaalsContact O-N 3.12Å; F19-L22 PolarHBondContact O-N 3.01Å; F19-L22 VanDerWaalsContact O-N 3.11Å; F19-T23 HydrophobicContact CD1-CG2 4.41Å; F19-T23 HydrophobicContact CD2-CG2 4.29Å; F19-T23 HydrophobicContact CE1-CG2 4.02Å; F19-T23 HydrophobicContact CE2-CG2 3.91Å; F19-T23 HydrophobicContact CZ-CG2 3.76Å; F19-T23 WeakPolarHBondContact O-CG2 3.32Å; F19-T23 PolarHBondContact O-N 2.87Å; F19-T23 PolarHBondContact O-OG1 3.26Å; F19-K41 HydrophobicContact CD1-CB 4.16Å; F19-K41 HydrophobicContact CD1-CD 4.14Å; F19-K41 HydrophobicContact CE1-CB 3.55Å; F19-K41 HydrophobicContact CE1-CD 4Å; F19-K41 HydrophobicContact CE1-CG 4.32Å; F19-K41 HydrophobicContact CE2-CB 4.12Å; F19-K41 WeakPolarHBondContact CE2-O 3.35Å; F19-K41 HydrophobicContact CZ-CB 3.52Å; F19-K41 WeakPolarHBondContact CZ-O 3.49Å; F19-C54 HydrophobicContact CD2-CB 4.2Å; F19-C54 HydrophobicContact CE2-CB 4.11Å; F19-C54 WeakPolarHBondContact CE2-O 3.29Å; F19-D56 HydrophobicContact CB-CB 4.31Å; F19-D56 HydrophobicContact CD2-CB 3.83Å; F19-D56 HydrophobicContact CE2-CB 4.4Å; F19-D56 HydrophobicContact CG-CB 4.07Å
20N76.8Confident66.4Low62 Ų6266.1 Ų66.133%0.33234%0.34SS..Hα-helixtrans-60.6-27.4-179.1-69.4-19.5000112.8S16 L18 T25S16-N20 WeakPolarHBondContact O-CB 3.22Å; S16-N20 PolarHBondContact O-N 3.08Å; S16-N20 PolarHBondContact O-ND2 2.8Å; L18-N20 PolarHBondContact O-N 3.18Å; N20-T25 PolarHBondContact O-N 3.25Å; N20-T25 PolarHBondContact O-OG1 3.19Å
21R78.7Confident63.9Low72 Ų7264.7 Ų64.727%0.27234%0.341SS..Hα-helixtrans-78.2-42.5176.9179.4170.9-75.7163.3-1.1112T17 L18 F19 R24 A144 A145 S146 G148 V151T17-R21 PolarHBondContact O-N 3.42Å; L18-R21 CarbonylContact O-C 3.59Å; L18-R21 WeakPolarHBondContact O-CA 3.34Å; L18-R21 WeakPolarHBondContact O-CB 3.4Å; L18-R21 PolarHBondContact O-N 2.66Å; F19-R21 PolarHBondContact O-N 2.63Å; F19-R21 VanDerWaalsContact O-N 3.12Å; R21-R24 PolarHBondContact O-N 3.45Å; R21-A144 PolarHBondContact NH1-O 3.49Å; R21-A145 PolarHBondContact NH1-O 3.35Å; R21-A145 PolarHBondContact NH2-O 2.85Å; R21-S146 PolarHBondContact NH2-O 3.44Å; R21-G148 VanDerWaalsContact NH2-N 3.19Å; R21-V151 HydrophobicContact CG-CG1 4.4Å
22L79.3Confident61.9Low6 Ų665.5 Ų65.53%0.03134%0.34CS..Hα-helixtrans-63.5-46.4177.8-67.6-178.6000110.8L7 L18 F19 R24 A45 V151 L155L7-L22 HydrophobicContact CD2-CD1 4.3Å; L18-L22 HydrophobicContact CD1-CD1 4.39Å; L18-L22 HydrophobicContact CD1-CD2 4.26Å; L18-L22 HydrophobicContact CD1-CG 4.09Å; L18-L22 HydrophobicContact CD2-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 3.97Å; L18-L22 HydrophobicContact CG-CG 4.1Å; L18-L22 WeakPolarHBondContact O-CG 3.32Å; L18-L22 PolarHBondContact O-N 3.23Å; F19-L22 PolarHBondContact O-N 3.01Å; F19-L22 VanDerWaalsContact O-N 3.11Å; L22-R24 PolarHBondContact O-N 3.17Å; L22-R24 VanDerWaalsContact O-N 3.12Å; L22-A45 HydrophobicContact CB-CB 4.3Å; L22-A45 WeakPolarHBondContact O-CB 3.48Å; L22-V151 HydrophobicContact CD2-CG1 4.02Å; L22-L155 HydrophobicContact CD2-CD1 3.65Å; L22-L155 HydrophobicContact CD2-CD2 3.46Å; L22-L155 VanDerWaalsContact CD2-CD2 3.46Å; L22-L155 HydrophobicContact CD2-CG 3.85Å
23T72.4Confident60.1Low13 Ų1361 Ų618%0.0831%0.314CS..THydrogen-bonded Turntrans-77.66-179.563.70000113.2F19 T25 R44 C54F19-T23 HydrophobicContact CD1-CG2 4.41Å; F19-T23 HydrophobicContact CD2-CG2 4.29Å; F19-T23 HydrophobicContact CE1-CG2 4.02Å; F19-T23 HydrophobicContact CE2-CG2 3.91Å; F19-T23 HydrophobicContact CZ-CG2 3.76Å; F19-T23 WeakPolarHBondContact O-CG2 3.32Å; F19-T23 PolarHBondContact O-N 2.87Å; F19-T23 PolarHBondContact O-OG1 3.26Å; T23-T25 VanDerWaalsContact C-N 3.31Å; T23-T25 PolarHBondContact O-N 2.94Å; T23-T25 VanDerWaalsContact O-N 3.13Å; T23-R44 WeakPolarHBondContact CA-O 3.23Å; T23-C54 HydrophobicContact CG2-CB 4.18Å
24R63.1Low57.7Low149 Ų14966.7 Ų66.756%0.56235%0.35SS*.THydrogen-bonded Turntrans38.954.2177.1-65-175.6-177.3171.22.8113.1R21 L22 R26 D27 A28R21-R24 PolarHBondContact O-N 3.45Å; L22-R24 PolarHBondContact O-N 3.17Å; L22-R24 VanDerWaalsContact O-N 3.12Å; R24-R26 PolarHBondContact O-N 2.81Å; R24-D27 PolarHBondContact O-N 3.35Å; R24-A28 PolarHBondContact O-N 3.39Å
25T50.8Low55.8Low64 Ų6469 Ų6939%0.39338%0.375SS..THydrogen-bonded Turntrans-68.539.7179.751.60000114.2N20 T23 V30N20-T25 PolarHBondContact O-N 3.25Å; N20-T25 PolarHBondContact O-OG1 3.19Å; T23-T25 VanDerWaalsContact C-N 3.31Å; T23-T25 PolarHBondContact O-N 2.94Å; T23-T25 VanDerWaalsContact O-N 3.13Å; T25-V30 HydrophobicContact CG2-CG2 4.04Å
26R37.2Very low53.8Low238 Ų23870 Ų7090%0.89838%0.381SS*.THydrogen-bonded Turntrans-130.7-25.7167.4-69.3-172.7179.41690.7113.8R24R24-R26 PolarHBondContact O-N 2.81Å
27D35.2Very low51.6Low157 Ų15773 Ų7384%0.8440%0.397SS*.THydrogen-bonded Turntrans-120.3-21.8-178-77.1-33.2000114.3R24 L29R24-D27 PolarHBondContact O-N 3.35Å; D27-L29 PolarHBondContact O-N 2.92Å
28A28.1Very low49.6Very low59 Ų5980.9 Ų80.949%0.48842%0.419SS..SBendtrans-72.8114.2155.400000105.8R24 V30R24-A28 PolarHBondContact O-N 3.39Å; A28-V30 PolarHBondContact O-N 2.99Å
29L30.3Very low47.8Very low71 Ų7186.2 Ų86.237%0.37245%0.448SS..  trans-52.690.1166.4-81.9152000107.4D27 A31 K435 I455D27-L29 PolarHBondContact O-N 2.92Å; L29-A31 PolarHBondContact O-N 3.35Å; L29-K435 HydrophobicContact CD2-CD 4Å; L29-I455 WeakPolarHBondContact CD1-O 3.34Å
30V28.4Very low46.4Very low57 Ų5791.4 Ų91.435%0.34547%0.467SS..  trans-57.8104.3151.9-178.30000101.3T25 A28 D32T25-V30 HydrophobicContact CG2-CG2 4.04Å; A28-V30 PolarHBondContact O-N 2.99Å; V30-D32 WeakPolarHBondContact CG1-OD1 3.43Å; V30-D32 PolarHBondContact O-N 3.32Å
31A31Very low45.6Very low26 Ų2693.2 Ų93.222%0.21547%0.472CS..  trans-61.196.5157.500000103.8L29 F33L29-A31 PolarHBondContact O-N 3.35Å; A31-F33 HydrophobicContact CB-CD1 4.33Å; A31-F33 HydrophobicContact CB-CD2 3.22Å; A31-F33 HydrophobicContact CB-CE1 4.13Å; A31-F33 HydrophobicContact CB-CE2 2.99Å; A31-F33 HydrophobicContact CB-CG 3.92Å; A31-F33 HydrophobicContact CB-CZ 3.49Å; A31-F33 VanDerWaalsContact CB-CZ 3.49Å; A31-F33 PolarHBondContact O-N 3.19Å
32D36.1Very low45.2Very low104 Ų10492.5 Ų92.556%0.55647%0.47SS*.  trans-64.368.9162.4-74.7-30000105.3V30 P34 R436V30-D32 WeakPolarHBondContact CG1-OD1 3.43Å; V30-D32 PolarHBondContact O-N 3.32Å; D32-P34 WeakPolarHBondContact O-CD 3.43Å; D32-R436 PolarHBondContact O-NH2 3.08Å
33F41.2Very low44.7Very low52 Ų5292.7 Ų92.723%0.22847%0.473CS..  trans-70.3116167.6-67.7-68.3000104.1A31 G35 L36 L310 F344A31-F33 HydrophobicContact CB-CD1 4.33Å; A31-F33 HydrophobicContact CB-CD2 3.22Å; A31-F33 HydrophobicContact CB-CE1 4.13Å; A31-F33 HydrophobicContact CB-CE2 2.99Å; A31-F33 HydrophobicContact CB-CG 3.92Å; A31-F33 HydrophobicContact CB-CZ 3.49Å; A31-F33 VanDerWaalsContact CB-CZ 3.49Å; A31-F33 PolarHBondContact O-N 3.19Å; F33-G35 PolarHBondContact O-N 3.39Å; F33-L36 HydrophobicContact CB-CD1 3.59Å; F33-L36 HydrophobicContact CB-CG 3.99Å; F33-L36 HydrophobicContact CD2-CD1 3.57Å; F33-L36 HydrophobicContact CG-CD1 4.03Å; F33-L36 PolarHBondContact O-N 3.3Å; F33-L310 HydrophobicContact CD2-CD1 4.23Å; F33-L310 HydrophobicContact CE2-CB 4.48Å; F33-L310 HydrophobicContact CE2-CD1 3.73Å; F33-L310 HydrophobicContact CZ-CD1 4.36Å; F33-F344 HydrophobicContact CB-CD2 4.37Å; F33-F344 HydrophobicContact CB-CE2 4.35Å; F33-F344 HydrophobicContact CD1-CB 4.25Å; F33-F344 AromaticContact CD1-CD2 3.58Å; F33-F344 HydrophobicContact CD1-CD2 3.58Å; F33-F344 HydrophobicContact CD1-CE2 4.22Å; F33-F344 HydrophobicContact CD1-CG 4.16Å; F33-F344 HydrophobicContact CD2-CD2 4.48Å; F33-F344 HydrophobicContact CD2-CE2 4.38Å; F33-F344 AromaticContact CE1-CD2 3.86Å; F33-F344 HydrophobicContact CE1-CD2 3.86Å; F33-F344 AromaticContact CG-CD2 3.93Å; F33-F344 HydrophobicContact CG-CD2 3.93Å; F33-F344 HydrophobicContact CG-CE2 4.1Å; F33-F344 HydrophobicContact CZ-CD2 4.41Å
34P35.7Very low44.6Very low120 Ų12094.7 Ų94.778%0.77948%0.479SS*.THydrogen-bonded Turntrans-57.6118.1177.322.4-30.1000108.5D32D32-P34 WeakPolarHBondContact O-CD 3.43Å
35G41.6Very low45.2Very low62 Ų6287.8 Ų87.864%0.63945%0.454SS*.THydrogen-bonded Turntrans118-6.4179.900000116.5F33F33-G35 PolarHBondContact O-N 3.39Å
36L39.8Very low46.3Very low35 Ų3589.1 Ų89.118%0.18346%0.456CS..  trans-94.8-3.7-177.4-71.2-178.1000115.8F33 L303F33-L36 HydrophobicContact CB-CD1 3.59Å; F33-L36 HydrophobicContact CB-CG 3.99Å; F33-L36 HydrophobicContact CD2-CD1 3.57Å; F33-L36 HydrophobicContact CG-CD1 4.03Å; F33-L36 PolarHBondContact O-N 3.3Å; L36-L303 HydrophobicContact CD2-CB 4.26Å; L36-L303 WeakPolarHBondContact CD2-O 3.47Å
37T33.2Very low48.1Very low110 Ų11078.1 Ų78.168%0.67542%0.415SS*.  trans-110.6100.7-172.747.90000110.6
38R37.5Very low49.8Very low232 Ų23277.6 Ų77.688%0.87541%0.407SS*.SBendtrans-157.9-19.1154.3-113.3156.3-165.8-165.21.4120.3
39D46.5Very low51.6Low113 Ų11377.4 Ų77.460%0.60441%0.411SS*.SBendtrans-146.6139.4-179-74.6-61.2000113.8
40R50.5Low53.6Low118 Ų11878 Ų7845%0.44541%0.409SS..  trans49.6107.3-175.6-64-175.8-179.7177.21.4115.7Y42 Q74R40-Y42 HydrophobicContact CB-CD2 4.14Å; R40-Y42 HydrophobicContact CB-CE2 3.58Å; R40-Y42 PolarHBondContact O-N 3.15Å; R40-Y42 VanDerWaalsContact O-N 3.11Å; R40-Q74 VanDerWaalsContact NH2-CD 3.3Å; R40-Q74 VanDerWaalsContact NH2-OE1 3.09Å
41K61.5Low55.8Low100 Ų10077.9 Ų77.944%0.43540%0.404SS..  trans-82.295175.5-62.2-176-179.6177.20110.2F19 D56F19-K41 HydrophobicContact CD1-CB 4.16Å; F19-K41 HydrophobicContact CD1-CD 4.14Å; F19-K41 HydrophobicContact CE1-CB 3.55Å; F19-K41 HydrophobicContact CE1-CD 4Å; F19-K41 HydrophobicContact CE1-CG 4.32Å; F19-K41 HydrophobicContact CE2-CB 4.12Å; F19-K41 WeakPolarHBondContact CE2-O 3.35Å; F19-K41 HydrophobicContact CZ-CB 3.52Å; F19-K41 WeakPolarHBondContact CZ-O 3.49Å; K41-D56 HydrophobicContact CB-CB 4.39Å; K41-D56 PolarHBondContact O-N 3.29Å
42Y69.3Low58.1Low57 Ų5776.8 Ų76.822%0.22439%0.394CS..EExtended strand (participates in β ladder)trans-87.1139.9156-57.7-86.4000107.6R40 I55 V275 I276 L279R40-Y42 HydrophobicContact CB-CD2 4.14Å; R40-Y42 HydrophobicContact CB-CE2 3.58Å; R40-Y42 PolarHBondContact O-N 3.15Å; R40-Y42 VanDerWaalsContact O-N 3.11Å; Y42-I55 HydrophobicContact CD1-CD1 4.14Å; Y42-I55 HydrophobicContact CD1-CG1 3.89Å; Y42-I55 HydrophobicContact CD1-CG2 4.24Å; Y42-I55 HydrophobicContact CE1-CD1 3.95Å; Y42-I55 HydrophobicContact CE1-CG1 4.12Å; Y42-I55 HydrophobicContact CE1-CG2 3.95Å; Y42-V275 HydrophobicContact CE2-CG1 4.36Å; Y42-I276 HydrophobicContact CE1-CG1 4.33Å; Y42-L279 HydrophobicContact CD1-CD1 3.28Å; Y42-L279 HydrophobicContact CD2-CD1 4.25Å; Y42-L279 HydrophobicContact CE1-CD1 3.67Å; Y42-L279 HydrophobicContact CG-CD1 3.61Å
43G68.4Low60.1Low10 Ų1071.8 Ų71.810%0.10337%0.368CS..EExtended strand (participates in β ladder)trans-151.4134.6177.600000111.1C54G43-C54 PolarHBondContact N-O 3.46Å; G43-C54 WeakPolarHBondContact O-CB 3.24Å; G43-C54 PolarHBondContact O-N 2.89Å
44R72.2Confident61.9Low54 Ų5469.3 Ų69.320%0.20436%0.357CS..EExtended strand (participates in β ladder)trans-72133.7171.7177.9173.7150.6168.9-3.3109.3T23 E51 S312T23-R44 WeakPolarHBondContact CA-O 3.23Å; R44-E51 IonicContact CZ-OE1 3.04Å; R44-E51 IonicContact CZ-OE2 3.74Å; R44-E51 IonicContact NE-OE1 3.74Å; R44-E51 IonicContact NE-OE2 2.83Å; R44-E51 PolarHBondContact NE-OE2 2.72Å; R44-E51 IonicContact NH1-OE1 2.71Å; R44-E51 IonicContact NH1-OE2 3.19Å; R44-E51 PolarHBondContact NH1-OE2 3.11Å; R44-E51 IonicContact NH2-OE1 2.8Å; R44-E51 PolarHBondContact NH2-OE1 2.83Å; R44-E51 IonicContact NH2-OE2 3.73Å; R44-E51 PolarHBondContact NH2-OE2 2.91Å; R44-S312 PolarHBondContact NH1-O 3.48Å
45A75.8Confident64Low4 Ų464 Ų643%0.03332%0.322CS..EExtended strand (participates in β ladder)trans-125.1153.2171.900000109.2L22 E51 F52L22-A45 HydrophobicContact CB-CB 4.3Å; L22-A45 WeakPolarHBondContact O-CB 3.48Å; A45-E51 WeakPolarHBondContact O-CA 3.41Å; A45-F52 HydrophobicContact CB-CD1 4.13Å; A45-F52 HydrophobicContact CB-CD2 4.04Å; A45-F52 HydrophobicContact CB-CE1 3.58Å; A45-F52 HydrophobicContact CB-CE2 3.5Å; A45-F52 HydrophobicContact CB-CG 4.34Å; A45-F52 HydrophobicContact CB-CZ 3.25Å; A45-F52 PolarHBondContact N-O 3.05Å; A45-F52 PolarHBondContact O-N 3.21Å
46E73.7Confident65.6Low93 Ų9361.4 Ų61.444%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-134.5130.6-178.8-171.3-169.5145.900109R50E46-R50 WeakPolarHBondContact CA-O 3.49Å
47I74.2Confident67.1Low6 Ų660.4 Ų60.43%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-130.9127.9170.8-179.4161.5000109.9G49 R50 F52 L155 E156 L160I47-G49 PolarHBondContact O-N 2.85Å; I47-R50 PolarHBondContact N-O 2.87Å; I47-R50 WeakPolarHBondContact O-CA 3.33Å; I47-R50 PolarHBondContact O-N 3.09Å; I47-F52 HydrophobicContact CG2-CD1 4.26Å; I47-F52 HydrophobicContact CG2-CE1 3.95Å; I47-L155 HydrophobicContact CD1-CB 3.22Å; I47-L155 HydrophobicContact CD1-CD1 4.33Å; I47-L155 HydrophobicContact CD1-CG 4.32Å; I47-E156 HydrophobicContact CD1-CG 3.91Å; I47-L160 HydrophobicContact CD1-CD1 4.02Å; I47-L160 HydrophobicContact CD1-CG 4.07Å; I47-L160 HydrophobicContact CG1-CD1 4.18Å; I47-L160 HydrophobicContact CG1-CD2 4.27Å; I47-L160 HydrophobicContact CG1-CG 4.24Å; I47-L160 HydrophobicContact CG2-CD2 3.8Å; I47-L160 HydrophobicContact CG2-CG 4.29Å
48E70.7Confident68.2Low146 Ų14656.3 Ų56.368%0.68227%0.268SS*.THydrogen-bonded Turntrans46.438.1177.6-60.1-160.7152.400114.5R50 L160E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 2.89Å; E48-L160 HydrophobicContact CB-CD1 4.42Å; E48-L160 HydrophobicContact CG-CD1 4.16Å; E48-L160 WeakPolarHBondContact OE2-CD1 3.47Å
49G66.5Low68.8Low55 Ų5547.1 Ų47.157%0.56725%0.245SC*.THydrogen-bonded Turntrans82.6-3.8-17900000115.2I47I47-G49 PolarHBondContact O-N 2.85Å
50R71Confident68.5Low85 Ų8544.3 Ų44.332%0.32123%0.23SC..EExtended strand (participates in β ladder)trans-94.4129.4172.8-57.4-169.4-173.6-158.65.2111.4E46 I47 E48 M163 E164E46-R50 WeakPolarHBondContact CA-O 3.49Å; I47-R50 PolarHBondContact N-O 2.87Å; I47-R50 WeakPolarHBondContact O-CA 3.33Å; I47-R50 PolarHBondContact O-N 3.09Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 2.89Å; R50-M163 HydrophobicContact CB-CE 3.57Å; R50-M163 HydrophobicContact CG-CE 4.49Å; R50-M163 PolarHBondContact NH1-O 2.67Å; R50-E164 VanDerWaalsContact CZ-CG 3.42Å; R50-E164 IonicContact CZ-OE1 2.8Å; R50-E164 IonicContact NH2-OE1 3.06Å; R50-E164 PolarHBondContact NH2-OE1 3.18Å
51E75.3Confident68.1Low54 Ų5445.9 Ų45.925%0.25225%0.247SC..EExtended strand (participates in β ladder)trans-90.3145.4178.6-58.3-178.5-173.100110.1V2 R44 A45V2-E51 HydrophobicContact CG1-CB 4.39Å; V2-E51 WeakPolarHBondContact CG1-O 3.42Å; R44-E51 IonicContact CZ-OE1 3.04Å; R44-E51 IonicContact CZ-OE2 3.74Å; R44-E51 IonicContact NE-OE1 3.74Å; R44-E51 IonicContact NE-OE2 2.83Å; R44-E51 PolarHBondContact NE-OE2 2.72Å; R44-E51 IonicContact NH1-OE1 2.71Å; R44-E51 IonicContact NH1-OE2 3.19Å; R44-E51 PolarHBondContact NH1-OE2 3.11Å; R44-E51 IonicContact NH2-OE1 2.8Å; R44-E51 PolarHBondContact NH2-OE1 2.83Å; R44-E51 IonicContact NH2-OE2 3.73Å; R44-E51 PolarHBondContact NH2-OE2 2.91Å; A45-E51 WeakPolarHBondContact O-CA 3.41Å
52F80.4Confident66.7Low2 Ų243.7 Ų43.71%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-148.3152.1169.767.4-88.2000111P3 V5 A45 I47 C54 L155 M163P3-F52 HydrophobicContact CG-CB 4.04Å; P3-F52 WeakPolarHBondContact O-CA 3.45Å; P3-F52 WeakPolarHBondContact O-CB 3.34Å; V5-F52 HydrophobicContact CB-CD2 4.12Å; V5-F52 HydrophobicContact CB-CE2 4.42Å; V5-F52 HydrophobicContact CG2-CD2 3.66Å; V5-F52 HydrophobicContact CG2-CE2 4.2Å; V5-F52 HydrophobicContact CG2-CG 4.35Å; A45-F52 HydrophobicContact CB-CD1 4.13Å; A45-F52 HydrophobicContact CB-CD2 4.04Å; A45-F52 HydrophobicContact CB-CE1 3.58Å; A45-F52 HydrophobicContact CB-CE2 3.5Å; A45-F52 HydrophobicContact CB-CG 4.34Å; A45-F52 HydrophobicContact CB-CZ 3.25Å; A45-F52 PolarHBondContact N-O 3.05Å; A45-F52 PolarHBondContact O-N 3.21Å; I47-F52 HydrophobicContact CG2-CD1 4.26Å; I47-F52 HydrophobicContact CG2-CE1 3.95Å; F52-C54 HydrophobicContact CE2-CB 4.35Å; F52-L155 HydrophobicContact CE1-CD2 4.22Å; F52-L155 HydrophobicContact CZ-CD2 3.78Å; F52-M163 HydrophobicContact CB-CE 4.27Å; F52-M163 HydrophobicContact CB-SD 4.39Å; F52-M163 HydrophobicContact CD1-SD 4.44Å
53I77.3Confident65.1Low0 Ų046.6 Ų46.60%028%0.277CS..EExtended strand (participates in β ladder)trans-92.4121.6177.7-59.7174000108.7V2 P3 V4 V5 I55 L279 Q280 E283 F308V2-I53 HydrophobicContact CG1-CG1 4.19Å; P3-I53 PolarHBondContact O-N 2.83Å; V4-I53 WeakPolarHBondContact CA-O 3.34Å; V4-I53 HydrophobicContact CG2-CB 4.29Å; V4-I53 HydrophobicContact CG2-CD1 4.38Å; V5-I53 PolarHBondContact N-O 2.64Å; I53-I55 HydrophobicContact CG2-CG1 4.3Å; I53-L279 HydrophobicContact CD1-CB 3.99Å; I53-Q280 HydrophobicContact CD1-CG 4.09Å; I53-E283 HydrophobicContact CD1-CG 4.48Å; I53-E283 VanDerWaalsContact CD1-OE2 3.28Å; I53-E283 WeakPolarHBondContact CD1-OE2 3.44Å; I53-E283 WeakPolarHBondContact CG1-OE1 3.34Å; I53-E283 WeakPolarHBondContact CG1-OE2 3.43Å; I53-F308 HydrophobicContact CD1-CZ 4.36Å
54C79.5Confident63.6Low0 Ų054.2 Ų54.20%031%0.31CS..EExtended strand (participates in β ladder)trans-97138.2173.7-164.60000110.8V5 F19 T23 G43 F52V5-C54 WeakPolarHBondContact O-CA 3.47Å; F19-C54 HydrophobicContact CD2-CB 4.2Å; F19-C54 HydrophobicContact CE2-CB 4.11Å; F19-C54 WeakPolarHBondContact CE2-O 3.29Å; T23-C54 HydrophobicContact CG2-CB 4.18Å; G43-C54 PolarHBondContact N-O 3.46Å; G43-C54 WeakPolarHBondContact O-CB 3.24Å; G43-C54 PolarHBondContact O-N 2.89Å; F52-C54 HydrophobicContact CE2-CB 4.35Å
55I78.8Confident62Low7 Ų760.3 Ų60.34%0.03635%0.346CS..EExtended strand (participates in β ladder)trans-125120.1-179.5-50.9-174.6000110.2V4 V5 L7 Y42 I53 A78 I276V4-I55 HydrophobicContact CG1-CD1 3.34Å; V4-I55 HydrophobicContact CG1-CG1 3.98Å; V5-I55 PolarHBondContact O-N 3.33Å; L7-I55 PolarHBondContact N-O 3.5Å; Y42-I55 HydrophobicContact CD1-CD1 4.14Å; Y42-I55 HydrophobicContact CD1-CG1 3.89Å; Y42-I55 HydrophobicContact CD1-CG2 4.24Å; Y42-I55 HydrophobicContact CE1-CD1 3.95Å; Y42-I55 HydrophobicContact CE1-CG1 4.12Å; Y42-I55 HydrophobicContact CE1-CG2 3.95Å; I53-I55 HydrophobicContact CG2-CG1 4.3Å; I55-A78 HydrophobicContact CG2-CB 4.29Å; I55-I276 HydrophobicContact CD1-CD1 3.09Å; I55-I276 HydrophobicContact CD1-CG1 3.69Å
56D76.7Confident60.6Low8 Ų862.7 Ų62.74%0.04337%0.372CS..EExtended strand (participates in β ladder)trans-91.9109171.5-171.20.1000111.2K15 S16 F19 K41 G58K15-D56 WeakPolarHBondContact CB-OD1 3.25Å; S16-D56 VanDerWaalsContact CA-OD2 3.28Å; S16-D56 WeakPolarHBondContact CA-OD2 3.47Å; S16-D56 WeakPolarHBondContact CB-OD2 3.35Å; S16-D56 PolarHBondContact N-OD2 3.42Å; S16-D56 PolarHBondContact OG-OD2 3.06Å; F19-D56 HydrophobicContact CB-CB 4.31Å; F19-D56 HydrophobicContact CD2-CB 3.83Å; F19-D56 HydrophobicContact CE2-CB 4.4Å; F19-D56 HydrophobicContact CG-CB 4.07Å; K41-D56 HydrophobicContact CB-CB 4.39Å; K41-D56 PolarHBondContact O-N 3.29Å; D56-G58 PolarHBondContact O-N 2.92Å; D56-G58 PolarHBondContact OD1-N 3.37Å
57T69.3Low59.5Low15 Ų1560.3 Ų60.39%0.09236%0.363CS..THydrogen-bonded Turntrans-73.9-8.1178.160.50000114.2L7 V8 K15 A78L7-T57 WeakPolarHBondContact O-CB 3.36Å; L7-T57 WeakPolarHBondContact O-CG2 3.13Å; L7-T57 PolarHBondContact O-N 2.9Å; L7-T57 PolarHBondContact O-OG1 2.82Å; V8-T57 HydrophobicContact CG2-CG2 4.1Å; K15-T57 PolarHBondContact NZ-OG1 3.05Å; T57-A78 HydrophobicContact CG2-CB 3.4Å; T57-A78 VanDerWaalsContact CG2-CB 3.4Å
58G58Low58.2Low24 Ų2468.2 Ų68.225%0.24740%0.4CS..THydrogen-bonded Turntrans-92.3-2.3-171.400000116.8K15 D56 I60K15-G58 VanDerWaalsContact NZ-CA 3.33Å; D56-G58 PolarHBondContact O-N 2.92Å; D56-G58 PolarHBondContact OD1-N 3.37Å; G58-I60 PolarHBondContact O-N 3.44Å; G58-I60 VanDerWaalsContact O-N 3.14Å
59G49.9Very low57.3Low38 Ų3865.9 Ų65.939%0.39240%0.396SS..  trans-83.425.4-160.200000118.4
60I40.1Very low56.4Low54 Ų5472 Ų7228%0.27740%0.402SS..SBendtrans-109.4108.5173.7-16169000107.7G58 G62 M71 Q74G58-I60 PolarHBondContact O-N 3.44Å; G58-I60 VanDerWaalsContact O-N 3.14Å; I60-G62 PolarHBondContact O-N 3.21Å; I60-G62 VanDerWaalsContact O-N 3.17Å; I60-M71 HydrophobicContact CB-CE 4.37Å; I60-M71 HydrophobicContact CD1-CG 4.35Å; I60-M71 WeakPolarHBondContact O-CE 3.45Å; I60-Q74 HydrophobicContact CD1-CB 4.42Å; I60-Q74 HydrophobicContact CD1-CG 4.25Å
61D41Very low55.5Low151 Ų15169.7 Ų69.781%0.80740%0.395SS*.  trans-59.2120.9178.9-79.3-31000110.2T63D61-T63 PolarHBondContact O-N 3.03Å
62G33.7Very low54.5Low55 Ų5569.4 Ų69.457%0.56740%0.402SS*.  trans-76.558-175.600000113.8I60I60-G62 PolarHBondContact O-N 3.21Å; I60-G62 VanDerWaalsContact O-N 3.17Å
63T34.6Very low53.6Low117 Ų11774.1 Ų74.172%0.71842%0.424SS*.  trans-99.877.4168.8560000109.4D61D61-T63 PolarHBondContact O-N 3.03Å
64E36.1Very low52.5Low171 Ų17177.1 Ų77.180%0.79944%0.438SS*.SBendtrans164.5141.8150.9-92.3165.6-164.100110.4G66 V67E64-G66 PolarHBondContact O-N 3.5Å; E64-V67 WeakPolarHBondContact O-CG2 3.28Å
65D38.8Very low51.8Low181 Ų18178.2 Ų78.297%0.96845%0.446SS*.THydrogen-bonded Turntrans-54.3122.7178.1-69.1-49.3000111.2
66G47.2Very low51.2Low55 Ų5580.1 Ų80.157%0.56746%0.456SS*.THydrogen-bonded Turntrans119.72.6-177.500000115.7E64 E68E64-G66 PolarHBondContact O-N 3.5Å; G66-E68 VanDerWaalsContact C-N 3.32Å; G66-E68 PolarHBondContact O-N 3.46Å
67V50.2Low50.7Low42 Ų4281.6 Ų81.626%0.25546%0.463SS..Hα-helixtrans-63-30-178.1167.50000113.6E64 T69 R70 M71E64-V67 WeakPolarHBondContact O-CG2 3.28Å; V67-T69 PolarHBondContact O-N 3.38Å; V67-R70 PolarHBondContact O-N 2.99Å; V67-M71 HydrophobicContact CG1-CE 4.04Å; V67-M71 HydrophobicContact CG1-CG 3.56Å; V67-M71 HydrophobicContact CG1-SD 3.39Å; V67-M71 WeakPolarHBondContact CG1-SD 3.21Å; V67-M71 VanDerWaalsContact O-CB 3.23Å; V67-M71 WeakPolarHBondContact O-CB 3.5Å; V67-M71 VanDerWaalsContact O-CG 3.29Å; V67-M71 WeakPolarHBondContact O-CG 3.33Å; V67-M71 PolarHBondContact O-N 3.23Å
68E48Very low50.6Low172 Ų17281.4 Ų81.480%0.80446%0.463SS*.Hα-helixtrans-62.6-43.8-174-65.8-17516800113.5G66 A72G66-E68 VanDerWaalsContact C-N 3.32Å; G66-E68 PolarHBondContact O-N 3.46Å; E68-A72 WeakPolarHBondContact O-CB 3.31Å; E68-A72 PolarHBondContact O-N 3.28Å
69T50.6Low51.3Low97 Ų9780.5 Ų80.560%0.59545%0.453SS*.Hα-helixtrans-69.6-42.2-178.6-42.10000111.5V67 A72 E73V67-T69 PolarHBondContact O-N 3.38Å; T69-A72 PolarHBondContact O-N 2.97Å; T69-E73 PolarHBondContact O-N 2.74Å
70R48.2Very low52.4Low183 Ų18381.5 Ų81.569%0.69145%0.447SS*.Hα-helixtrans-71.4-36178.1-70.9-170.5-178.5151.51.5112.4V67 A72 E73 Q74V67-R70 PolarHBondContact O-N 2.99Å; R70-A72 VanDerWaalsContact C-N 3.33Å; R70-E73 PolarHBondContact O-N 3.45Å; R70-Q74 WeakPolarHBondContact O-CG 3.27Å; R70-Q74 PolarHBondContact O-N 2.85Å
71M51Low53.8Low38 Ų3880.4 Ų80.419%0.18744%0.441CS..Hα-helixtrans-64.7-39.7173.6-82.1-166.9144.300111.9I60 V67 S75I60-M71 HydrophobicContact CB-CE 4.37Å; I60-M71 HydrophobicContact CD1-CG 4.35Å; I60-M71 WeakPolarHBondContact O-CE 3.45Å; V67-M71 HydrophobicContact CG1-CE 4.04Å; V67-M71 HydrophobicContact CG1-CG 3.56Å; V67-M71 HydrophobicContact CG1-SD 3.39Å; V67-M71 WeakPolarHBondContact CG1-SD 3.21Å; V67-M71 VanDerWaalsContact O-CB 3.23Å; V67-M71 WeakPolarHBondContact O-CB 3.5Å; V67-M71 VanDerWaalsContact O-CG 3.29Å; V67-M71 WeakPolarHBondContact O-CG 3.33Å; V67-M71 PolarHBondContact O-N 3.23Å; M71-S75 WeakPolarHBondContact O-CB 2.94Å; M71-S75 PolarHBondContact O-N 2.86Å; M71-S75 PolarHBondContact O-OG 3.41Å
72A55.4Low55.5Low47 Ų4773.2 Ų73.239%0.38840%0.403SS..Hα-helixtrans-61.1-54.3174.300000110.3E68 T69 R70 Q74 S75 L76E68-A72 WeakPolarHBondContact O-CB 3.31Å; E68-A72 PolarHBondContact O-N 3.28Å; T69-A72 PolarHBondContact O-N 2.97Å; R70-A72 VanDerWaalsContact C-N 3.33Å; A72-Q74 VanDerWaalsContact C-N 3.29Å; A72-Q74 PolarHBondContact O-N 3.05Å; A72-S75 PolarHBondContact O-N 2.89Å; A72-L76 VanDerWaalsContact O-CB 3.31Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 WeakPolarHBondContact O-CD1 3.28Å; A72-L76 WeakPolarHBondContact O-CG 3.36Å; A72-L76 PolarHBondContact O-N 2.79Å
73E60.3Low57.7Low101 Ų10173.2 Ų73.247%0.47239%0.39SS..Hα-helixtrans-54.8-42.4178.8-74.2-179.2-170.800113.1T69 R70 L76 L77T69-E73 PolarHBondContact O-N 2.74Å; R70-E73 PolarHBondContact O-N 3.45Å; E73-L76 WeakPolarHBondContact O-CB 3.33Å; E73-L76 PolarHBondContact O-N 2.89Å; E73-L77 WeakPolarHBondContact O-CG 3.3Å; E73-L77 PolarHBondContact O-N 3.44Å; E73-L77 VanDerWaalsContact O-N 3.12Å
74Q56.2Low60.2Low64 Ų6467.7 Ų67.730%0.29936%0.355SS..Hα-helixtrans-71.6-38.8179.5-68.3-165.427.300113.3R40 I60 R70 A72 L76 L77 A78R40-Q74 VanDerWaalsContact NH2-CD 3.3Å; R40-Q74 VanDerWaalsContact NH2-OE1 3.09Å; I60-Q74 HydrophobicContact CD1-CB 4.42Å; I60-Q74 HydrophobicContact CD1-CG 4.25Å; R70-Q74 WeakPolarHBondContact O-CG 3.27Å; R70-Q74 PolarHBondContact O-N 2.85Å; A72-Q74 VanDerWaalsContact C-N 3.29Å; A72-Q74 PolarHBondContact O-N 3.05Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; Q74-L77 PolarHBondContact O-N 2.68Å; Q74-A78 PolarHBondContact O-N 3.01Å
75S62.9Low62.6Low22 Ų2259.5 Ų59.515%0.15432%0.317CS..Hα-helixtrans-65.7-37.3174.6-57.90000111.1M71 A72 A78 I79M71-S75 WeakPolarHBondContact O-CB 2.94Å; M71-S75 PolarHBondContact O-N 2.86Å; M71-S75 PolarHBondContact O-OG 3.41Å; A72-S75 PolarHBondContact O-N 2.89Å; S75-A78 PolarHBondContact O-N 2.6Å; S75-I79 WeakPolarHBondContact O-CD1 3.26Å; S75-I79 WeakPolarHBondContact O-CG1 3.44Å; S75-I79 PolarHBondContact O-N 3.46Å
76L67.8Low65Low48 Ų4850.9 Ų50.925%0.25127%0.271SS..Hα-helixtrans-62.4-44.8177.3-72.6168000111.9A72 E73 Q74 I79 E80 H105A72-L76 VanDerWaalsContact O-CB 3.31Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 WeakPolarHBondContact O-CD1 3.28Å; A72-L76 WeakPolarHBondContact O-CG 3.36Å; A72-L76 PolarHBondContact O-N 2.79Å; E73-L76 WeakPolarHBondContact O-CB 3.33Å; E73-L76 PolarHBondContact O-N 2.89Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; L76-I79 WeakPolarHBondContact O-CB 3.19Å; L76-I79 PolarHBondContact O-N 3.12Å; L76-E80 WeakPolarHBondContact O-CG 3.22Å; L76-E80 PolarHBondContact O-N 2.84Å; L76-H105 WeakPolarHBondContact CD2-CD2 3.4Å; L76-H105 WeakPolarHBondContact CD2-CE1 3.28Å; L76-H105 WeakPolarHBondContact CD2-NE2 3.34Å
77L66.4Low67Low38 Ų3848.3 Ų48.320%0.19924%0.244CC..Hα-helixtrans-62.7-44.1176.9-70.1166.1000111.6E73 Q74 I79 E80 E81 K272E73-L77 WeakPolarHBondContact O-CG 3.3Å; E73-L77 PolarHBondContact O-N 3.44Å; E73-L77 VanDerWaalsContact O-N 3.12Å; Q74-L77 PolarHBondContact O-N 2.68Å; L77-I79 VanDerWaalsContact C-N 3.29Å; L77-I79 PolarHBondContact O-N 3.47Å; L77-E80 PolarHBondContact O-N 2.88Å; L77-E81 WeakPolarHBondContact O-CG 3.38Å; L77-E81 PolarHBondContact O-N 3.25Å; L77-K272 HydrophobicContact CD1-CB 4.41Å; L77-K272 HydrophobicContact CD1-CD 3.78Å; L77-K272 HydrophobicContact CD2-CB 4.41Å
78A65.6Low68.9Low11 Ų1146.3 Ų46.39%0.09123%0.232CC..Hα-helixtrans-63.8-35.617700000112.4I55 T57 Q74 S75 A82I55-A78 HydrophobicContact CG2-CB 4.29Å; T57-A78 HydrophobicContact CG2-CB 3.4Å; T57-A78 VanDerWaalsContact CG2-CB 3.4Å; Q74-A78 PolarHBondContact O-N 3.01Å; S75-A78 PolarHBondContact O-N 2.6Å; A78-A82 WeakPolarHBondContact O-CB 3.35Å; A78-A82 PolarHBondContact O-N 2.65Å
79I74.3Confident71Confident6 Ų638.1 Ų38.13%0.03119%0.194CC..Hα-helixtrans-64.7-47.5172.2-70.4158.2000110.3V8 S75 L76 L77 E81 A82 V85 L106 K111V8-I79 HydrophobicContact CG1-CD1 3.93Å; V8-I79 HydrophobicContact CG1-CG1 4.37Å; V8-I79 HydrophobicContact CG2-CD1 4.02Å; V8-I79 HydrophobicContact CG2-CG1 3.54Å; S75-I79 WeakPolarHBondContact O-CD1 3.26Å; S75-I79 WeakPolarHBondContact O-CG1 3.44Å; S75-I79 PolarHBondContact O-N 3.46Å; L76-I79 WeakPolarHBondContact O-CB 3.19Å; L76-I79 PolarHBondContact O-N 3.12Å; L77-I79 VanDerWaalsContact C-N 3.29Å; L77-I79 PolarHBondContact O-N 3.47Å; I79-E81 PolarHBondContact O-N 2.97Å; I79-A82 PolarHBondContact O-N 3.15Å; I79-V85 HydrophobicContact CG1-CG2 4.42Å; I79-V85 HydrophobicContact CG2-CG2 4.18Å; I79-L106 HydrophobicContact CD1-CD2 3.71Å; I79-L106 HydrophobicContact CG1-CD2 3.9Å; I79-L106 HydrophobicContact CG2-CD2 3.77Å; I79-K111 HydrophobicContact CG2-CD 4.38Å; I79-K111 WeakPolarHBondContact O-CD 3.39Å; I79-K111 WeakPolarHBondContact O-CE 3.39Å; I79-K111 PolarHBondContact O-NZ 3.33Å
80E73.1Confident72.9Confident59 Ų5934.4 Ų34.428%0.27617%0.17SC..Hα-helixtrans-64.7-26.1-177.5-78.1-174.317200113.6L76 L77 R109 K111 F273L76-E80 WeakPolarHBondContact O-CG 3.22Å; L76-E80 PolarHBondContact O-N 2.84Å; L77-E80 PolarHBondContact O-N 2.88Å; E80-R109 IonicContact OE1-CZ 3.5Å; E80-R109 IonicContact OE1-NH1 2.66Å; E80-R109 PolarHBondContact OE1-NH1 3.09Å; E80-R109 IonicContact OE1-NH2 3.58Å; E80-R109 PolarHBondContact OE1-NH2 2.85Å; E80-K111 PolarHBondContact O-NZ 3.25Å; E80-F273 HydrophobicContact CB-CE1 4.43Å; E80-F273 WeakPolarHBondContact OE2-CZ 3.42Å
81E67.8Low74.8Confident31 Ų3126.1 Ų26.115%0.14514%0.141CC..Hα-helixtrans-100.2-18.9-178.8-67.3175.2-155.300113.9L77 I79 F273 I276L77-E81 WeakPolarHBondContact O-CG 3.38Å; L77-E81 PolarHBondContact O-N 3.25Å; I79-E81 PolarHBondContact O-N 2.97Å; E81-F273 HydrophobicContact CG-CD1 3.9Å; E81-F273 HydrophobicContact CG-CE1 4.36Å; E81-F273 WeakPolarHBondContact OE1-CA 3.49Å; E81-I276 HydrophobicContact CB-CB 4.39Å; E81-I276 HydrophobicContact CB-CD1 3.43Å; E81-I276 VanDerWaalsContact CB-CD1 3.43Å; E81-I276 HydrophobicContact CB-CG1 4.41Å; E81-I276 HydrophobicContact CG-CD1 4.33Å; E81-I276 WeakPolarHBondContact OE2-CB 3.39Å; E81-I276 WeakPolarHBondContact OE2-CD1 3.34Å; E81-I276 VanDerWaalsContact OE2-CG1 3.28Å; E81-I276 WeakPolarHBondContact OE2-CG1 3.44Å
82A76.9Confident76.5Confident0 Ų031.5 Ų31.50%016%0.16CC..  trans-78.1144.2177.900000112.6V4 A6 A78 I79 K111V4-A82 HydrophobicContact CG1-CB 4.12Å; A6-A82 HydrophobicContact CB-CB 3.41Å; A6-A82 VanDerWaalsContact CB-CB 3.41Å; A78-A82 WeakPolarHBondContact O-CB 3.35Å; A78-A82 PolarHBondContact O-N 2.65Å; I79-A82 PolarHBondContact O-N 3.15Å; A82-K111 PolarHBondContact O-NZ 3.42Å
83D81Confident78Confident55 Ų5531.5 Ų31.529%0.29416%0.16SC..SBendtrans-79-35.1176.5-47-60.7000110.7P3 V4 W162P3-D83 WeakPolarHBondContact CA-OD2 3.48Å; V4-D83 PolarHBondContact N-OD2 3.08Å; V4-D83 PolarHBondContact O-N 3.38Å; D83-W162 HydrophobicContact CB-CH2 3.44Å; D83-W162 VanDerWaalsContact CB-CH2 3.44Å; D83-W162 HydrophobicContact CB-CZ2 4.22Å; D83-W162 HydrophobicContact CB-CZ3 4.36Å; D83-W162 VanDerWaalsContact O-CZ2 3.3Å; D83-W162 WeakPolarHBondContact O-CZ2 3.45Å
84V86.4Confident79.2Confident0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-121.4143.6170.8-171.50000111.3V4 V5 A6 L86 F114 L159 W162V4-V84 PolarHBondContact O-N 3.37Å; V4-V84 VanDerWaalsContact O-N 3.07Å; V5-V84 WeakPolarHBondContact CA-O 3.17Å; V5-V84 HydrophobicContact CG1-CB 4.47Å; V5-V84 HydrophobicContact CG2-CB 4.34Å; A6-V84 PolarHBondContact N-O 3.33Å; V84-L86 HydrophobicContact CG1-CD2 4.49Å; V84-F114 HydrophobicContact CG1-CD2 3.44Å; V84-F114 VanDerWaalsContact CG1-CD2 3.44Å; V84-F114 HydrophobicContact CG1-CE2 3.55Å; V84-L159 HydrophobicContact CB-CD2 4.34Å; V84-L159 HydrophobicContact CG1-CD2 3.97Å; V84-L159 HydrophobicContact CG2-CD2 4.18Å; V84-W162 HydrophobicContact CB-CH2 4.3Å; V84-W162 HydrophobicContact CB-CZ2 4.48Å; V84-W162 HydrophobicContact CB-CZ3 4.46Å; V84-W162 HydrophobicContact CG2-CD2 3.44Å; V84-W162 VanDerWaalsContact CG2-CD2 3.44Å; V84-W162 HydrophobicContact CG2-CE3 3.19Å; V84-W162 HydrophobicContact CG2-CG 4.42Å; V84-W162 HydrophobicContact CG2-CH2 3.04Å; V84-W162 HydrophobicContact CG2-CZ2 3.31Å; V84-W162 HydrophobicContact CG2-CZ3 3.03Å
85V87.6Confident80.7Confident0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-112.3121.5167.2-178.50000110.8V8 I79 L106 P112 T113 F114V8-V85 HydrophobicContact CB-CG1 3.8Å; V8-V85 HydrophobicContact CG2-CG1 3.57Å; I79-V85 HydrophobicContact CG1-CG2 4.42Å; I79-V85 HydrophobicContact CG2-CG2 4.18Å; V85-L106 HydrophobicContact CB-CD2 4.45Å; V85-L106 HydrophobicContact CG1-CD1 4.26Å; V85-L106 HydrophobicContact CG1-CD2 3.88Å; V85-L106 HydrophobicContact CG2-CD2 4.37Å; V85-P112 PolarHBondContact N-O 2.98Å; V85-T113 HydrophobicContact CB-CG2 3.87Å; V85-T113 HydrophobicContact CG1-CG2 4.42Å; V85-T113 HydrophobicContact CG2-CG2 4.43Å; V85-T113 CarbonylContact O-C 3.54Å; V85-T113 VanDerWaalsContact O-CA 3.31Å; V85-T113 WeakPolarHBondContact O-CA 3.35Å; V85-F114 PolarHBondContact O-N 3.05Å
86L88.6Confident81.8Confident0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-91.2103.6164.7-62.8-177.8000108.6V5 A6 L7 V8 V84 M88 F114 V116 L154 L159V5-L86 HydrophobicContact CG1-CD1 3.76Å; V5-L86 HydrophobicContact CG1-CG 3.7Å; A6-L86 PolarHBondContact O-N 2.69Å; L7-L86 HydrophobicContact CD2-CB 3.78Å; L7-L86 HydrophobicContact CD2-CD1 3.65Å; L7-L86 HydrophobicContact CD2-CG 4.23Å; V8-L86 PolarHBondContact N-O 3.36Å; V84-L86 HydrophobicContact CG1-CD2 4.49Å; L86-M88 PolarHBondContact O-N 3.29Å; L86-F114 HydrophobicContact CD2-CB 3.92Å; L86-F114 HydrophobicContact CD2-CD2 4.18Å; L86-V116 HydrophobicContact CB-CG2 4.24Å; L86-V116 HydrophobicContact CD2-CG2 4.21Å; L86-L154 HydrophobicContact CD1-CD2 4.03Å; L86-L159 HydrophobicContact CD1-CD1 4.24Å; L86-L159 HydrophobicContact CD2-CD2 4.48Å
87F89.8Confident82.5Confident0 Ų031.2 Ų31.20%017%0.169CC..EExtended strand (participates in β ladder)trans-86.9105.5178.1-179.7-139000110.3V8 V89 D99 I102 A103 L106 F114 L115 V116 L135 L137V8-F87 HydrophobicContact CG1-CD2 4.3Å; V8-F87 CarbonylContact O-C 3.58Å; V8-F87 WeakPolarHBondContact O-CA 3.37Å; F87-V89 HydrophobicContact CD1-CG1 4.44Å; F87-V89 HydrophobicContact CE1-CG1 3.91Å; F87-V89 HydrophobicContact CE2-CG1 4.38Å; F87-V89 HydrophobicContact CZ-CG1 3.87Å; F87-D99 HydrophobicContact CZ-CB 4.09Å; F87-D99 WeakPolarHBondContact CZ-O 3.31Å; F87-I102 HydrophobicContact CD2-CG2 3.82Å; F87-I102 HydrophobicContact CE2-CB 3.85Å; F87-I102 HydrophobicContact CE2-CD1 4.33Å; F87-I102 HydrophobicContact CE2-CG2 3.37Å; F87-I102 HydrophobicContact CZ-CB 4.03Å; F87-I102 HydrophobicContact CZ-CG2 3.92Å; F87-A103 HydrophobicContact CE1-CB 3.95Å; F87-L106 HydrophobicContact CB-CD1 3.74Å; F87-L106 HydrophobicContact CD1-CD1 4.06Å; F87-L106 HydrophobicContact CD2-CD1 3.99Å; F87-L106 HydrophobicContact CG-CD1 3.66Å; F87-F114 PolarHBondContact N-O 2.71Å; F87-L115 HydrophobicContact CD1-CD1 3.57Å; F87-L115 HydrophobicContact CE1-CD1 4Å; F87-L115 HydrophobicContact CG-CD1 4.32Å; F87-V116 PolarHBondContact O-N 3.33Å; F87-L135 HydrophobicContact CE1-CD1 4.02Å; F87-L137 HydrophobicContact CD1-CD1 3.54Å; F87-L137 HydrophobicContact CE1-CD1 4Å
88M90Very high83.2Confident0 Ų031.4 Ų31.40%018%0.176CC..EExtended strand (participates in β ladder)trans-89.6128.6-178.1-66-168.768.300112.5V8 G9 V13 K15 L18 L86 V116 N118 I143V8-M88 PolarHBondContact O-N 2.66Å; G9-M88 WeakPolarHBondContact CA-O 3.34Å; V13-M88 HydrophobicContact CB-CB 4.43Å; V13-M88 HydrophobicContact CG2-CB 3.71Å; K15-M88 HydrophobicContact CB-SD 4.35Å; K15-M88 HydrophobicContact CG-SD 4.12Å; L18-M88 HydrophobicContact CB-CE 3.92Å; L18-M88 HydrophobicContact CB-SD 3.88Å; L18-M88 HydrophobicContact CD2-CE 3.92Å; L18-M88 HydrophobicContact CD2-CG 4.3Å; L18-M88 HydrophobicContact CD2-SD 3.48Å; L18-M88 WeakPolarHBondContact CD2-SD 3.37Å; L18-M88 HydrophobicContact CG-SD 4.32Å; L86-M88 PolarHBondContact O-N 3.29Å; M88-V116 WeakPolarHBondContact CA-O 3.47Å; M88-V116 HydrophobicContact CG-CB 4.24Å; M88-V116 HydrophobicContact CG-CG1 4.46Å; M88-N118 HydrophobicContact CE-CB 3.74Å; M88-I143 HydrophobicContact CE-CD1 4.29Å
89V90.2Very high84.1Confident0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-121.1159.2173.2-62.80000110.7F87 D99 L115 V116 A117 N118 F132 L135F87-V89 HydrophobicContact CD1-CG1 4.44Å; F87-V89 HydrophobicContact CE1-CG1 3.91Å; F87-V89 HydrophobicContact CE2-CG1 4.38Å; F87-V89 HydrophobicContact CZ-CG1 3.87Å; V89-D99 HydrophobicContact CG1-CB 4.41Å; V89-L115 HydrophobicContact CB-CD1 4.45Å; V89-L115 HydrophobicContact CG1-CD1 3.71Å; V89-L115 HydrophobicContact CG2-CD1 3.87Å; V89-V116 PolarHBondContact N-O 3.27Å; V89-A117 HydrophobicContact CG2-CB 4.07Å; V89-N118 PolarHBondContact O-N 3.37Å; V89-F132 HydrophobicContact CB-CD1 4Å; V89-F132 HydrophobicContact CB-CE1 3.66Å; V89-F132 HydrophobicContact CB-CZ 4.2Å; V89-F132 HydrophobicContact CG1-CD1 4.29Å; V89-F132 HydrophobicContact CG1-CE1 4.28Å; V89-F132 HydrophobicContact CG2-CD1 3.63Å; V89-F132 HydrophobicContact CG2-CD2 4.23Å; V89-F132 HydrophobicContact CG2-CE1 3.59Å; V89-F132 HydrophobicContact CG2-CE2 4.21Å; V89-F132 HydrophobicContact CG2-CG 3.96Å; V89-F132 HydrophobicContact CG2-CZ 3.89Å; V89-L135 HydrophobicContact CG1-CD1 4.45Å
90D90.8Very high84.6Confident19 Ų1935.4 Ų35.410%0.10219%0.192CC..EExtended strand (participates in β ladder)trans-98.3106.4178.7-175.6-11.8000110.8V13 R92 A93 G94 K119 F132V13-D90 HydrophobicContact CG1-CB 4.18Å; D90-R92 PolarHBondContact O-N 3.02Å; D90-R92 VanDerWaalsContact O-N 3.15Å; D90-R92 WeakPolarHBondContact OD1-CB 3.47Å; D90-R92 PolarHBondContact OD1-N 3.42Å; D90-A93 HydrophobicContact CB-CB 3.95Å; D90-A93 PolarHBondContact O-N 3.47Å; D90-A93 VanDerWaalsContact O-N 3.15Å; D90-A93 PolarHBondContact OD1-N 2.81Å; D90-G94 PolarHBondContact O-N 2.94Å; D90-G94 VanDerWaalsContact O-N 3.13Å; D90-K119 WeakPolarHBondContact OD1-CD 3.39Å; D90-K119 WeakPolarHBondContact OD2-CE 3.23Å; D90-K119 IonicContact OD2-NZ 3.6Å; D90-K119 PolarHBondContact OD2-NZ 3.2Å; D90-F132 WeakPolarHBondContact O-CZ 3.29Å
91A89.4Confident85Confident9 Ų935.6 Ų35.67%0.07420%0.204CC..THydrogen-bonded Turntrans-64.4-18.3-178.300000114.1A117 N118 T120 A128 F132A91-A117 HydrophobicContact CB-CB 4.28Å; A91-N118 WeakPolarHBondContact CB-O 3.35Å; A91-N118 PolarHBondContact N-O 3.15Å; A91-T120 HydrophobicContact CB-CG2 3.79Å; A91-A128 HydrophobicContact CB-CB 4.18Å; A91-F132 HydrophobicContact CB-CE2 4.35Å
92R86.6Confident85.7Confident152 Ų15236 Ų3657%0.57421%0.207SC*.THydrogen-bonded Turntrans-85.7-31.9175.6-68177.9172.2-160.2-9112.8D90 G94 K119 D121 L123D90-R92 PolarHBondContact O-N 3.02Å; D90-R92 VanDerWaalsContact O-N 3.15Å; D90-R92 WeakPolarHBondContact OD1-CB 3.47Å; D90-R92 PolarHBondContact OD1-N 3.42Å; R92-G94 VanDerWaalsContact C-N 3.35Å; R92-K119 HydrophobicContact CG-CB 4.07Å; R92-K119 WeakPolarHBondContact CG-O 3.31Å; R92-K119 PolarHBondContact NE-O 2.8Å; R92-D121 PolarHBondContact NH2-O 2.84Å; R92-L123 HydrophobicContact CG-CD1 3.84Å
93A85.7Confident86Confident47 Ų4736 Ų3639%0.38821%0.207SC..THydrogen-bonded Turntrans-79.9-23.8178.600000111.7D90 M96D90-A93 HydrophobicContact CB-CB 3.95Å; D90-A93 PolarHBondContact O-N 3.47Å; D90-A93 VanDerWaalsContact O-N 3.15Å; D90-A93 PolarHBondContact OD1-N 2.81Å; A93-M96 HydrophobicContact CB-CE 4.31Å; A93-M96 WeakPolarHBondContact O-CE 3.08Å
94G86.2Confident86.2Confident14 Ų1440.6 Ų40.614%0.14423%0.225CC..  trans75.3-169.1-171.300000111.6D90 R92 M96D90-G94 PolarHBondContact O-N 2.94Å; D90-G94 VanDerWaalsContact O-N 3.13Å; R92-G94 VanDerWaalsContact C-N 3.35Å; G94-M96 PolarHBondContact O-N 2.88Å
95L87.4Confident85.9Confident43 Ų4343.2 Ų43.223%0.22524%0.237CC..  trans-72.5123.7-179.2-17569.5000111.3D99 E100 D131 F132 S134 L135L95-D99 HydrophobicContact CD1-CB 4.23Å; L95-E100 HydrophobicContact CD1-CG 4.3Å; L95-E100 HydrophobicContact CD2-CG 4.22Å; L95-E100 HydrophobicContact CG-CG 4.3Å; L95-D131 HydrophobicContact CB-CB 4.31Å; L95-F132 HydrophobicContact CB-CE1 4.42Å; L95-F132 HydrophobicContact CD1-CD1 4.12Å; L95-F132 HydrophobicContact CD1-CE1 4.47Å; L95-S134 VanDerWaalsContact CD2-OG 3.29Å; L95-S134 WeakPolarHBondContact CD2-OG 3.4Å; L95-L135 HydrophobicContact CD1-CD1 3.93Å; L95-L135 HydrophobicContact CD1-CD2 3.61Å; L95-L135 HydrophobicContact CD1-CG 3.79Å
96M85.5Confident85.6Confident70 Ų7043.4 Ų43.435%0.34524%0.237SC..  trans-110.8152.8176.7-67.2-74.9146.400111.6A93 G94 A98 D99 E100A93-M96 HydrophobicContact CB-CE 4.31Å; A93-M96 WeakPolarHBondContact O-CE 3.08Å; G94-M96 PolarHBondContact O-N 2.88Å; M96-A98 PolarHBondContact O-N 3.16Å; M96-A98 VanDerWaalsContact O-N 3.1Å; M96-D99 WeakPolarHBondContact CB-OD2 3.47Å; M96-D99 PolarHBondContact N-OD2 2.77Å; M96-D99 WeakPolarHBondContact O-CA 3.39Å; M96-D99 WeakPolarHBondContact O-CB 3.04Å; M96-D99 PolarHBondContact O-N 2.88Å; M96-E100 PolarHBondContact O-N 2.94Å
97P82.7Confident85.3Confident101 Ų10149.3 Ų49.366%0.65626%0.26SS*.Hα-helixtrans-56.9-32.7-179.1-27.534.6000114.4D99 E100 A101P97-D99 VanDerWaalsContact C-N 3.27Å; P97-D99 PolarHBondContact O-N 2.8Å; P97-E100 PolarHBondContact O-N 3.4Å; P97-A101 PolarHBondContact O-N 3.28Å; P97-A101 VanDerWaalsContact O-N 3.09Å
98A80.9Confident84.8Confident42 Ų4253 Ų5335%0.34729%0.285SS..Hα-helixtrans-71.9-22.817700000112.7M96 I102M96-A98 PolarHBondContact O-N 3.16Å; M96-A98 VanDerWaalsContact O-N 3.1Å; A98-I102 WeakPolarHBondContact O-CD1 3.34Å; A98-I102 VanDerWaalsContact O-CG1 3.23Å; A98-I102 WeakPolarHBondContact O-CG1 3.21Å; A98-I102 PolarHBondContact O-N 3.09Å; A98-I102 VanDerWaalsContact O-N 3.11Å
99D84.9Confident84Confident0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-73.3-39.5173.8-57-33.5000110.2R10 F87 V89 L95 M96 P97 A101 I102 A103R10-D99 WeakPolarHBondContact CD-OD1 3.27Å; R10-D99 WeakPolarHBondContact CG-OD1 3.34Å; R10-D99 IonicContact CZ-OD1 2.74Å; R10-D99 IonicContact NE-OD1 3.04Å; R10-D99 VanDerWaalsContact NH1-N 3.19Å; R10-D99 IonicContact NH1-OD1 2.89Å; R10-D99 PolarHBondContact NH1-OD1 3.24Å; R10-D99 IonicContact NH1-OD2 3.23Å; R10-D99 PolarHBondContact NH1-OD2 2.83Å; F87-D99 HydrophobicContact CZ-CB 4.09Å; F87-D99 WeakPolarHBondContact CZ-O 3.31Å; V89-D99 HydrophobicContact CG1-CB 4.41Å; L95-D99 HydrophobicContact CD1-CB 4.23Å; M96-D99 WeakPolarHBondContact CB-OD2 3.47Å; M96-D99 PolarHBondContact N-OD2 2.77Å; M96-D99 WeakPolarHBondContact O-CA 3.39Å; M96-D99 WeakPolarHBondContact O-CB 3.04Å; M96-D99 PolarHBondContact O-N 2.88Å; P97-D99 VanDerWaalsContact C-N 3.27Å; P97-D99 PolarHBondContact O-N 2.8Å; D99-A101 VanDerWaalsContact C-N 3.33Å; D99-A101 PolarHBondContact O-N 2.68Å; D99-I102 PolarHBondContact O-N 2.75Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.32Å; D99-A103 PolarHBondContact O-N 2.97Å
100E84.6Confident83.2Confident101 Ų10166.9 Ų66.947%0.47235%0.346SS..Hα-helixtrans-61.3-41.1172.6-63.7-178.4179.200112.1L95 M96 P97 A103 K104 L135L95-E100 HydrophobicContact CD1-CG 4.3Å; L95-E100 HydrophobicContact CD2-CG 4.22Å; L95-E100 HydrophobicContact CG-CG 4.3Å; M96-E100 PolarHBondContact O-N 2.94Å; P97-E100 PolarHBondContact O-N 3.4Å; E100-A103 PolarHBondContact O-N 3.03Å; E100-K104 VanDerWaalsContact O-CB 3.31Å; E100-K104 WeakPolarHBondContact O-CB 3.28Å; E100-K104 PolarHBondContact O-N 3.28Å; E100-L135 HydrophobicContact CG-CD2 4.26Å
101A82.2Confident82.5Confident63 Ų6368.3 Ų68.352%0.52135%0.351SS..Hα-helixtrans-62.7-45.4176.800000111.8P97 D99 H105P97-A101 PolarHBondContact O-N 3.28Å; P97-A101 VanDerWaalsContact O-N 3.09Å; D99-A101 VanDerWaalsContact C-N 3.33Å; D99-A101 PolarHBondContact O-N 2.68Å; A101-H105 PolarHBondContact O-N 3.41Å; A101-H105 VanDerWaalsContact O-N 3.1Å
102I82.2Confident82.2Confident41 Ų4170.3 Ų70.321%0.2136%0.363CS..Hα-helixtrans-65.2-45.7176.4-65.6165000110.3V8 F87 A98 D99 K104 H105 L106V8-I102 HydrophobicContact CG1-CG2 3.73Å; F87-I102 HydrophobicContact CD2-CG2 3.82Å; F87-I102 HydrophobicContact CE2-CB 3.85Å; F87-I102 HydrophobicContact CE2-CD1 4.33Å; F87-I102 HydrophobicContact CE2-CG2 3.37Å; F87-I102 HydrophobicContact CZ-CB 4.03Å; F87-I102 HydrophobicContact CZ-CG2 3.92Å; A98-I102 WeakPolarHBondContact O-CD1 3.34Å; A98-I102 VanDerWaalsContact O-CG1 3.23Å; A98-I102 WeakPolarHBondContact O-CG1 3.21Å; A98-I102 PolarHBondContact O-N 3.09Å; A98-I102 VanDerWaalsContact O-N 3.11Å; D99-I102 PolarHBondContact O-N 2.75Å; I102-K104 PolarHBondContact O-N 2.9Å; I102-H105 WeakPolarHBondContact O-CA 3.4Å; I102-H105 WeakPolarHBondContact O-CB 3.16Å; I102-H105 PolarHBondContact O-N 3.34Å; I102-H105 VanDerWaalsContact O-N 3.07Å; I102-L106 HydrophobicContact CG2-CD1 3.99Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 3.05Å
103A84.4Confident82.1Confident0 Ų064.2 Ų64.20%034%0.343CS..Hα-helixtrans-62.5-39.5178.500000112.9F87 D99 E100 H105 L106 R107 L135 L137F87-A103 HydrophobicContact CE1-CB 3.95Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.32Å; D99-A103 PolarHBondContact O-N 2.97Å; E100-A103 PolarHBondContact O-N 3.03Å; A103-H105 VanDerWaalsContact C-N 3.28Å; A103-H105 PolarHBondContact O-N 2.77Å; A103-L106 PolarHBondContact O-N 2.89Å; A103-R107 WeakPolarHBondContact O-CG 3.45Å; A103-R107 PolarHBondContact O-N 3.1Å; A103-R107 PolarHBondContact O-NE 2.87Å; A103-L135 HydrophobicContact CB-CB 4.38Å; A103-L135 HydrophobicContact CB-CD2 3.65Å; A103-L135 HydrophobicContact CB-CG 4.46Å; A103-L137 HydrophobicContact CB-CD1 3.86Å
104K83.2Confident82.3Confident151 Ų15163.9 Ų63.966%0.65733%0.333SS*.Hα-helixtrans-61.8-39.2172.8-174177.5-180179.60111.1E100 I102 S108E100-K104 VanDerWaalsContact O-CB 3.31Å; E100-K104 WeakPolarHBondContact O-CB 3.28Å; E100-K104 PolarHBondContact O-N 3.28Å; I102-K104 PolarHBondContact O-N 2.9Å; K104-S108 PolarHBondContact O-N 2.99Å
105H80.2Confident82.4Confident55 Ų5563.3 Ų63.326%0.25533%0.326SS..Hα-helixtrans-66.6-47175.8-164.383000112L76 A101 I102 A103 R107 S108 R109L76-H105 WeakPolarHBondContact CD2-CD2 3.4Å; L76-H105 WeakPolarHBondContact CD2-CE1 3.28Å; L76-H105 WeakPolarHBondContact CD2-NE2 3.34Å; A101-H105 PolarHBondContact O-N 3.41Å; A101-H105 VanDerWaalsContact O-N 3.1Å; I102-H105 WeakPolarHBondContact O-CA 3.4Å; I102-H105 WeakPolarHBondContact O-CB 3.16Å; I102-H105 PolarHBondContact O-N 3.34Å; I102-H105 VanDerWaalsContact O-N 3.07Å; A103-H105 VanDerWaalsContact C-N 3.28Å; A103-H105 PolarHBondContact O-N 2.77Å; H105-R107 VanDerWaalsContact C-N 3.32Å; H105-R107 PolarHBondContact O-N 2.94Å; H105-S108 PolarHBondContact O-N 3.49Å; H105-S108 VanDerWaalsContact O-N 3.08Å; H105-S108 PolarHBondContact O-OG 3.24Å; H105-R109 PolarHBondContact NE2-NE 2.88Å
106L83.2Confident82.6Confident3 Ų361.2 Ų61.22%0.01632%0.315CS..Hα-helixtrans-59.4-41.7179.1-70.1175.1000112.1I79 V85 F87 I102 A103 S108 R109 T113I79-L106 HydrophobicContact CD1-CD2 3.71Å; I79-L106 HydrophobicContact CG1-CD2 3.9Å; I79-L106 HydrophobicContact CG2-CD2 3.77Å; V85-L106 HydrophobicContact CB-CD2 4.45Å; V85-L106 HydrophobicContact CG1-CD1 4.26Å; V85-L106 HydrophobicContact CG1-CD2 3.88Å; V85-L106 HydrophobicContact CG2-CD2 4.37Å; F87-L106 HydrophobicContact CB-CD1 3.74Å; F87-L106 HydrophobicContact CD1-CD1 4.06Å; F87-L106 HydrophobicContact CD2-CD1 3.99Å; F87-L106 HydrophobicContact CG-CD1 3.66Å; I102-L106 HydrophobicContact CG2-CD1 3.99Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 3.05Å; A103-L106 PolarHBondContact O-N 2.89Å; L106-S108 VanDerWaalsContact C-N 3.26Å; L106-S108 PolarHBondContact O-N 3.36Å; L106-R109 PolarHBondContact O-N 2.74Å; L106-R109 VanDerWaalsContact O-N 3.15Å; L106-T113 HydrophobicContact CB-CG2 3.97Å; L106-T113 HydrophobicContact CD1-CG2 4.33Å; L106-T113 HydrophobicContact CD2-CG2 4.15Å; L106-T113 HydrophobicContact CG-CG2 4.37Å
107R80.9Confident82.9Confident125 Ų12557.9 Ų57.947%0.47230%0.299SS..Hα-helixtrans-60.1-33.5175.1-76-175.5-70.2-169.5-3.4113.6A103 H105 R109 L135 L137A103-R107 WeakPolarHBondContact O-CG 3.45Å; A103-R107 PolarHBondContact O-N 3.1Å; A103-R107 PolarHBondContact O-NE 2.87Å; H105-R107 VanDerWaalsContact C-N 3.32Å; H105-R107 PolarHBondContact O-N 2.94Å; R107-R109 PolarHBondContact O-N 3.14Å; R107-L135 PolarHBondContact NH1-O 3.36Å; R107-L135 VanDerWaalsContact NH1-O 3.14Å; R107-L137 HydrophobicContact CG-CD2 3.62Å
108S78.7Confident83.3Confident76 Ų7653.3 Ų53.353%0.53127%0.269SS..THydrogen-bonded Turntrans-71.2-12.1-179.772.60000114.2K104 H105 L106K104-S108 PolarHBondContact O-N 2.99Å; H105-S108 PolarHBondContact O-N 3.49Å; H105-S108 VanDerWaalsContact O-N 3.08Å; H105-S108 PolarHBondContact O-OG 3.24Å; L106-S108 VanDerWaalsContact C-N 3.26Å; L106-S108 PolarHBondContact O-N 3.36Å
109R74.5Confident83.7Confident105 Ų10553.9 Ų53.940%0.39626%0.264SS..THydrogen-bonded Turntrans-106.4-1.4-173.1-61.3-57.1-171.2140.611.6114.4E80 H105 L106 R107 K111E80-R109 IonicContact OE1-CZ 3.5Å; E80-R109 IonicContact OE1-NH1 2.66Å; E80-R109 PolarHBondContact OE1-NH1 3.09Å; E80-R109 IonicContact OE1-NH2 3.58Å; E80-R109 PolarHBondContact OE1-NH2 2.85Å; H105-R109 PolarHBondContact NE2-NE 2.88Å; L106-R109 PolarHBondContact O-N 2.74Å; L106-R109 VanDerWaalsContact O-N 3.15Å; R107-R109 PolarHBondContact O-N 3.14Å; R109-K111 HydrophobicContact CB-CG 4.34Å; R109-K111 PolarHBondContact O-N 3.11Å
110E72.7Confident83.7Confident187 Ų18754.2 Ų54.287%0.87427%0.266SS*.THydrogen-bonded Turntrans49.830.2178.3-62.9-177.317400114.2
111K76.4Confident83.7Confident50 Ų5050.7 Ų50.722%0.21725%0.25CS..  trans-88147.3176.9-69.1-161.3167.7-149.50111.4I79 E80 A82 R109 T113I79-K111 HydrophobicContact CG2-CD 4.38Å; I79-K111 WeakPolarHBondContact O-CD 3.39Å; I79-K111 WeakPolarHBondContact O-CE 3.39Å; I79-K111 PolarHBondContact O-NZ 3.33Å; E80-K111 PolarHBondContact O-NZ 3.25Å; A82-K111 PolarHBondContact O-NZ 3.42Å; R109-K111 HydrophobicContact CB-CG 4.34Å; R109-K111 PolarHBondContact O-N 3.11Å; K111-T113 VanDerWaalsContact O-CG2 3.3Å; K111-T113 WeakPolarHBondContact O-CG2 3.38Å; K111-T113 PolarHBondContact O-N 3.43Å
112P83.3Confident83.6Confident51 Ų5151.5 Ų51.533%0.33126%0.264SS..  trans-57105.8168.5-24.335.4000110.3V85 W162V85-P112 PolarHBondContact N-O 2.98Å; P112-W162 HydrophobicContact CB-CZ2 4.17Å; P112-W162 HydrophobicContact CG-CZ2 3.92Å
113T85Confident83.5Confident23 Ų2353 Ų5314%0.14127%0.272CS..EExtended strand (participates in β ladder)trans-118.8123.1-177.357.10000109.7V85 L106 K111V85-T113 HydrophobicContact CB-CG2 3.87Å; V85-T113 HydrophobicContact CG1-CG2 4.42Å; V85-T113 HydrophobicContact CG2-CG2 4.43Å; V85-T113 CarbonylContact O-C 3.54Å; V85-T113 VanDerWaalsContact O-CA 3.31Å; V85-T113 WeakPolarHBondContact O-CA 3.35Å; L106-T113 HydrophobicContact CB-CG2 3.97Å; L106-T113 HydrophobicContact CD1-CG2 4.33Å; L106-T113 HydrophobicContact CD2-CG2 4.15Å; L106-T113 HydrophobicContact CG-CG2 4.37Å; K111-T113 VanDerWaalsContact O-CG2 3.3Å; K111-T113 WeakPolarHBondContact O-CG2 3.38Å; K111-T113 PolarHBondContact O-N 3.43Å
114F88.3Confident83.3Confident41 Ų4157 Ų5718%0.1829%0.294CS..EExtended strand (participates in β ladder)trans-108.7129175.5-57.4-73.4000110.1V84 V85 L86 F87 Y141 V158 W162V84-F114 HydrophobicContact CG1-CD2 3.44Å; V84-F114 VanDerWaalsContact CG1-CD2 3.44Å; V84-F114 HydrophobicContact CG1-CE2 3.55Å; V85-F114 PolarHBondContact O-N 3.05Å; L86-F114 HydrophobicContact CD2-CB 3.92Å; L86-F114 HydrophobicContact CD2-CD2 4.18Å; F87-F114 PolarHBondContact N-O 2.71Å; F114-Y141 HydrophobicContact CB-CD2 4.41Å; F114-Y141 HydrophobicContact CB-CE2 4.28Å; F114-Y141 HydrophobicContact CD1-CE2 4.09Å; F114-V158 HydrophobicContact CB-CG1 3.91Å; F114-V158 HydrophobicContact CD1-CG1 3.14Å; F114-V158 HydrophobicContact CD2-CG1 3.42Å; F114-V158 VanDerWaalsContact CD2-CG1 3.42Å; F114-V158 HydrophobicContact CE1-CG1 3.29Å; F114-V158 HydrophobicContact CE2-CG1 3.57Å; F114-V158 HydrophobicContact CG-CG1 3.19Å; F114-V158 HydrophobicContact CZ-CG1 3.5Å; F114-V158 VanDerWaalsContact CZ-CG1 3.5Å; F114-W162 HydrophobicContact CE2-CG 4.35Å; F114-W162 HydrophobicContact CZ-CB 4.36Å; F114-W162 HydrophobicContact CZ-CG 4.29Å
115L89.5Confident83.1Confident1 Ų152.2 Ų52.21%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-88.7123.3-177.5179.753.6000110F87 V89 F132 L135 L137 I140 Y141F87-L115 HydrophobicContact CD1-CD1 3.57Å; F87-L115 HydrophobicContact CE1-CD1 4Å; F87-L115 HydrophobicContact CG-CD1 4.32Å; V89-L115 HydrophobicContact CB-CD1 4.45Å; V89-L115 HydrophobicContact CG1-CD1 3.71Å; V89-L115 HydrophobicContact CG2-CD1 3.87Å; L115-F132 HydrophobicContact CD2-CB 4.21Å; L115-L135 HydrophobicContact CD1-CD1 4.07Å; L115-L135 HydrophobicContact CD2-CB 4.24Å; L115-L135 HydrophobicContact CD2-CD1 3.76Å; L115-L137 HydrophobicContact CB-CB 4.36Å; L115-L137 HydrophobicContact CD2-CB 4.34Å; L115-I140 HydrophobicContact CB-CG1 4.34Å; L115-I140 HydrophobicContact CD2-CD1 3.97Å; L115-I140 HydrophobicContact CD2-CG1 3.74Å; L115-I140 HydrophobicContact CG-CG1 4.06Å; L115-I140 HydrophobicContact CG-CG2 4.16Å; L115-I140 WeakPolarHBondContact O-CA 3.25Å; L115-Y141 PolarHBondContact O-N 3.48Å
116V91.1Very high83Confident0 Ų055.7 Ų55.70%030%0.299CS..EExtended strand (participates in β ladder)trans-120.7105.1-170.5-175.80000109.6L86 F87 M88 V89 N118 I143 L154L86-V116 HydrophobicContact CB-CG2 4.24Å; L86-V116 HydrophobicContact CD2-CG2 4.21Å; F87-V116 PolarHBondContact O-N 3.33Å; M88-V116 WeakPolarHBondContact CA-O 3.47Å; M88-V116 HydrophobicContact CG-CB 4.24Å; M88-V116 HydrophobicContact CG-CG1 4.46Å; V89-V116 PolarHBondContact N-O 3.27Å; V116-N118 PolarHBondContact O-N 2.71Å; V116-I143 HydrophobicContact CG1-CB 4.42Å; V116-I143 HydrophobicContact CG1-CD1 3.27Å; V116-I143 HydrophobicContact CG1-CG1 3.5Å; V116-I143 VanDerWaalsContact CG1-CG1 3.5Å; V116-I143 HydrophobicContact CG1-CG2 4.07Å; V116-L154 HydrophobicContact CB-CD1 4.18Å; V116-L154 HydrophobicContact CG1-CD1 3.76Å; V116-L154 HydrophobicContact CG2-CD1 3.38Å
117A91.2Very high83Confident0 Ų062.5 Ų62.50%033%0.331CS..EExtended strand (participates in β ladder)trans-85.6100.9179.600000110.3V89 A91 V129 F132 I140 Y141 P142 I143V89-A117 HydrophobicContact CG2-CB 4.07Å; A91-A117 HydrophobicContact CB-CB 4.28Å; A117-V129 HydrophobicContact CB-CG2 4.23Å; A117-F132 HydrophobicContact CB-CD2 4.47Å; A117-I140 HydrophobicContact CB-CG2 3.89Å; A117-Y141 PolarHBondContact N-O 3.5Å; A117-P142 CarbonylContact O-C 3.59Å; A117-P142 WeakPolarHBondContact O-CA 3.31Å; A117-I143 PolarHBondContact O-N 3.35Å
118N91.5Very high82.9Confident4 Ų457.2 Ų57.22%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-87.2164.7-178-167.526.1000112.6V13 M88 V89 A91 V116 I143 A145V13-N118 PolarHBondContact O-ND2 3.1Å; M88-N118 HydrophobicContact CE-CB 3.74Å; V89-N118 PolarHBondContact O-N 3.37Å; A91-N118 WeakPolarHBondContact CB-O 3.35Å; A91-N118 PolarHBondContact N-O 3.15Å; V116-N118 PolarHBondContact O-N 2.71Å; N118-I143 CarbonylContact C-O 3.33Å; N118-I143 VanDerWaalsContact CA-O 3.3Å; N118-I143 WeakPolarHBondContact CA-O 3.38Å; N118-I143 HydrophobicContact CB-CD1 4.43Å; N118-I143 HydrophobicContact CB-CG1 4.06Å; N118-I143 PolarHBondContact OD1-O 2.83Å; N118-A145 VanDerWaalsContact OD1-CB 3.26Å; N118-A145 WeakPolarHBondContact OD1-CB 3.48Å; N118-A145 PolarHBondContact OD1-N 3.44Å
119K89Confident83.2Confident54 Ų5454 Ų5424%0.23529%0.291CS..  trans67.331.5178.1-46-170.3-163.71650114.6N12 D90 R92 D121 I143N12-K119 WeakPolarHBondContact O-CE 3.33Å; N12-K119 PolarHBondContact O-NZ 2.83Å; D90-K119 WeakPolarHBondContact OD1-CD 3.39Å; D90-K119 WeakPolarHBondContact OD2-CE 3.23Å; D90-K119 IonicContact OD2-NZ 3.6Å; D90-K119 PolarHBondContact OD2-NZ 3.2Å; R92-K119 HydrophobicContact CG-CB 4.07Å; R92-K119 WeakPolarHBondContact CG-O 3.31Å; R92-K119 PolarHBondContact NE-O 2.8Å; K119-D121 PolarHBondContact O-N 3.06Å; K119-I143 PolarHBondContact N-O 2.89Å
120T86.2Confident83.7Confident8 Ų853.2 Ų53.25%0.04930%0.297CS..  trans-70.115.5172.657.20000114A91 G122 L123 P142 I143A91-T120 HydrophobicContact CB-CG2 3.79Å; T120-G122 PolarHBondContact O-N 3.25Å; T120-G122 VanDerWaalsContact O-N 3.07Å; T120-L123 PolarHBondContact O-N 2.95Å; T120-P142 HydrophobicContact CG2-CB 3.82Å; T120-I143 PolarHBondContact N-O 3.2Å; T120-I143 PolarHBondContact OG1-O 2.84Å; T120-I143 VanDerWaalsContact OG1-O 3.07Å
121D84.3Confident84.2Confident27 Ų2748.9 Ų48.914%0.14428%0.28CS..THydrogen-bonded Turntrans-61.2107.4177.7-60.6-34.5000111.1R92 K119 L123 A144 S146 H147R92-D121 PolarHBondContact NH2-O 2.84Å; K119-D121 PolarHBondContact O-N 3.06Å; D121-L123 VanDerWaalsContact C-N 3.28Å; D121-L123 PolarHBondContact O-N 3.17Å; D121-A144 WeakPolarHBondContact OD1-CB 3.41Å; D121-S146 PolarHBondContact OD1-OG 3.39Å; D121-S146 PolarHBondContact OD2-OG 2.87Å; D121-H147 IonicContact OD1-CD2 3.6Å; D121-H147 PolarHBondContact OD1-CD2 3.07Å; D121-H147 VanDerWaalsContact OD1-CD2 3.26Å; D121-H147 IonicContact OD2-CD2 3.26Å
122G80Confident84.7Confident79 Ų7946.6 Ų46.681%0.81427%0.27SS*.THydrogen-bonded Turntrans79.18.1177.500000114.6T120T120-G122 PolarHBondContact O-N 3.25Å; T120-G122 VanDerWaalsContact O-N 3.07Å
123L79.6Confident84.9Confident73 Ų7351 Ų5138%0.38228%0.281SS..SBendtrans-100.6153.8171.8-65.2173.4000109.9R92 T120 D121 P125 A128R92-L123 HydrophobicContact CG-CD1 3.84Å; T120-L123 PolarHBondContact O-N 2.95Å; D121-L123 VanDerWaalsContact C-N 3.28Å; D121-L123 PolarHBondContact O-N 3.17Å; L123-P125 WeakPolarHBondContact O-CD 3.41Å; L123-A128 HydrophobicContact CB-CB 4.19Å; L123-A128 HydrophobicContact CD1-CB 4.21Å
124D81.5Confident84.9Confident83 Ų8353.8 Ų53.844%0.44430%0.302SS..  trans-72.8116.4166-169.2-0.8000108.3D126 Q127 A128D124-D126 PolarHBondContact O-N 2.8Å; D124-Q127 HydrophobicContact CB-CB 4.3Å; D124-Q127 HydrophobicContact CB-CG 4.22Å; D124-Q127 PolarHBondContact O-N 2.82Å; D124-A128 WeakPolarHBondContact O-CB 3.12Å; D124-A128 PolarHBondContact O-N 2.82Å
125P77.3Confident84.7Confident51 Ų5152 Ų5233%0.33129%0.294SS..Hα-helixtrans-54.5-38.8-175.3-25.234.2000112.6L123 Q127 A128 V129 P142L123-P125 WeakPolarHBondContact O-CD 3.41Å; P125-Q127 VanDerWaalsContact C-N 3.34Å; P125-Q127 PolarHBondContact O-N 2.77Å; P125-A128 PolarHBondContact O-N 2.77Å; P125-V129 WeakPolarHBondContact O-CB 3.16Å; P125-V129 WeakPolarHBondContact O-CG2 3.22Å; P125-V129 PolarHBondContact O-N 2.86Å; P125-P142 HydrophobicContact CB-CB 4.05Å; P125-P142 HydrophobicContact CB-CG 4.03Å
126D79.6Confident84.3Confident128 Ų12854.4 Ų54.468%0.68432%0.319SS*.Hα-helixtrans-67-37.1-176-65.3-20.5000111.5D124 V130D124-D126 PolarHBondContact O-N 2.8Å; D126-V130 VanDerWaalsContact O-CG2 3.23Å; D126-V130 WeakPolarHBondContact O-CG2 3.2Å
127Q82.2Confident83.6Confident147 Ų14755.4 Ų55.469%0.68732%0.324SS*.Hα-helixtrans-75.2-39.8175.6-67.2-173.68.800112.1D124 P125 V129 V130D124-Q127 HydrophobicContact CB-CB 4.3Å; D124-Q127 HydrophobicContact CB-CG 4.22Å; D124-Q127 PolarHBondContact O-N 2.82Å; P125-Q127 VanDerWaalsContact C-N 3.34Å; P125-Q127 PolarHBondContact O-N 2.77Å; Q127-V129 PolarHBondContact O-N 3.09Å; Q127-V130 PolarHBondContact O-N 3.46Å
128A78.8Confident83Confident14 Ų1457.8 Ų57.812%0.11635%0.349CS..Hα-helixtrans-68.1-20.6-175.800000112.8A91 L123 D124 P125 F132A91-A128 HydrophobicContact CB-CB 4.18Å; L123-A128 HydrophobicContact CB-CB 4.19Å; L123-A128 HydrophobicContact CD1-CB 4.21Å; D124-A128 WeakPolarHBondContact O-CB 3.12Å; D124-A128 PolarHBondContact O-N 2.82Å; P125-A128 PolarHBondContact O-N 2.77Å; A128-F132 WeakPolarHBondContact O-CD2 3.43Å; A128-F132 WeakPolarHBondContact O-CE2 3.45Å
129V84.8Confident82.6Confident9 Ų964.1 Ų64.16%0.05538%0.379CS..Hα-helixtrans-92.7-19.9-175.8171.20000113.3A117 P125 Q127 D131 F132 Y133 I140 P142A117-V129 HydrophobicContact CB-CG2 4.23Å; P125-V129 WeakPolarHBondContact O-CB 3.16Å; P125-V129 WeakPolarHBondContact O-CG2 3.22Å; P125-V129 PolarHBondContact O-N 2.86Å; Q127-V129 PolarHBondContact O-N 3.09Å; V129-D131 VanDerWaalsContact C-N 3.34Å; V129-D131 PolarHBondContact O-N 3.34Å; V129-F132 PolarHBondContact O-N 3.38Å; V129-Y133 HydrophobicContact CG1-CD2 4.08Å; V129-Y133 HydrophobicContact CG1-CE2 3.59Å; V129-I140 HydrophobicContact CB-CG2 4.44Å; V129-I140 HydrophobicContact CG1-CB 3.5Å; V129-I140 HydrophobicContact CG1-CD1 3.49Å; V129-I140 VanDerWaalsContact CG1-CD1 3.49Å; V129-I140 HydrophobicContact CG1-CG1 4.04Å; V129-I140 HydrophobicContact CG1-CG2 3.57Å; V129-I140 HydrophobicContact CG2-CG2 4.04Å; V129-P142 HydrophobicContact CG2-CB 4.19Å
130V85.3Confident82.4Confident88 Ų8862.2 Ų62.253%0.53337%0.371SS..G310 helixtrans-51.2-48.3-171.3-179.60000112.9D126 Q127 F132 Y133D126-V130 VanDerWaalsContact O-CG2 3.23Å; D126-V130 WeakPolarHBondContact O-CG2 3.2Å; Q127-V130 PolarHBondContact O-N 3.46Å; V130-F132 PolarHBondContact O-N 3.23Å; V130-Y133 PolarHBondContact O-N 3.11Å
131D83.5Confident82.5Confident96 Ų9663.7 Ų63.751%0.51338%0.376SS..G310 helixtrans-64.4-30.2-175.9-67.4-11.8000112.4L95 V129 S134L95-D131 HydrophobicContact CB-CB 4.31Å; V129-D131 VanDerWaalsContact C-N 3.34Å; V129-D131 PolarHBondContact O-N 3.34Å; D131-S134 WeakPolarHBondContact O-CB 3.26Å; D131-S134 PolarHBondContact O-N 3.1Å; D131-S134 PolarHBondContact O-OG 2.97Å
132F87.2Confident82.8Confident1 Ų164.7 Ų64.70%0.00438%0.384CS..G310 helixtrans-81.2-16.6-173.7-60.4-66.9000113.5V89 D90 A91 L95 L115 A117 A128 V129 V130 S134 L135 I140V89-F132 HydrophobicContact CB-CD1 4Å; V89-F132 HydrophobicContact CB-CE1 3.66Å; V89-F132 HydrophobicContact CB-CZ 4.2Å; V89-F132 HydrophobicContact CG1-CD1 4.29Å; V89-F132 HydrophobicContact CG1-CE1 4.28Å; V89-F132 HydrophobicContact CG2-CD1 3.63Å; V89-F132 HydrophobicContact CG2-CD2 4.23Å; V89-F132 HydrophobicContact CG2-CE1 3.59Å; V89-F132 HydrophobicContact CG2-CE2 4.21Å; V89-F132 HydrophobicContact CG2-CG 3.96Å; V89-F132 HydrophobicContact CG2-CZ 3.89Å; D90-F132 WeakPolarHBondContact O-CZ 3.29Å; A91-F132 HydrophobicContact CB-CE2 4.35Å; L95-F132 HydrophobicContact CB-CE1 4.42Å; L95-F132 HydrophobicContact CD1-CD1 4.12Å; L95-F132 HydrophobicContact CD1-CE1 4.47Å; L115-F132 HydrophobicContact CD2-CB 4.21Å; A117-F132 HydrophobicContact CB-CD2 4.47Å; A128-F132 WeakPolarHBondContact O-CD2 3.43Å; A128-F132 WeakPolarHBondContact O-CE2 3.45Å; V129-F132 PolarHBondContact O-N 3.38Å; V130-F132 PolarHBondContact O-N 3.23Å; F132-S134 PolarHBondContact O-N 3.18Å; F132-L135 HydrophobicContact CB-CD1 4.44Å; F132-L135 HydrophobicContact CD1-CD1 4.24Å; F132-L135 VanDerWaalsContact O-CB 3.3Å; F132-L135 WeakPolarHBondContact O-CB 3.5Å; F132-L135 WeakPolarHBondContact O-CG 3.45Å; F132-L135 PolarHBondContact O-N 3.16Å; F132-L135 VanDerWaalsContact O-N 3.09Å; F132-I140 HydrophobicContact CB-CD1 3.78Å
133Y85.8Confident83.3Confident144 Ų14461 Ų6157%0.56535%0.345SS*.G310 helixtrans-60-27.3171.9-82.4-74000112.4V129 V130 L135 G136 I140V129-Y133 HydrophobicContact CG1-CD2 4.08Å; V129-Y133 HydrophobicContact CG1-CE2 3.59Å; V130-Y133 PolarHBondContact O-N 3.11Å; Y133-L135 PolarHBondContact O-N 2.97Å; Y133-L135 VanDerWaalsContact O-N 3.13Å; Y133-G136 PolarHBondContact O-N 3.03Å; Y133-G136 VanDerWaalsContact O-N 3.12Å; Y133-I140 HydrophobicContact CD1-CD1 3.87Å; Y133-I140 HydrophobicContact CD2-CD1 3.93Å; Y133-I140 HydrophobicContact CE1-CD1 4.08Å; Y133-I140 HydrophobicContact CE1-CG1 4.47Å; Y133-I140 HydrophobicContact CE2-CD1 4.16Å; Y133-I140 HydrophobicContact CG-CD1 3.79Å
134S85.5Confident83.7Confident82 Ų8257.5 Ų57.557%0.57333%0.327SS*.G310 helixtrans-60-20.5175.868.10000113.9L95 D131 F132 G136L95-S134 VanDerWaalsContact CD2-OG 3.29Å; L95-S134 WeakPolarHBondContact CD2-OG 3.4Å; D131-S134 WeakPolarHBondContact O-CB 3.26Å; D131-S134 PolarHBondContact O-N 3.1Å; D131-S134 PolarHBondContact O-OG 2.97Å; F132-S134 PolarHBondContact O-N 3.18Å; S134-G136 VanDerWaalsContact C-N 3.26Å; S134-G136 PolarHBondContact O-N 3.39Å
135L84.3Confident83.7Confident3 Ų353.6 Ų53.62%0.01631%0.306CS..G310 helixtrans-69.6-23.1177.7-66.7173.2000112.9F87 V89 L95 E100 A103 R107 L115 F132 Y133 L137F87-L135 HydrophobicContact CE1-CD1 4.02Å; V89-L135 HydrophobicContact CG1-CD1 4.45Å; L95-L135 HydrophobicContact CD1-CD1 3.93Å; L95-L135 HydrophobicContact CD1-CD2 3.61Å; L95-L135 HydrophobicContact CD1-CG 3.79Å; E100-L135 HydrophobicContact CG-CD2 4.26Å; A103-L135 HydrophobicContact CB-CB 4.38Å; A103-L135 HydrophobicContact CB-CD2 3.65Å; A103-L135 HydrophobicContact CB-CG 4.46Å; R107-L135 PolarHBondContact NH1-O 3.36Å; R107-L135 VanDerWaalsContact NH1-O 3.14Å; L115-L135 HydrophobicContact CD1-CD1 4.07Å; L115-L135 HydrophobicContact CD2-CB 4.24Å; L115-L135 HydrophobicContact CD2-CD1 3.76Å; F132-L135 HydrophobicContact CB-CD1 4.44Å; F132-L135 HydrophobicContact CD1-CD1 4.24Å; F132-L135 VanDerWaalsContact O-CB 3.3Å; F132-L135 WeakPolarHBondContact O-CB 3.5Å; F132-L135 WeakPolarHBondContact O-CG 3.45Å; F132-L135 PolarHBondContact O-N 3.16Å; F132-L135 VanDerWaalsContact O-N 3.09Å; Y133-L135 PolarHBondContact O-N 2.97Å; Y133-L135 VanDerWaalsContact O-N 3.13Å; L135-L137 HydrophobicContact CB-CD1 4.31Å; L135-L137 HydrophobicContact CB-CG 4.37Å
136G80.7Confident84Confident52 Ų5254 Ų5454%0.53631%0.31SS..  trans66.136.1176.900000114Y133 S134Y133-G136 PolarHBondContact O-N 3.03Å; Y133-G136 VanDerWaalsContact O-N 3.12Å; S134-G136 VanDerWaalsContact C-N 3.26Å; S134-G136 PolarHBondContact O-N 3.39Å
137L76.7Confident84.1Confident20 Ų2054.9 Ų54.911%0.10531%0.31CS..  trans-105.717-177.9-68.2174.3000113.5F87 A103 R107 L115 L135F87-L137 HydrophobicContact CD1-CD1 3.54Å; F87-L137 HydrophobicContact CE1-CD1 4Å; A103-L137 HydrophobicContact CB-CD1 3.86Å; R107-L137 HydrophobicContact CG-CD2 3.62Å; L115-L137 HydrophobicContact CB-CB 4.36Å; L115-L137 HydrophobicContact CD2-CB 4.34Å; L135-L137 HydrophobicContact CB-CD1 4.31Å; L135-L137 HydrophobicContact CB-CG 4.37Å
138G79.2Confident83.9Confident51 Ų5149.5 Ų49.553%0.52629%0.294SS..SBendtrans88.9-146.2178.800000113.7
139E82.7Confident84Confident136 Ų13657.2 Ų57.264%0.63632%0.32SS*.  trans-67.3147.4179.8-67.1-166.9162.500112.1Y141E139-Y141 HydrophobicContact CB-CE2 4.23Å; E139-Y141 PolarHBondContact OE2-OH 2.84Å
140I86Confident83.8Confident15 Ų1558 Ų588%0.07733%0.33CS..EExtended strand (participates in β ladder)trans-117.4126.4-175.7-54.7170.4000108.7L115 A117 V129 F132 Y133 P142L115-I140 HydrophobicContact CB-CG1 4.34Å; L115-I140 HydrophobicContact CD2-CD1 3.97Å; L115-I140 HydrophobicContact CD2-CG1 3.74Å; L115-I140 HydrophobicContact CG-CG1 4.06Å; L115-I140 HydrophobicContact CG-CG2 4.16Å; L115-I140 WeakPolarHBondContact O-CA 3.25Å; A117-I140 HydrophobicContact CB-CG2 3.89Å; V129-I140 HydrophobicContact CB-CG2 4.44Å; V129-I140 HydrophobicContact CG1-CB 3.5Å; V129-I140 HydrophobicContact CG1-CD1 3.49Å; V129-I140 VanDerWaalsContact CG1-CD1 3.49Å; V129-I140 HydrophobicContact CG1-CG1 4.04Å; V129-I140 HydrophobicContact CG1-CG2 3.57Å; V129-I140 HydrophobicContact CG2-CG2 4.04Å; F132-I140 HydrophobicContact CB-CD1 3.78Å; Y133-I140 HydrophobicContact CD1-CD1 3.87Å; Y133-I140 HydrophobicContact CD2-CD1 3.93Å; Y133-I140 HydrophobicContact CE1-CD1 4.08Å; Y133-I140 HydrophobicContact CE1-CG1 4.47Å; Y133-I140 HydrophobicContact CE2-CD1 4.16Å; Y133-I140 HydrophobicContact CG-CD1 3.79Å; I140-P142 VanDerWaalsContact O-CD 3.22Å; I140-P142 WeakPolarHBondContact O-CD 3.3Å
141Y88.4Confident83.7Confident39 Ų3954.2 Ų54.215%0.15331%0.307CS..EExtended strand (participates in β ladder)trans-103105.2-176-60-74.5000110.3F114 L115 A117 E139 I143 L154 V158F114-Y141 HydrophobicContact CB-CD2 4.41Å; F114-Y141 HydrophobicContact CB-CE2 4.28Å; F114-Y141 HydrophobicContact CD1-CE2 4.09Å; L115-Y141 PolarHBondContact O-N 3.48Å; A117-Y141 PolarHBondContact N-O 3.5Å; E139-Y141 HydrophobicContact CB-CE2 4.23Å; E139-Y141 PolarHBondContact OE2-OH 2.84Å; Y141-I143 PolarHBondContact O-N 2.86Å; Y141-L154 HydrophobicContact CG-CD1 4.32Å; Y141-V158 HydrophobicContact CD1-CG2 3.74Å; Y141-V158 HydrophobicContact CD2-CG2 3.89Å; Y141-V158 HydrophobicContact CE1-CG2 3.38Å; Y141-V158 HydrophobicContact CE2-CB 4.41Å; Y141-V158 HydrophobicContact CE2-CG1 3.95Å; Y141-V158 HydrophobicContact CE2-CG2 3.51Å; Y141-V158 HydrophobicContact CG-CG2 4Å
142P89.2Confident83.5Confident47 Ų4754.7 Ų54.731%0.30531%0.309SS..EExtended strand (participates in β ladder)trans-73.7122177.628.3-33.2000110.7A117 T120 P125 V129 I140A117-P142 CarbonylContact O-C 3.59Å; A117-P142 WeakPolarHBondContact O-CA 3.31Å; T120-P142 HydrophobicContact CG2-CB 3.82Å; P125-P142 HydrophobicContact CB-CB 4.05Å; P125-P142 HydrophobicContact CB-CG 4.03Å; V129-P142 HydrophobicContact CG2-CB 4.19Å; I140-P142 VanDerWaalsContact O-CD 3.22Å; I140-P142 WeakPolarHBondContact O-CD 3.3Å
143I90.3Very high83.3Confident1 Ų157.2 Ų57.21%0.00533%0.326CS..  trans-130.4158.2179.871.3163.5000113.1L18 M88 V116 A117 N118 K119 T120 Y141 A145 V151 L154L18-I143 HydrophobicContact CD1-CD1 3.96Å; L18-I143 HydrophobicContact CD2-CD1 4.01Å; M88-I143 HydrophobicContact CE-CD1 4.29Å; V116-I143 HydrophobicContact CG1-CB 4.42Å; V116-I143 HydrophobicContact CG1-CD1 3.27Å; V116-I143 HydrophobicContact CG1-CG1 3.5Å; V116-I143 VanDerWaalsContact CG1-CG1 3.5Å; V116-I143 HydrophobicContact CG1-CG2 4.07Å; A117-I143 PolarHBondContact O-N 3.35Å; N118-I143 CarbonylContact C-O 3.33Å; N118-I143 VanDerWaalsContact CA-O 3.3Å; N118-I143 WeakPolarHBondContact CA-O 3.38Å; N118-I143 HydrophobicContact CB-CD1 4.43Å; N118-I143 HydrophobicContact CB-CG1 4.06Å; N118-I143 PolarHBondContact OD1-O 2.83Å; K119-I143 PolarHBondContact N-O 2.89Å; T120-I143 PolarHBondContact N-O 3.2Å; T120-I143 PolarHBondContact OG1-O 2.84Å; T120-I143 VanDerWaalsContact OG1-O 3.07Å; Y141-I143 PolarHBondContact O-N 2.86Å; I143-A145 HydrophobicContact CD1-CB 4.42Å; I143-V151 HydrophobicContact CB-CG2 4.45Å; I143-V151 HydrophobicContact CD1-CG2 4.48Å; I143-L154 HydrophobicContact CG2-CB 4.34Å; I143-L154 HydrophobicContact CG2-CD1 4.26Å
144A88.1Confident83.2Confident1 Ų150.4 Ų50.41%0.00830%0.3CS..  trans-121.585.6168.400000110R21 D121 S146 H147 G148 R149R21-A144 PolarHBondContact NH1-O 3.49Å; D121-A144 WeakPolarHBondContact OD1-CB 3.41Å; A144-S146 PolarHBondContact O-N 3.43Å; A144-S146 VanDerWaalsContact O-N 3.08Å; A144-H147 HydrophobicContact CB-CB 4.36Å; A144-H147 PolarHBondContact O-N 3.46Å; A144-G148 PolarHBondContact O-N 3.4Å; A144-R149 HydrophobicContact CB-CB 3.99Å; A144-R149 PolarHBondContact N-O 2.75Å
145A83.2Confident82.9Confident0 Ų047.5 Ų47.50%028%0.278CS..THydrogen-bonded Turntrans-60.8-17.3178.700000113.2T17 L18 R21 N118 I143T17-A145 HydrophobicContact CG2-CB 4.1Å; T17-A145 VanDerWaalsContact CG2-O 3.24Å; T17-A145 WeakPolarHBondContact CG2-O 3.3Å; L18-A145 HydrophobicContact CB-CB 4.17Å; R21-A145 PolarHBondContact NH1-O 3.35Å; R21-A145 PolarHBondContact NH2-O 2.85Å; N118-A145 VanDerWaalsContact OD1-CB 3.26Å; N118-A145 WeakPolarHBondContact OD1-CB 3.48Å; N118-A145 PolarHBondContact OD1-N 3.44Å; I143-A145 HydrophobicContact CD1-CB 4.42Å
146S82.3Confident82.6Confident60 Ų6050.2 Ų50.242%0.4229%0.291SS..THydrogen-bonded Turntrans-75.1-41.4172.254.60000112.8R21 D121 A144R21-S146 PolarHBondContact NH2-O 3.44Å; D121-S146 PolarHBondContact OD1-OG 3.39Å; D121-S146 PolarHBondContact OD2-OG 2.87Å; A144-S146 PolarHBondContact O-N 3.43Å; A144-S146 VanDerWaalsContact O-N 3.08Å
147H81.2Confident82.2Confident147 Ų14753.4 Ų53.468%0.68129%0.291SS*.THydrogen-bonded Turntrans-109.1-20.9-168.9-72.9-54.7000116.8D121 A144D121-H147 IonicContact OD1-CD2 3.6Å; D121-H147 PolarHBondContact OD1-CD2 3.07Å; D121-H147 VanDerWaalsContact OD1-CD2 3.26Å; D121-H147 IonicContact OD2-CD2 3.26Å; A144-H147 HydrophobicContact CB-CB 4.36Å; A144-H147 PolarHBondContact O-N 3.46Å
148G78.3Confident82Confident33 Ų3352.7 Ų52.734%0.3429%0.288SS..  trans113.8-14.8176.100000112.3R21 A144R21-G148 VanDerWaalsContact NH2-N 3.19Å; A144-G148 PolarHBondContact O-N 3.4Å
149R82Confident81.8Confident177 Ų17750.3 Ų50.367%0.66826%0.263SS*.THydrogen-bonded Turntrans-70.3135.5-172.6-169-176.7-74.7169.3-6.7110.5A144 V151A144-R149 HydrophobicContact CB-CB 3.99Å; A144-R149 PolarHBondContact N-O 2.75Å; R149-V151 PolarHBondContact O-N 3.01Å; R149-V151 VanDerWaalsContact O-N 3.14Å
150G80.5Confident81.2Confident26 Ų2644.4 Ų44.427%0.26824%0.236SC..THydrogen-bonded Turntrans77.1-19178.700000115.4L152 S153 L154G150-L152 PolarHBondContact O-N 3.5Å; G150-S153 PolarHBondContact O-N 2.83Å; G150-L154 WeakPolarHBondContact O-CB 3.18Å; G150-L154 PolarHBondContact O-N 2.7Å
151V81.8Confident80.5Confident7 Ų746.1 Ų46.14%0.04225%0.247CC..Hα-helixtrans-66.7-41.7-176.2-178.80000112.2L18 R21 L22 I143 R149 L154 L155L18-V151 HydrophobicContact CD1-CG1 3.89Å; L18-V151 HydrophobicContact CD1-CG2 4.04Å; R21-V151 HydrophobicContact CG-CG1 4.4Å; L22-V151 HydrophobicContact CD2-CG1 4.02Å; I143-V151 HydrophobicContact CB-CG2 4.45Å; I143-V151 HydrophobicContact CD1-CG2 4.48Å; R149-V151 PolarHBondContact O-N 3.01Å; R149-V151 VanDerWaalsContact O-N 3.14Å; V151-L154 PolarHBondContact O-N 3.48Å; V151-L155 HydrophobicContact CG1-CD1 4.17Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 3.31Å
152L81.2Confident79.8Confident106 Ų10646 Ų4656%0.55525%0.247SC*.Hα-helixtrans-62.4-46.4176.2-171.9110.2000110.9G150 L154 L155 E156G150-L152 PolarHBondContact O-N 3.5Å; L152-L154 PolarHBondContact O-N 2.84Å; L152-L155 PolarHBondContact O-N 3.49Å; L152-L155 VanDerWaalsContact O-N 3.13Å; L152-E156 VanDerWaalsContact CD2-CD 3.5Å; L152-E156 WeakPolarHBondContact CD2-OE1 3.39Å; L152-E156 WeakPolarHBondContact CD2-OE2 3.33Å; L152-E156 HydrophobicContact CG-CG 4.34Å; L152-E156 VanDerWaalsContact CG-OE1 3.23Å; L152-E156 WeakPolarHBondContact CG-OE1 3.2Å; L152-E156 WeakPolarHBondContact O-CB 3.3Å; L152-E156 WeakPolarHBondContact O-CG 3.44Å; L152-E156 PolarHBondContact O-N 2.93Å
153S82.1Confident78.8Confident54 Ų5444.4 Ų44.438%0.37824%0.236SC..Hα-helixtrans-61.9-41.9177.11720000112.2G150 L155 E156 H157G150-S153 PolarHBondContact O-N 2.83Å; S153-L155 VanDerWaalsContact C-N 3.31Å; S153-L155 PolarHBondContact O-N 2.98Å; S153-E156 PolarHBondContact O-N 3.33Å; S153-H157 VanDerWaalsContact O-CB 3.24Å; S153-H157 WeakPolarHBondContact O-CB 3.2Å; S153-H157 PolarHBondContact O-N 3.05Å; S153-H157 PolarHBondContact O-ND1 3.43Å
154L82.8Confident77.7Confident1 Ų149.5 Ų49.51%0.00526%0.259CS..Hα-helixtrans-58.7-43.6173.4174.9132.9000111.5L86 V116 Y141 I143 G150 V151 L152 V158 L159L86-L154 HydrophobicContact CD1-CD2 4.03Å; V116-L154 HydrophobicContact CB-CD1 4.18Å; V116-L154 HydrophobicContact CG1-CD1 3.76Å; V116-L154 HydrophobicContact CG2-CD1 3.38Å; Y141-L154 HydrophobicContact CG-CD1 4.32Å; I143-L154 HydrophobicContact CG2-CB 4.34Å; I143-L154 HydrophobicContact CG2-CD1 4.26Å; G150-L154 WeakPolarHBondContact O-CB 3.18Å; G150-L154 PolarHBondContact O-N 2.7Å; V151-L154 PolarHBondContact O-N 3.48Å; L152-L154 PolarHBondContact O-N 2.84Å; L154-V158 WeakPolarHBondContact O-CB 2.96Å; L154-V158 VanDerWaalsContact O-CG2 3.29Å; L154-V158 WeakPolarHBondContact O-CG2 3.49Å; L154-V158 PolarHBondContact O-N 2.84Å; L154-L159 HydrophobicContact CD2-CD1 4.44Å; L154-L159 PolarHBondContact O-N 3.41Å
155L80.3Confident76.5Confident21 Ų2155.6 Ų55.611%0.1129%0.292CS..Iπ-helixtrans-69.6-44.5179.1-66.6162.7000111.9L22 I47 F52 V151 L152 S153 L159 L160L22-L155 HydrophobicContact CD2-CD1 3.65Å; L22-L155 HydrophobicContact CD2-CD2 3.46Å; L22-L155 VanDerWaalsContact CD2-CD2 3.46Å; L22-L155 HydrophobicContact CD2-CG 3.85Å; I47-L155 HydrophobicContact CD1-CB 3.22Å; I47-L155 HydrophobicContact CD1-CD1 4.33Å; I47-L155 HydrophobicContact CD1-CG 4.32Å; F52-L155 HydrophobicContact CE1-CD2 4.22Å; F52-L155 HydrophobicContact CZ-CD2 3.78Å; V151-L155 HydrophobicContact CG1-CD1 4.17Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 3.31Å; L152-L155 PolarHBondContact O-N 3.49Å; L152-L155 VanDerWaalsContact O-N 3.13Å; S153-L155 VanDerWaalsContact C-N 3.31Å; S153-L155 PolarHBondContact O-N 2.98Å; L155-L159 HydrophobicContact CD2-CD1 3.46Å; L155-L159 VanDerWaalsContact CD2-CD1 3.46Å; L155-L159 WeakPolarHBondContact O-CB 3.42Å; L155-L159 PolarHBondContact O-N 2.98Å; L155-L160 PolarHBondContact O-N 3.41Å
156E77.6Confident75.3Confident61 Ų6160 Ų6029%0.28532%0.315SS..Iπ-helixtrans-74.7-35.2-175.4-72.5172.5-18000114I47 L152 S153 L160 P161I47-E156 HydrophobicContact CD1-CG 3.91Å; L152-E156 VanDerWaalsContact CD2-CD 3.5Å; L152-E156 WeakPolarHBondContact CD2-OE1 3.39Å; L152-E156 WeakPolarHBondContact CD2-OE2 3.33Å; L152-E156 HydrophobicContact CG-CG 4.34Å; L152-E156 VanDerWaalsContact CG-OE1 3.23Å; L152-E156 WeakPolarHBondContact CG-OE1 3.2Å; L152-E156 WeakPolarHBondContact O-CB 3.3Å; L152-E156 WeakPolarHBondContact O-CG 3.44Å; L152-E156 PolarHBondContact O-N 2.93Å; S153-E156 PolarHBondContact O-N 3.33Å; E156-L160 HydrophobicContact CB-CD1 4.33Å; E156-L160 HydrophobicContact CG-CD1 4.23Å; E156-P161 WeakPolarHBondContact O-CD 3.17Å
157H72.4Confident73.8Confident119 Ų11959.4 Ų59.455%0.55131%0.313SS*.Iπ-helixtrans-98-17.1-173.6-63.666.6000112.8S153 P161S153-H157 VanDerWaalsContact O-CB 3.24Å; S153-H157 WeakPolarHBondContact O-CB 3.2Å; S153-H157 PolarHBondContact O-N 3.05Å; S153-H157 PolarHBondContact O-ND1 3.43Å; H157-P161 WeakPolarHBondContact O-CG 3.44Å
158V72.4Confident72Confident5 Ų558 Ų583%0.0332%0.318CS..Iπ-helixtrans-116.2-54.4-173.2-167.10000110.5F114 Y141 L154 W162F114-V158 HydrophobicContact CB-CG1 3.91Å; F114-V158 HydrophobicContact CD1-CG1 3.14Å; F114-V158 HydrophobicContact CD2-CG1 3.42Å; F114-V158 VanDerWaalsContact CD2-CG1 3.42Å; F114-V158 HydrophobicContact CE1-CG1 3.29Å; F114-V158 HydrophobicContact CE2-CG1 3.57Å; F114-V158 HydrophobicContact CG-CG1 3.19Å; F114-V158 HydrophobicContact CZ-CG1 3.5Å; F114-V158 VanDerWaalsContact CZ-CG1 3.5Å; Y141-V158 HydrophobicContact CD1-CG2 3.74Å; Y141-V158 HydrophobicContact CD2-CG2 3.89Å; Y141-V158 HydrophobicContact CE1-CG2 3.38Å; Y141-V158 HydrophobicContact CE2-CB 4.41Å; Y141-V158 HydrophobicContact CE2-CG1 3.95Å; Y141-V158 HydrophobicContact CE2-CG2 3.51Å; Y141-V158 HydrophobicContact CG-CG2 4Å; L154-V158 WeakPolarHBondContact O-CB 2.96Å; L154-V158 VanDerWaalsContact O-CG2 3.29Å; L154-V158 WeakPolarHBondContact O-CG2 3.49Å; L154-V158 PolarHBondContact O-N 2.84Å; V158-W162 WeakPolarHBondContact O-CB 3.42Å; V158-W162 PolarHBondContact O-N 3.23Å
159L74.1Confident70Confident0 Ų064.6 Ų64.60%034%0.339CS..Iπ-helixtrans-80.2-42-175.6-70.5170.9000112.4V5 V84 L86 L154 L155 W162 M163V5-L159 HydrophobicContact CG1-CD2 4.35Å; V5-L159 HydrophobicContact CG2-CD2 4.01Å; V84-L159 HydrophobicContact CB-CD2 4.34Å; V84-L159 HydrophobicContact CG1-CD2 3.97Å; V84-L159 HydrophobicContact CG2-CD2 4.18Å; L86-L159 HydrophobicContact CD1-CD1 4.24Å; L86-L159 HydrophobicContact CD2-CD2 4.48Å; L154-L159 HydrophobicContact CD2-CD1 4.44Å; L154-L159 PolarHBondContact O-N 3.41Å; L155-L159 HydrophobicContact CD2-CD1 3.46Å; L155-L159 VanDerWaalsContact CD2-CD1 3.46Å; L155-L159 WeakPolarHBondContact O-CB 3.42Å; L155-L159 PolarHBondContact O-N 2.98Å; L159-W162 PolarHBondContact O-N 3.45Å; L159-M163 VanDerWaalsContact O-CB 3.27Å; L159-M163 WeakPolarHBondContact O-CB 3.44Å; L159-M163 WeakPolarHBondContact O-CG 3.33Å; L159-M163 PolarHBondContact O-N 2.89Å
160L71.9Confident67.7Low13 Ų1364.9 Ų64.97%0.06835%0.348CS..Hα-helixtrans-60.3-51.2178.2-77178.6000113I47 E48 L155 E156 W162 M163 E164I47-L160 HydrophobicContact CD1-CD1 4.02Å; I47-L160 HydrophobicContact CD1-CG 4.07Å; I47-L160 HydrophobicContact CG1-CD1 4.18Å; I47-L160 HydrophobicContact CG1-CD2 4.27Å; I47-L160 HydrophobicContact CG1-CG 4.24Å; I47-L160 HydrophobicContact CG2-CD2 3.8Å; I47-L160 HydrophobicContact CG2-CG 4.29Å; E48-L160 HydrophobicContact CB-CD1 4.42Å; E48-L160 HydrophobicContact CG-CD1 4.16Å; E48-L160 WeakPolarHBondContact OE2-CD1 3.47Å; L155-L160 PolarHBondContact O-N 3.41Å; E156-L160 HydrophobicContact CB-CD1 4.33Å; E156-L160 HydrophobicContact CG-CD1 4.23Å; L160-W162 VanDerWaalsContact C-N 3.29Å; L160-W162 PolarHBondContact O-N 3.24Å; L160-M163 CarbonylContact O-C 3.55Å; L160-M163 PolarHBondContact O-N 3.14Å; L160-M163 VanDerWaalsContact O-N 3.17Å; L160-E164 WeakPolarHBondContact O-CG 3.1Å; L160-E164 PolarHBondContact O-N 2.79Å
161P70.9Confident65.5Low50 Ų5072.2 Ų72.233%0.32538%0.376SS..Hα-helixtrans-64.3-38.2-179.4-2336.7000111.4E156 H157 M163 E164 D165E156-P161 WeakPolarHBondContact O-CD 3.17Å; H157-P161 WeakPolarHBondContact O-CG 3.44Å; P161-M163 PolarHBondContact O-N 2.94Å; P161-E164 WeakPolarHBondContact O-CB 2.97Å; P161-E164 PolarHBondContact O-N 2.89Å; P161-D165 PolarHBondContact O-N 3Å
162W72.9Confident63.1Low37 Ų3776.7 Ų76.714%0.1440%0.403CS..Hα-helixtrans-67.8-36.2177-175.387.8000112.5P3 D83 V84 P112 F114 V158 L159 L160 E164 D165 L166P3-W162 HydrophobicContact CB-CZ3 4.14Å; D83-W162 HydrophobicContact CB-CH2 3.44Å; D83-W162 VanDerWaalsContact CB-CH2 3.44Å; D83-W162 HydrophobicContact CB-CZ2 4.22Å; D83-W162 HydrophobicContact CB-CZ3 4.36Å; D83-W162 VanDerWaalsContact O-CZ2 3.3Å; D83-W162 WeakPolarHBondContact O-CZ2 3.45Å; V84-W162 HydrophobicContact CB-CH2 4.3Å; V84-W162 HydrophobicContact CB-CZ2 4.48Å; V84-W162 HydrophobicContact CB-CZ3 4.46Å; V84-W162 HydrophobicContact CG2-CD2 3.44Å; V84-W162 VanDerWaalsContact CG2-CD2 3.44Å; V84-W162 HydrophobicContact CG2-CE3 3.19Å; V84-W162 HydrophobicContact CG2-CG 4.42Å; V84-W162 HydrophobicContact CG2-CH2 3.04Å; V84-W162 HydrophobicContact CG2-CZ2 3.31Å; V84-W162 HydrophobicContact CG2-CZ3 3.03Å; P112-W162 HydrophobicContact CB-CZ2 4.17Å; P112-W162 HydrophobicContact CG-CZ2 3.92Å; F114-W162 HydrophobicContact CE2-CG 4.35Å; F114-W162 HydrophobicContact CZ-CB 4.36Å; F114-W162 HydrophobicContact CZ-CG 4.29Å; V158-W162 WeakPolarHBondContact O-CB 3.42Å; V158-W162 PolarHBondContact O-N 3.23Å; L159-W162 PolarHBondContact O-N 3.45Å; L160-W162 VanDerWaalsContact C-N 3.29Å; L160-W162 PolarHBondContact O-N 3.24Å; W162-E164 VanDerWaalsContact C-N 3.3Å; W162-D165 PolarHBondContact O-N 3.41Å; W162-L166 HydrophobicContact CD2-CD1 3.87Å; W162-L166 VanDerWaalsContact CE2-CD1 3.49Å; W162-L166 HydrophobicContact CE3-CD1 3.73Å; W162-L166 HydrophobicContact CH2-CD1 2.81Å; W162-L166 HydrophobicContact CH2-CG 4.3Å; W162-L166 HydrophobicContact CZ2-CD1 3Å; W162-L166 HydrophobicContact CZ2-CG 4.42Å; W162-L166 HydrophobicContact CZ3-CD1 3.19Å; W162-L166 PolarHBondContact O-N 3.18Å
163M68.4Low61.1Low14 Ų1476.6 Ų76.67%0.06940%0.403CS..Hα-helixtrans-71-26173-73.1174.163.300112.3P3 R50 F52 L159 L160 P161 A167P3-M163 HydrophobicContact CB-CG 4.49Å; P3-M163 HydrophobicContact CG-CE 3.53Å; P3-M163 HydrophobicContact CG-CG 3.84Å; P3-M163 HydrophobicContact CG-SD 3.99Å; R50-M163 HydrophobicContact CB-CE 3.57Å; R50-M163 HydrophobicContact CG-CE 4.49Å; R50-M163 PolarHBondContact NH1-O 2.67Å; F52-M163 HydrophobicContact CB-CE 4.27Å; F52-M163 HydrophobicContact CB-SD 4.39Å; F52-M163 HydrophobicContact CD1-SD 4.44Å; L159-M163 VanDerWaalsContact O-CB 3.27Å; L159-M163 WeakPolarHBondContact O-CB 3.44Å; L159-M163 WeakPolarHBondContact O-CG 3.33Å; L159-M163 PolarHBondContact O-N 2.89Å; L160-M163 CarbonylContact O-C 3.55Å; L160-M163 PolarHBondContact O-N 3.14Å; L160-M163 VanDerWaalsContact O-N 3.17Å; P161-M163 PolarHBondContact O-N 2.94Å; M163-A167 PolarHBondContact O-N 3.13Å; M163-A167 VanDerWaalsContact O-N 3.14Å
164E67.8Low58.9Low108 Ų10881.9 Ų81.951%0.50542%0.421SS..Hα-helixtrans-69-45169.8-77.6177.9172.600111.5R50 L160 P161 W162 L166 A167R50-E164 VanDerWaalsContact CZ-CG 3.42Å; R50-E164 IonicContact CZ-OE1 2.8Å; R50-E164 IonicContact NH2-OE1 3.06Å; R50-E164 PolarHBondContact NH2-OE1 3.18Å; L160-E164 WeakPolarHBondContact O-CG 3.1Å; L160-E164 PolarHBondContact O-N 2.79Å; P161-E164 WeakPolarHBondContact O-CB 2.97Å; P161-E164 PolarHBondContact O-N 2.89Å; W162-E164 VanDerWaalsContact C-N 3.3Å; E164-L166 PolarHBondContact O-N 2.89Å; E164-A167 WeakPolarHBondContact O-CB 3.25Å; E164-A167 PolarHBondContact O-N 2.83Å
165D62Low57.2Low128 Ų12886.3 Ų86.368%0.68445%0.445SS*.Hα-helixtrans-66-21.5178-68.9-25000113.2P161 W162P161-D165 PolarHBondContact O-N 3Å; W162-D165 PolarHBondContact O-N 3.41Å
166L59.4Low55.6Low94 Ų9487.8 Ų87.849%0.49246%0.46SS..Hα-helixtrans-97-13.4176.5-104.6154.4000115.4W162 E164W162-L166 HydrophobicContact CD2-CD1 3.87Å; W162-L166 VanDerWaalsContact CE2-CD1 3.49Å; W162-L166 HydrophobicContact CE3-CD1 3.73Å; W162-L166 HydrophobicContact CH2-CD1 2.81Å; W162-L166 HydrophobicContact CH2-CG 4.3Å; W162-L166 HydrophobicContact CZ2-CD1 3Å; W162-L166 HydrophobicContact CZ2-CG 4.42Å; W162-L166 HydrophobicContact CZ3-CD1 3.19Å; W162-L166 PolarHBondContact O-N 3.18Å; E164-L166 PolarHBondContact O-N 2.89Å
167A50Low53.9Low46 Ų4689.8 Ų89.838%0.3847%0.47SS..SBendtrans-58.8129.3158.800000105.3M163 E164 Q169M163-A167 PolarHBondContact O-N 3.13Å; M163-A167 VanDerWaalsContact O-N 3.14Å; E164-A167 WeakPolarHBondContact O-CB 3.25Å; E164-A167 PolarHBondContact O-N 2.83Å; A167-Q169 PolarHBondContact O-N 3.11Å
168P42.9Very low52.7Low119 Ų11990.5 Ų90.577%0.77347%0.468SS*.PPolyproline II helixtrans-48.6118.6176-21.730.3000107.1E170P168-E170 PolarHBondContact O-N 3.36Å
169Q36.6Very low51.7Low171 Ų17198.1 Ų98.180%0.79950%0.497SS*.PPolyproline II helixtrans-50.7121.7153.4-72.6-168.9-11.600103.2A167 E171A167-Q169 PolarHBondContact O-N 3.11Å; Q169-E171 PolarHBondContact O-N 2.87Å
170E34Very low50.6Low183 Ų183100.5 Ų100.586%0.85552%0.516SS*.  trans-53.984.6173.7-68.4170.1160.100107.3P168 V172P168-E170 PolarHBondContact O-N 3.36Å; E170-V172 VanDerWaalsContact C-N 3.27Å; E170-V172 PolarHBondContact O-N 2.95Å; E170-V172 VanDerWaalsContact O-N 3.09Å
171E33.5Very low49.5Very low180 Ų180105.4 Ų105.484%0.84154%0.539SS*.  trans-59.6109.5147.5-81.2-169.5163.300102.1Q169 D173Q169-E171 PolarHBondContact O-N 2.87Å; E171-D173 PolarHBondContact O-N 2.98Å
172V32.5Very low48.3Very low101 Ų101108.4 Ų108.461%0.61255%0.547SS*.  trans-54.386.8172.7-178.20000106.1E170 E174 E177E170-V172 VanDerWaalsContact C-N 3.27Å; E170-V172 PolarHBondContact O-N 2.95Å; E170-V172 VanDerWaalsContact O-N 3.09Å; V172-E174 PolarHBondContact O-N 3.29Å; V172-E177 HydrophobicContact CG1-CG 3.82Å
173D37.5Very low47.1Very low103 Ų103113 Ų11355%0.55157%0.57SS**  trans-59.9131.1168.9-112.4-27.3000104.8E171 D175 A176 E177E171-D173 PolarHBondContact O-N 2.98Å; D173-D175 HydrophobicContact CB-CB 4.19Å; D173-D175 PolarHBondContact O-N 2.91Å; D173-A176 HydrophobicContact CB-CB 4.36Å; D173-A176 WeakPolarHBondContact O-CA 3.37Å; D173-A176 WeakPolarHBondContact O-CB 3.03Å; D173-A176 PolarHBondContact O-N 2.83Å; D173-E177 PolarHBondContact O-N 2.99Å; D173-E177 VanDerWaalsContact O-N 3.1Å
174E36.6Very low46.1Very low166 Ų166115.3 Ų115.378%0.77659%0.591SS**Hα-helixtrans-54.5-19.2170.2-68.9177.3162.100110.5V172 Y178V172-E174 PolarHBondContact O-N 3.29Å; E174-Y178 WeakPolarHBondContact O-CB 3.38Å; E174-Y178 PolarHBondContact O-N 2.61Å
175D46.9Very low44.9Very low93 Ų93118 Ų11850%0.49760%0.604SS.*Hα-helixtrans-71.1-38.1169.2-63.1-26.7000113.1D173 Y178 W179D173-D175 HydrophobicContact CB-CB 4.19Å; D173-D175 PolarHBondContact O-N 2.91Å; D175-Y178 WeakPolarHBondContact O-CB 3.42Å; D175-Y178 PolarHBondContact O-N 3.05Å; D175-W179 PolarHBondContact O-N 2.74Å
176A47.5Very low43.9Very low52 Ų52119.3 Ų119.343%0.4361%0.606SS.*Hα-helixtrans-69.8-34.1172.300000111.4D173 A180D173-A176 HydrophobicContact CB-CB 4.36Å; D173-A176 WeakPolarHBondContact O-CA 3.37Å; D173-A176 WeakPolarHBondContact O-CB 3.03Å; D173-A176 PolarHBondContact O-N 2.83Å; A176-A180 WeakPolarHBondContact O-CA 3.41Å; A176-A180 WeakPolarHBondContact O-CB 3.36Å; A176-A180 PolarHBondContact O-N 3.32Å
177E41.6Very low43Very low104 Ų104121.1 Ų121.149%0.48662%0.616SS.*Hα-helixtrans-68.3-34.2168.4-87.1-175.8171.700112.2V172 D173 Q181V172-E177 HydrophobicContact CG1-CG 3.82Å; D173-E177 PolarHBondContact O-N 2.99Å; D173-E177 VanDerWaalsContact O-N 3.1Å; E177-Q181 WeakPolarHBondContact O-CA 3.19Å; E177-Q181 WeakPolarHBondContact O-CB 3.15Å; E177-Q181 WeakPolarHBondContact O-CG 3.13Å; E177-Q181 PolarHBondContact O-N 2.81Å
178Y47.8Very low42.3Very low133 Ų133122.2 Ų122.252%0.52263%0.632SS.*Hα-helixtrans-66.8-44.9173.7179.9-94.9000111.8E174 D175 F182E174-Y178 WeakPolarHBondContact O-CB 3.38Å; E174-Y178 PolarHBondContact O-N 2.61Å; D175-Y178 WeakPolarHBondContact O-CB 3.42Å; D175-Y178 PolarHBondContact O-N 3.05Å; Y178-F182 HydrophobicContact CE1-CD2 4.47Å; Y178-F182 WeakPolarHBondContact O-CB 3.49Å; Y178-F182 PolarHBondContact O-N 2.75Å
179W51.1Low41.9Very low166 Ų166123.8 Ų123.863%0.62963%0.629SS**Hα-helixtrans-71.2-37.6174.9-72.1111.4000112.5D175 F182 E183D175-W179 PolarHBondContact O-N 2.74Å; W179-F182 WeakPolarHBondContact O-CB 3.49Å; W179-F182 PolarHBondContact O-N 2.76Å; W179-E183 WeakPolarHBondContact O-CB 3.39Å; W179-E183 WeakPolarHBondContact O-CG 2.97Å; W179-E183 PolarHBondContact O-N 3.36Å
180A51.3Low41.7Very low49 Ų49125.8 Ų125.841%0.40564%0.638SS.*Hα-helixtrans-74.1-28.9175.800000112.6A176 A184A176-A180 WeakPolarHBondContact O-CA 3.41Å; A176-A180 WeakPolarHBondContact O-CB 3.36Å; A176-A180 PolarHBondContact O-N 3.32Å; A180-A184 WeakPolarHBondContact O-CA 3.43Å; A180-A184 WeakPolarHBondContact O-CB 3.49Å; A180-A184 PolarHBondContact O-N 3.37Å
181Q47.3Very low41.4Very low116 Ų116125 Ų12554%0.54264%0.635SS.*Hα-helixtrans-71.5-36.6167.9-80.81744.400110.8E177 A184 E185E177-Q181 WeakPolarHBondContact O-CA 3.19Å; E177-Q181 WeakPolarHBondContact O-CB 3.15Å; E177-Q181 WeakPolarHBondContact O-CG 3.13Å; E177-Q181 PolarHBondContact O-N 2.81Å; Q181-A184 PolarHBondContact O-N 3.38Å; Q181-E185 VanDerWaalsContact O-CB 3.25Å; Q181-E185 WeakPolarHBondContact O-CB 3.33Å; Q181-E185 WeakPolarHBondContact O-CG 3.48Å; Q181-E185 PolarHBondContact O-N 3.37Å
182F46.7Very low41.3Very low114 Ų114124.4 Ų124.450%0.563%0.632SS.*Hα-helixtrans-63.1-45.7171.5-127.5-89.5000111.5Y178 W179 E186Y178-F182 HydrophobicContact CE1-CD2 4.47Å; Y178-F182 WeakPolarHBondContact O-CB 3.49Å; Y178-F182 PolarHBondContact O-N 2.75Å; W179-F182 WeakPolarHBondContact O-CB 3.49Å; W179-F182 PolarHBondContact O-N 2.76Å; F182-E186 PolarHBondContact O-N 2.93Å
183E47.7Very low41.6Very low132 Ų132129.5 Ų129.562%0.61765%0.649SS**Hα-helixtrans-67.3-36.1173.8-73.8-178.6170.200111.9W179 N187W179-E183 WeakPolarHBondContact O-CB 3.39Å; W179-E183 WeakPolarHBondContact O-CG 2.97Å; W179-E183 PolarHBondContact O-N 3.36Å; E183-N187 WeakPolarHBondContact O-CB 3.44Å; E183-N187 PolarHBondContact O-N 3.43Å; E183-N187 PolarHBondContact O-ND2 2.84Å
184A46.4Very low41.7Very low63 Ų63131.2 Ų131.252%0.52166%0.658SS.*Hα-helixtrans-80.3-27.1-178.700000114.1A180 Q181 N187A180-A184 WeakPolarHBondContact O-CA 3.43Å; A180-A184 WeakPolarHBondContact O-CB 3.49Å; A180-A184 PolarHBondContact O-N 3.37Å; Q181-A184 PolarHBondContact O-N 3.38Å; A184-N187 PolarHBondContact O-N 2.9Å
185E44.2Very low41.9Very low166 Ų166130.6 Ų130.678%0.77666%0.66SS**Hα-helixtrans-76.4-24.1172.6-75.8-174.7165.400112.1Q181Q181-E185 VanDerWaalsContact O-CB 3.25Å; Q181-E185 WeakPolarHBondContact O-CB 3.33Å; Q181-E185 WeakPolarHBondContact O-CG 3.48Å; Q181-E185 PolarHBondContact O-N 3.37Å
186E39.9Very low41.8Very low155 Ų155132.5 Ų132.572%0.72466%0.664SS**Hα-helixtrans-80.1-25.2167.9-104.6-179.7169.700113.3F182 G188F182-E186 PolarHBondContact O-N 2.93Å; E186-G188 PolarHBondContact O-N 3.43Å
187N40.3Very low42.1Very low131 Ų131133.5 Ų133.570%0.70166%0.662SS**THydrogen-bonded Turntrans-78.521.6-177.9-80.7-41.3000115.2E183 A184E183-N187 WeakPolarHBondContact O-CB 3.44Å; E183-N187 PolarHBondContact O-N 3.43Å; E183-N187 PolarHBondContact O-ND2 2.84Å; A184-N187 PolarHBondContact O-N 2.9Å
188G35.6Very low42.8Very low69 Ų69129.8 Ų129.871%0.71165%0.647SS**THydrogen-bonded Turntrans-88.8-6.8177.400000115.3E186E186-G188 PolarHBondContact O-N 3.43Å
189E35Very low43.3Very low152 Ų152128.8 Ų128.871%0.7165%0.647SS**SBendtrans-134.1129.9-178.5-64.7-176.1162.500108.9E191E189-E191 HydrophobicContact CB-CG 4.47Å; E189-E191 PolarHBondContact O-N 3.36Å
190E32Very low43.9Very low214 Ų214124.9 Ų124.9100%165%0.645SS**  trans-64.779.8177.4-66.4174.6154.800110.1
191E29.1Very low45Very low167 Ų167125.9 Ų125.978%0.7864%0.644SS**  trans-114.2150.6175.3-64.2-161.215900112E189E189-E191 HydrophobicContact CB-CG 4.47Å; E189-E191 PolarHBondContact O-N 3.36Å
192E31.4Very low46.6Very low166 Ų166122.3 Ų122.378%0.77663%0.63SS**  trans-67.2141.7-152.1-58.9170157.200114.5D194E192-D194 PolarHBondContact O-N 2.73Å
193E37Very low48.5Very low209 Ų209116.9 Ų116.998%0.97761%0.607SS**THydrogen-bonded Turntrans-59.314175-69.4-179.4153.800115.3
194D40.1Very low50.5Low138 Ų138114.8 Ų114.874%0.73860%0.595SS**THydrogen-bonded Turntrans-103.6-4.2-169.1-96-29.3000115.5E192E192-D194 PolarHBondContact O-N 2.73Å
195D41.8Very low52.5Low153 Ų153111.8 Ų111.882%0.81857%0.571SS**  trans-100.218.6-172.1-142.419.7000116.6D197D195-D197 PolarHBondContact O-N 3.2Å
196F43.3Very low54.7Low133 Ų133103.9 Ų103.958%0.58353%0.534SS*.  trans-7692.9168.7-170.8-96.6000110.6P198 L201 R378F196-P198 WeakPolarHBondContact O-CD 3.23Å; F196-L201 HydrophobicContact CE1-CD1 4.33Å; F196-L201 HydrophobicContact CZ-CD1 3.87Å; F196-R378 PolarHBondContact O-NH2 2.93Å
197D54.2Low57Low73 Ų7397.2 Ų97.239%0.3950%0.503SS..  trans-84.8112.1172.1-167.5-5.9000110.7D195 Q199 S200D195-D197 PolarHBondContact O-N 3.2Å; D197-Q199 PolarHBondContact O-N 3.14Å; D197-Q199 VanDerWaalsContact OD1-CB 3.26Å; D197-Q199 WeakPolarHBondContact OD1-CB 3.41Å; D197-Q199 VanDerWaalsContact OD1-CG 3.26Å; D197-Q199 WeakPolarHBondContact OD1-CG 3.49Å; D197-Q199 PolarHBondContact OD1-N 3.11Å; D197-S200 PolarHBondContact O-N 2.92Å; D197-S200 PolarHBondContact O-OG 3Å
198P55.9Low59.2Low27 Ų2791.1 Ų91.118%0.17547%0.47CS..THydrogen-bonded Turntrans-58.5-12.7173.6-19.532.5000113.4F196 S200 Y372F196-P198 WeakPolarHBondContact O-CD 3.23Å; P198-S200 VanDerWaalsContact C-N 3.34Å; P198-Y372 PolarHBondContact O-OH 3.07Å
199Q59.4Low61.6Low111 Ų11188 Ų8852%0.51944%0.438SS..THydrogen-bonded Turntrans-78.1-8.5171.2-55.4-179.411.300113.2D197 R250D197-Q199 PolarHBondContact O-N 3.14Å; D197-Q199 VanDerWaalsContact OD1-CB 3.26Å; D197-Q199 WeakPolarHBondContact OD1-CB 3.41Å; D197-Q199 VanDerWaalsContact OD1-CG 3.26Å; D197-Q199 WeakPolarHBondContact OD1-CG 3.49Å; D197-Q199 PolarHBondContact OD1-N 3.11Å; Q199-R250 VanDerWaalsContact C-NH2 3.34Å; Q199-R250 PolarHBondContact O-NH1 2.82Å; Q199-R250 PolarHBondContact O-NH2 2.79Å
200S64Low63.7Low84 Ų8482 Ų8259%0.58741%0.409SS*.THydrogen-bonded Turntrans-79.5-23.6170.364.20000112.4D197 P198D197-S200 PolarHBondContact O-N 2.92Å; D197-S200 PolarHBondContact O-OG 3Å; P198-S200 VanDerWaalsContact C-N 3.34Å
201L73.8Confident65.8Low71 Ų7174.7 Ų74.737%0.37238%0.38SS..SBendtrans-73.1145-173.3-66.2170.6000113.7F196 R250F196-L201 HydrophobicContact CE1-CD1 4.33Å; F196-L201 HydrophobicContact CZ-CD1 3.87Å; L201-R250 PolarHBondContact O-NH2 3.22Å
202P81.4Confident68.2Low40 Ų4072.6 Ų72.626%0.2638%0.375SS..  trans-67136.4175.826.8-34.3000111.2K204 E251 V253P202-K204 PolarHBondContact O-N 3.1Å; P202-E251 WeakPolarHBondContact CA-O 3.44Å; P202-E251 HydrophobicContact CB-CB 3.89Å; P202-V253 HydrophobicContact CB-CG2 3.93Å; P202-V253 HydrophobicContact CG-CG2 4.31Å
203I86.6Confident70.7Confident1 Ų164.7 Ų64.71%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-78.4113.3179.8-60.4174.7000109L205 R250 E251 Y252 V253 V287 V368 Y372I203-L205 PolarHBondContact O-N 3.35Å; I203-R250 HydrophobicContact CD1-CG 4.21Å; I203-E251 PolarHBondContact N-O 3.26Å; I203-Y252 HydrophobicContact CB-CD1 3.78Å; I203-Y252 HydrophobicContact CB-CE1 4.15Å; I203-Y252 HydrophobicContact CD1-CD1 4.36Å; I203-Y252 HydrophobicContact CD1-CE1 3.84Å; I203-Y252 HydrophobicContact CG2-CD1 4.17Å; I203-Y252 HydrophobicContact CG2-CE1 4.44Å; I203-Y252 CarbonylContact O-C 3.29Å; I203-Y252 WeakPolarHBondContact O-CA 3.4Å; I203-V253 PolarHBondContact O-N 3.24Å; I203-V287 HydrophobicContact CG2-CG2 4.14Å; I203-V368 HydrophobicContact CG2-CG1 4.34Å; I203-Y372 HydrophobicContact CD1-CD1 3.74Å; I203-Y372 HydrophobicContact CD1-CE1 4.3Å; I203-Y372 HydrophobicContact CD1-CG 3.87Å; I203-Y372 HydrophobicContact CG1-CD1 3.8Å; I203-Y372 HydrophobicContact CG1-CD2 4.12Å; I203-Y372 HydrophobicContact CG1-CE1 3.92Å; I203-Y372 HydrophobicContact CG1-CE2 4.24Å; I203-Y372 HydrophobicContact CG1-CG 3.9Å; I203-Y372 HydrophobicContact CG2-CD2 3.98Å; I203-Y372 HydrophobicContact CG2-CE2 4.49Å; I203-Y372 HydrophobicContact CG2-CG 4.22Å
204K88.6Confident72.8Confident87 Ų8755.4 Ų55.438%0.37830%0.298SS..EExtended strand (participates in β ladder)trans-77.1115.5174.4-59.7178.3-177.2-176.80110.2P202 V253 I255 D284 N286 V287P202-K204 PolarHBondContact O-N 3.1Å; K204-V253 CarbonylContact C-O 3.59Å; K204-V253 WeakPolarHBondContact CA-O 3.31Å; K204-V253 HydrophobicContact CG-CB 4.41Å; K204-I255 HydrophobicContact CB-CD1 3.74Å; K204-I255 HydrophobicContact CB-CG1 4.34Å; K204-I255 HydrophobicContact CD-CD1 4.18Å; K204-I255 HydrophobicContact CG-CD1 4.28Å; K204-D284 VanDerWaalsContact CD-O 3.31Å; K204-D284 WeakPolarHBondContact CD-O 3.12Å; K204-N286 WeakPolarHBondContact CB-OD1 3.33Å; K204-N286 PolarHBondContact N-OD1 3.31Å; K204-N286 PolarHBondContact O-N 3.04Å; K204-V287 PolarHBondContact O-N 3.04Å; K204-V287 VanDerWaalsContact O-N 3.11Å
205L89.9Confident74.8Confident0 Ų050.8 Ų50.80%027%0.271CS..EExtended strand (participates in β ladder)trans-113.3124.8-176.6-178.267.6000110.2I203 V253 L254 I255 V287 M289 V368I203-L205 PolarHBondContact O-N 3.35Å; L205-V253 PolarHBondContact N-O 3.41Å; L205-L254 HydrophobicContact CB-CD1 4.49Å; L205-L254 HydrophobicContact CD2-CD1 4.21Å; L205-L254 HydrophobicContact CG-CD1 4.31Å; L205-L254 CarbonylContact O-C 3.6Å; L205-L254 WeakPolarHBondContact O-CA 3.09Å; L205-I255 PolarHBondContact O-N 3.42Å; L205-V287 WeakPolarHBondContact CA-O 3.48Å; L205-V287 HydrophobicContact CD1-CB 4.08Å; L205-V287 HydrophobicContact CD1-CG1 4.16Å; L205-M289 HydrophobicContact CD1-CG 3.98Å; L205-M289 HydrophobicContact CD1-SD 3.87Å; L205-M289 HydrophobicContact CD2-SD 3.95Å; L205-M289 HydrophobicContact CG-SD 4.28Å; L205-V368 HydrophobicContact CD1-CG1 4Å; L205-V368 HydrophobicContact CD1-CG2 3.95Å
206A88.9Confident76.5Confident1 Ų145.4 Ų45.41%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-110138.3171.100000111.6V208 I255 A281 A285 V287 V288 M289A206-V208 HydrophobicContact CB-CG2 4.28Å; A206-I255 HydrophobicContact CB-CB 4.45Å; A206-A281 HydrophobicContact CB-CB 4.31Å; A206-A281 WeakPolarHBondContact CB-O 3.45Å; A206-A285 HydrophobicContact CB-CB 3.52Å; A206-V287 PolarHBondContact N-O 2.75Å; A206-V288 HydrophobicContact CB-CG2 4.49Å; A206-V288 WeakPolarHBondContact O-CA 3.48Å; A206-M289 PolarHBondContact O-N 2.91Å
207I88.4Confident78.4Confident15 Ų1541.7 Ų41.78%0.07723%0.234CC..EExtended strand (participates in β ladder)trans-106.7110.5175.4-57.6178.9000109K215 L218 I222 L254 M289 V291I207-K215 HydrophobicContact CG2-CB 4.24Å; I207-K215 HydrophobicContact CG2-CG 4.5Å; I207-L218 HydrophobicContact CG2-CD2 4.38Å; I207-I222 HydrophobicContact CD1-CD1 3.87Å; I207-L254 HydrophobicContact CD1-CD1 3.73Å; I207-L254 HydrophobicContact CG1-CD1 3.84Å; I207-M289 HydrophobicContact CD1-CE 4Å; I207-M289 HydrophobicContact CG1-CE 3.88Å; I207-M289 HydrophobicContact CG1-SD 4.5Å; I207-V291 HydrophobicContact CG2-CG2 3.69Å
208V87.5Confident79.9Confident2 Ų238.2 Ų38.21%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-120.3152.1-168.9171.20000110.2A206 T278 I282 V288 M289 L290 V291 L305A206-V208 HydrophobicContact CB-CG2 4.28Å; V208-T278 HydrophobicContact CB-CG2 4.16Å; V208-T278 HydrophobicContact CG1-CG2 3.51Å; V208-T278 HydrophobicContact CG2-CG2 3.89Å; V208-I282 HydrophobicContact CG1-CD1 4Å; V208-I282 HydrophobicContact CG1-CG1 4.37Å; V208-I282 HydrophobicContact CG2-CD1 4.16Å; V208-I282 HydrophobicContact CG2-CG1 3.62Å; V208-V288 HydrophobicContact CB-CG1 3.86Å; V208-V288 HydrophobicContact CG2-CG1 3.59Å; V208-M289 PolarHBondContact N-O 3.41Å; V208-L290 HydrophobicContact CG1-CD1 4.19Å; V208-V291 PolarHBondContact O-N 2.82Å; V208-L305 HydrophobicContact CG1-CD1 4.08Å; V208-L305 HydrophobicContact CG1-CD2 4.29Å
209G84.7Confident81.2Confident4 Ų437.2 Ų37.24%0.04121%0.209CC..EExtended strand (participates in β ladder)trans160.3178.2174.700000111.2K215G209-K215 PolarHBondContact O-NZ 3.44Å
210R80Confident82.2Confident27 Ų2734.5 Ų34.510%0.10220%0.198CC..  trans-63.7166.1175.9-81.3-170.8-69146-8.2114.1V213 K215 E296 G297 S299 Q301 D302R210-V213 HydrophobicContact CB-CG1 3.67Å; R210-V213 VanDerWaalsContact O-CG2 3.28Å; R210-V213 WeakPolarHBondContact O-CG2 3.49Å; R210-K215 PolarHBondContact O-NZ 2.91Å; R210-E296 IonicContact CZ-OE2 3.93Å; R210-E296 IonicContact NH1-OE2 2.75Å; R210-E296 PolarHBondContact NH1-OE2 3.36Å; R210-E296 IonicContact NH2-OE2 3.61Å; R210-G297 PolarHBondContact NH2-O 3.14Å; R210-G297 VanDerWaalsContact NH2-O 3.11Å; R210-S299 WeakPolarHBondContact CD-OG 3.34Å; R210-S299 VanDerWaalsContact CZ-OG 3.28Å; R210-S299 PolarHBondContact NE-OG 2.98Å; R210-Q301 HydrophobicContact CG-CB 4.09Å; R210-Q301 HydrophobicContact CG-CG 3.88Å; R210-D302 VanDerWaalsContact CG-OD1 3.31Å; R210-D302 WeakPolarHBondContact CG-OD1 3.39Å; R210-D302 IonicContact CZ-OD2 3.22Å; R210-D302 VanDerWaalsContact CZ-OD2 3.23Å; R210-D302 VanDerWaalsContact NE-CG 3.26Å; R210-D302 IonicContact NE-OD1 3.35Å; R210-D302 PolarHBondContact NE-OD1 3.39Å; R210-D302 IonicContact NE-OD2 2.95Å; R210-D302 PolarHBondContact NE-OD2 2.89Å; R210-D302 IonicContact NH2-OD2 2.89Å; R210-D302 PolarHBondContact NH2-OD2 3.43Å
211P75.4Confident83.1Confident60 Ų6035.6 Ų35.639%0.3919%0.189SC..THydrogen-bonded Turntrans-54.4149.4165.4-24.135.2000111.4V213P211-V213 PolarHBondContact O-N 3.36Å
212N79.3Confident83.5Confident123 Ų12332.2 Ų32.266%0.65817%0.171SC*.THydrogen-bonded Turntrans613.5173.5-59.7-38000118.5G214 K322N212-G214 PolarHBondContact O-N 2.86Å; N212-K322 WeakPolarHBondContact O-CE 3.26Å; N212-K322 PolarHBondContact O-NZ 2.96Å
213V84.7Confident83.4Confident0 Ų032 Ų320%017%0.167CC..SBendtrans-67.9-13.2172.8-56.10000113.4R210 P211 K215 V291 D293 N321R210-V213 HydrophobicContact CB-CG1 3.67Å; R210-V213 VanDerWaalsContact O-CG2 3.28Å; R210-V213 WeakPolarHBondContact O-CG2 3.49Å; P211-V213 PolarHBondContact O-N 3.36Å; V213-K215 HydrophobicContact CG2-CD 4.28Å; V213-K215 HydrophobicContact CG2-CG 3.53Å; V213-V291 HydrophobicContact CB-CG1 4.25Å; V213-V291 HydrophobicContact CG2-CB 3.96Å; V213-V291 HydrophobicContact CG2-CG1 3.81Å; V213-D293 HydrophobicContact CB-CB 4.41Å; V213-D293 HydrophobicContact CG1-CB 4.23Å; V213-N321 PolarHBondContact O-ND2 3.35Å
214G81.1Confident82.8Confident13 Ų1334.4 Ų34.413%0.13419%0.193CC..SBendtrans101.622.8177.800000115.3N212 S216 T217 L218N212-G214 PolarHBondContact O-N 2.86Å; G214-S216 PolarHBondContact O-N 3.45Å; G214-T217 WeakPolarHBondContact O-CB 3.47Å; G214-T217 PolarHBondContact O-N 2.95Å; G214-T217 VanDerWaalsContact O-N 3.15Å; G214-L218 PolarHBondContact O-N 3.43Å
215K82.4Confident81.9Confident41 Ų4131.8 Ų31.818%0.17818%0.182CC..Hα-helixtrans-51.9-54.1177.5-53.9-171.7-63.5-109.30112.7I207 G209 R210 V213 T217 L218 T219I207-K215 HydrophobicContact CG2-CB 4.24Å; I207-K215 HydrophobicContact CG2-CG 4.5Å; G209-K215 PolarHBondContact O-NZ 3.44Å; R210-K215 PolarHBondContact O-NZ 2.91Å; V213-K215 HydrophobicContact CG2-CD 4.28Å; V213-K215 HydrophobicContact CG2-CG 3.53Å; K215-T217 VanDerWaalsContact C-N 3.27Å; K215-T217 PolarHBondContact O-N 2.76Å; K215-L218 WeakPolarHBondContact O-CB 3.5Å; K215-L218 PolarHBondContact O-N 2.85Å; K215-L218 VanDerWaalsContact O-N 3.09Å; K215-T219 PolarHBondContact O-N 2.64Å; K215-T219 PolarHBondContact O-OG1 3.04Å; K215-T219 VanDerWaalsContact O-OG1 3.05Å
216S77.9Confident80.4Confident40 Ų4041.6 Ų41.628%0.2823%0.228SC..Hα-helixtrans-64.7-30.6179.9-47.40000112.9G214 N220G214-S216 PolarHBondContact O-N 3.45Å; S216-N220 WeakPolarHBondContact O-CB 3.42Å; S216-N220 PolarHBondContact O-N 2.96Å; S216-N220 VanDerWaalsContact O-N 3.1Å; S216-N220 PolarHBondContact O-ND2 3.18Å
217T82.3Confident79.3Confident55 Ų5549.2 Ų49.234%0.33726%0.256SS..Hα-helixtrans-67.5-44.8173.1-50.50000110.4G214 K215 N220 R221 A355G214-T217 WeakPolarHBondContact O-CB 3.47Å; G214-T217 PolarHBondContact O-N 2.95Å; G214-T217 VanDerWaalsContact O-N 3.15Å; K215-T217 VanDerWaalsContact C-N 3.27Å; K215-T217 PolarHBondContact O-N 2.76Å; T217-N220 PolarHBondContact O-N 3.04Å; T217-R221 WeakPolarHBondContact O-CB 3.44Å; T217-R221 PolarHBondContact O-N 2.92Å; T217-A355 HydrophobicContact CG2-CB 3.95Å
218L85.3Confident78.2Confident0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-63.2-45.1177.2-177.857.7000111.6I207 G214 K215 R221 I222 M289 V291 V319 I353 A355 V361 L364I207-L218 HydrophobicContact CG2-CD2 4.38Å; G214-L218 PolarHBondContact O-N 3.43Å; K215-L218 WeakPolarHBondContact O-CB 3.5Å; K215-L218 PolarHBondContact O-N 2.85Å; K215-L218 VanDerWaalsContact O-N 3.09Å; L218-R221 WeakPolarHBondContact O-CB 3.28Å; L218-R221 PolarHBondContact O-N 2.84Å; L218-I222 HydrophobicContact CD1-CD1 4.09Å; L218-I222 HydrophobicContact CD1-CG1 4.34Å; L218-I222 HydrophobicContact CG-CD1 3.91Å; L218-I222 WeakPolarHBondContact O-CB 3.12Å; L218-I222 WeakPolarHBondContact O-CG1 3.47Å; L218-I222 PolarHBondContact O-N 2.9Å; L218-M289 HydrophobicContact CD2-CE 3.58Å; L218-M289 HydrophobicContact CG-CE 4.33Å; L218-V291 HydrophobicContact CD2-CG2 3.72Å; L218-V319 HydrophobicContact CD2-CG1 4.2Å; L218-I353 HydrophobicContact CD1-CD1 3.5Å; L218-I353 HydrophobicContact CD2-CD1 4.08Å; L218-I353 HydrophobicContact CG-CD1 4.39Å; L218-A355 HydrophobicContact CB-CB 4.05Å; L218-A355 HydrophobicContact CD1-CB 4.27Å; L218-V361 HydrophobicContact CD1-CG1 4.27Å; L218-V361 HydrophobicContact CD1-CG2 4.29Å; L218-L364 HydrophobicContact CD1-CD1 4.09Å
219T83.3Confident77.3Confident7 Ų753 Ų534%0.04328%0.28CS..Hα-helixtrans-59.2-49.8176.6-54.70000112.2K215 R221 I222 L223 L254 T257 V260K215-T219 PolarHBondContact O-N 2.64Å; K215-T219 PolarHBondContact O-OG1 3.04Å; K215-T219 VanDerWaalsContact O-OG1 3.05Å; T219-R221 PolarHBondContact O-N 2.91Å; T219-I222 PolarHBondContact O-N 3.5Å; T219-L223 HydrophobicContact CG2-CD1 3.83Å; T219-L223 HydrophobicContact CG2-CG 4.31Å; T219-L223 WeakPolarHBondContact O-CG 3.49Å; T219-L223 PolarHBondContact O-N 3Å; T219-L254 HydrophobicContact CG2-CD2 3.45Å; T219-L254 VanDerWaalsContact CG2-CD2 3.45Å; T219-T257 HydrophobicContact CG2-CG2 3.7Å; T219-V260 HydrophobicContact CG2-CG2 3.58Å
220N79.8Confident76.4Confident54 Ų5455.3 Ų55.329%0.28929%0.293SS..Hα-helixtrans-62-34.4177.4-76.6-48.7000112S216 T217 G224 V260S216-N220 WeakPolarHBondContact O-CB 3.42Å; S216-N220 PolarHBondContact O-N 2.96Å; S216-N220 VanDerWaalsContact O-N 3.1Å; S216-N220 PolarHBondContact O-ND2 3.18Å; T217-N220 PolarHBondContact O-N 3.04Å; N220-G224 PolarHBondContact O-N 3.14Å; N220-V260 VanDerWaalsContact OD1-CG1 3.31Å; N220-V260 WeakPolarHBondContact OD1-CG1 3.26Å
221R83.3Confident75.7Confident106 Ų10658.8 Ų58.840%0.431%0.307SS..Hα-helixtrans-68.4-41.4177.1-168.369.6-135.7-1721.9111.7T217 L218 T219 G224 E225 V361T217-R221 WeakPolarHBondContact O-CB 3.44Å; T217-R221 PolarHBondContact O-N 2.92Å; L218-R221 WeakPolarHBondContact O-CB 3.28Å; L218-R221 PolarHBondContact O-N 2.84Å; T219-R221 PolarHBondContact O-N 2.91Å; R221-G224 PolarHBondContact O-N 2.77Å; R221-E225 WeakPolarHBondContact O-CG 3.31Å; R221-E225 PolarHBondContact O-N 2.93Å; R221-V361 HydrophobicContact CG-CG1 4.49Å; R221-V361 HydrophobicContact CG-CG2 4.17Å
222I82.6Confident74.7Confident1 Ų163 Ų631%0.00533%0.326CS..Hα-helixtrans-62.4-50.9175-75.8166.3000110.6I207 L218 T219 G224 E225 V228 M245 M289 V361 F365I207-I222 HydrophobicContact CD1-CD1 3.87Å; L218-I222 HydrophobicContact CD1-CD1 4.09Å; L218-I222 HydrophobicContact CD1-CG1 4.34Å; L218-I222 HydrophobicContact CG-CD1 3.91Å; L218-I222 WeakPolarHBondContact O-CB 3.12Å; L218-I222 WeakPolarHBondContact O-CG1 3.47Å; L218-I222 PolarHBondContact O-N 2.9Å; T219-I222 PolarHBondContact O-N 3.5Å; I222-G224 PolarHBondContact O-N 3.41Å; I222-E225 PolarHBondContact O-N 3.22Å; I222-V228 WeakPolarHBondContact O-CG2 3.48Å; I222-M245 HydrophobicContact CG2-CE 3.93Å; I222-M245 HydrophobicContact CG2-SD 4.12Å; I222-M289 HydrophobicContact CD1-CE 4.07Å; I222-V361 HydrophobicContact CG1-CG1 3.94Å; I222-F365 HydrophobicContact CG1-CE2 4.35Å; I222-F365 HydrophobicContact CG1-CZ 4.39Å; I222-F365 HydrophobicContact CG2-CE2 4.27Å; I222-F365 HydrophobicContact CG2-CZ 3.63Å
223L79Confident73.4Confident34 Ų3463.3 Ų63.318%0.17833%0.326CS..Hα-helixtrans-66.3-23.5-179.9-65.5172.2000112.9T219 V230 I243 M245T219-L223 HydrophobicContact CG2-CD1 3.83Å; T219-L223 HydrophobicContact CG2-CG 4.31Å; T219-L223 WeakPolarHBondContact O-CG 3.49Å; T219-L223 PolarHBondContact O-N 3Å; L223-V230 HydrophobicContact CB-CG2 4.5Å; L223-V230 HydrophobicContact CD2-CG2 3.74Å; L223-I243 HydrophobicContact CD1-CD1 4.21Å; L223-I243 HydrophobicContact CD2-CG2 4.13Å; L223-M245 HydrophobicContact CD2-SD 4.33Å
224G74Confident71.2Confident53 Ų5369.8 Ų69.855%0.54637%0.367SS..THydrogen-bonded Turntrans-978.4177.500000114.9N220 R221 I222N220-G224 PolarHBondContact O-N 3.14Å; R221-G224 PolarHBondContact O-N 2.77Å; I222-G224 PolarHBondContact O-N 3.41Å
225E70.4Confident69.7Low31 Ų3171.9 Ų71.915%0.14539%0.389CS..SBendtrans-71.3141.4171.6-71.6-154.9168.800110.5R221 I222 R227 V228 R247 V361R221-E225 WeakPolarHBondContact O-CG 3.31Å; R221-E225 PolarHBondContact O-N 2.93Å; I222-E225 PolarHBondContact O-N 3.22Å; E225-R227 PolarHBondContact O-N 3.44Å; E225-V228 HydrophobicContact CB-CG2 4.19Å; E225-V228 PolarHBondContact O-N 2.94Å; E225-R247 IonicContact OE2-CZ 3.43Å; E225-R247 VanDerWaalsContact OE2-CZ 3.22Å; E225-R247 IonicContact OE2-NH1 2.83Å; E225-R247 PolarHBondContact OE2-NH1 3.1Å; E225-R247 IonicContact OE2-NH2 2.82Å; E225-R247 PolarHBondContact OE2-NH2 2.93Å; E225-V361 WeakPolarHBondContact OE1-CB 3.36Å; E225-V361 VanDerWaalsContact OE1-CG1 3.23Å; E225-V361 WeakPolarHBondContact OE1-CG1 3.29Å
226E57.7Low67.8Low206 Ų20673.8 Ų73.896%0.96340%0.404SS*.THydrogen-bonded Turntrans-56.2-16.9-176-65.4-178.6170.400114.4
227R65.8Low65.9Low161 Ų16177.8 Ų77.861%0.60843%0.427SS*.THydrogen-bonded Turntrans-103.22-176.2-58-173-176-172.42.5114.2E225 R247 D248E225-R227 PolarHBondContact O-N 3.44Å; R227-R247 HydrophobicContact CB-CG 4.39Å; R227-D248 IonicContact NH1-OD1 2.64Å; R227-D248 PolarHBondContact NH1-OD1 3.4Å
228V64.7Low63.9Low17 Ų1786.4 Ų86.410%0.10345%0.454CS..EExtended strand (participates in β ladder)trans-102.8114.7-177.2173.50000109I222 E225 V230 M245 E246 R247I222-V228 WeakPolarHBondContact O-CG2 3.48Å; E225-V228 HydrophobicContact CB-CG2 4.19Å; E225-V228 PolarHBondContact O-N 2.94Å; V228-V230 HydrophobicContact CG1-CG2 4.03Å; V228-M245 HydrophobicContact CB-CE 4.2Å; V228-M245 HydrophobicContact CG1-CB 3.98Å; V228-M245 HydrophobicContact CG1-CE 3.49Å; V228-M245 VanDerWaalsContact CG1-CE 3.49Å; V228-M245 HydrophobicContact CG1-SD 4.23Å; V228-M245 HydrophobicContact CG2-CE 3.6Å; V228-E246 WeakPolarHBondContact CA-O 3.18Å; V228-R247 HydrophobicContact CG2-CB 4.36Å; V228-R247 HydrophobicContact CG2-CG 4.26Å
229V69.4Low62.1Low81 Ų8191.9 Ų91.949%0.49148%0.483SS..EExtended strand (participates in β ladder)trans-94.6121.6170.9-176.70000107.2M245 E246V229-M245 CarbonylContact O-C 3.55Å; V229-M245 VanDerWaalsContact O-CA 3.24Å; V229-M245 WeakPolarHBondContact O-CA 3.44Å; V229-E246 HydrophobicContact CB-CB 4.46Å; V229-E246 PolarHBondContact N-O 3.45Å; V229-E246 PolarHBondContact O-N 2.92Å
230V66.8Low60.6Low51 Ų5193.5 Ų93.531%0.30949%0.494SS..EExtended strand (participates in β ladder)trans-102.1128.2176.1-177.60000107.8L223 V228 I243L223-V230 HydrophobicContact CB-CG2 4.5Å; L223-V230 HydrophobicContact CD2-CG2 3.74Å; V228-V230 HydrophobicContact CG1-CG2 4.03Å; V230-I243 HydrophobicContact CG1-CG2 3.73Å
231Y63.9Low59.8Low101 Ų10193 Ų9340%0.39649%0.491SS..PPolyproline II helixtrans-85118173.4-56.2-87.3000109.2M233 P244 E246Y231-M233 PolarHBondContact O-N 3.12Å; Y231-P244 HydrophobicContact CD2-CB 4.16Å; Y231-P244 HydrophobicContact CD2-CG 4.45Å; Y231-P244 PolarHBondContact N-O 3.07Å; Y231-E246 HydrophobicContact CE2-CB 4.25Å; Y231-E246 PolarHBondContact OH-OE2 2.67Å; Y231-E246 VanDerWaalsContact OH-OE2 3.05Å
232D56Low59.4Low148 Ų14891.7 Ų91.779%0.79149%0.487SS*.  trans-80.889.3169.7-77.1-35.8000108.7P234D232-P234 VanDerWaalsContact O-CD 3.27Å; D232-P234 WeakPolarHBondContact O-CD 3.45Å
233M51.7Low59.1Low130 Ų13092.9 Ų92.964%0.6449%0.493SS*.  trans-81.9113.3165.4-84.3179.6173.100109.6Y231 G235Y231-M233 PolarHBondContact O-N 3.12Å; M233-G235 PolarHBondContact O-N 3.13Å; M233-G235 VanDerWaalsContact O-N 3.08Å
234P38.9Very low59.1Low135 Ų13593.1 Ų93.188%0.87750%0.497SS*.THydrogen-bonded Turntrans-79.588.2177.531.6-30.6000109.8D232D232-P234 VanDerWaalsContact O-CD 3.27Å; D232-P234 WeakPolarHBondContact O-CD 3.45Å
235G47.9Very low59.5Low57 Ų5790.7 Ų90.759%0.58847%0.471SS*.THydrogen-bonded Turntrans178.1-10.3178.900000118.6M233 T237M233-G235 PolarHBondContact O-N 3.13Å; M233-G235 VanDerWaalsContact O-N 3.08Å; G235-T237 PolarHBondContact O-N 3.09Å
236T43.3Very low60.1Low81 Ų8192.1 Ų92.150%0.49748%0.478SS..  trans-75.686.9-172.549.50000113
237T37.4Very low61.1Low125 Ų12582.9 Ų82.977%0.76743%0.434SS*.  trans-78.1122.8177.740.10000113G235 D239G235-T237 PolarHBondContact O-N 3.09Å; T237-D239 PolarHBondContact O-N 2.89Å
238R41.3Very low61.6Low236 Ų23678.9 Ų78.989%0.89143%0.425SS*.SBendtrans76.8-33.2149.5-73.3-176.9174.71720.4122.5
239D47.1Very low62.2Low114 Ų11481.1 Ų81.161%0.6145%0.452SS*.SBendtrans-138.8132.2-179.6-71-60000113.1T237T237-D239 PolarHBondContact O-N 2.89Å
240S52.3Low62.7Low41 Ų4179.4 Ų79.429%0.28744%0.436SS..  trans51.3104-175.245.80000116.6M1 Y242M1-S240 WeakPolarHBondContact CE-OG 3.3Å; S240-Y242 WeakPolarHBondContact O-CD2 3.41Å; S240-Y242 PolarHBondContact O-N 2.95Å; S240-Y242 VanDerWaalsContact O-N 3.16Å
241I62.2Low63.6Low44 Ų4481.9 Ų81.923%0.22644%0.444CS..  trans-79.4100.9177.2-53.9167.4000108.8I243 D256 R261I241-I243 HydrophobicContact CG2-CD1 4.11Å; I241-I243 HydrophobicContact CG2-CG1 3.57Å; I241-D256 PolarHBondContact O-N 2.75Å; I241-R261 HydrophobicContact CD1-CB 4.3Å
242Y74.2Confident64.7Low79 Ų7977.1 Ų77.131%0.3143%0.426SS..EExtended strand (participates in β ladder)trans-79.6120.2161.3-61.7-88.7000107.9S240 P244 V253 I255 D284S240-Y242 WeakPolarHBondContact O-CD2 3.41Å; S240-Y242 PolarHBondContact O-N 2.95Å; S240-Y242 VanDerWaalsContact O-N 3.16Å; Y242-P244 WeakPolarHBondContact O-CD 3.31Å; Y242-V253 HydrophobicContact CD1-CG1 3.75Å; Y242-V253 HydrophobicContact CG-CG1 4.26Å; Y242-I255 HydrophobicContact CD1-CD1 4.28Å; Y242-I255 HydrophobicContact CD1-CG1 3.82Å; Y242-I255 HydrophobicContact CE1-CD1 3.81Å; Y242-I255 HydrophobicContact CE1-CG1 3.8Å; Y242-I255 HydrophobicContact CE1-CG2 4.21Å; Y242-D284 PolarHBondContact OH-OD2 3.31Å
243I76.6Confident66.1Low25 Ų2571.2 Ų71.213%0.12840%0.395CS..EExtended strand (participates in β ladder)trans-106.9104.1175.8-53.4-177.6000107.9L223 V230 I241 L254 T257L223-I243 HydrophobicContact CD1-CD1 4.21Å; L223-I243 HydrophobicContact CD2-CG2 4.13Å; V230-I243 HydrophobicContact CG1-CG2 3.73Å; I241-I243 HydrophobicContact CG2-CD1 4.11Å; I241-I243 HydrophobicContact CG2-CG1 3.57Å; I243-L254 HydrophobicContact CB-CB 4.27Å; I243-L254 PolarHBondContact N-O 3.22Å; I243-L254 PolarHBondContact O-N 3.14Å; I243-T257 HydrophobicContact CD1-CG2 3.61Å; I243-T257 HydrophobicContact CG1-CG2 4.38Å
244P79.6Confident67.7Low40 Ų4065.1 Ų65.126%0.2637%0.365SS..EExtended strand (participates in β ladder)trans-67.9133171.529.4-34000109.6Y231 Y242Y231-P244 HydrophobicContact CD2-CB 4.16Å; Y231-P244 HydrophobicContact CD2-CG 4.45Å; Y231-P244 PolarHBondContact N-O 3.07Å; Y242-P244 WeakPolarHBondContact O-CD 3.31Å
245M82.5Confident69.6Low2 Ų258.9 Ų58.91%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-144.2143.3177.965.4175.5-85.700110.8I222 L223 V228 V229 Y252 F365I222-M245 HydrophobicContact CG2-CE 3.93Å; I222-M245 HydrophobicContact CG2-SD 4.12Å; L223-M245 HydrophobicContact CD2-SD 4.33Å; V228-M245 HydrophobicContact CB-CE 4.2Å; V228-M245 HydrophobicContact CG1-CB 3.98Å; V228-M245 HydrophobicContact CG1-CE 3.49Å; V228-M245 VanDerWaalsContact CG1-CE 3.49Å; V228-M245 HydrophobicContact CG1-SD 4.23Å; V228-M245 HydrophobicContact CG2-CE 3.6Å; V229-M245 CarbonylContact O-C 3.55Å; V229-M245 VanDerWaalsContact O-CA 3.24Å; V229-M245 WeakPolarHBondContact O-CA 3.44Å; M245-Y252 PolarHBondContact N-O 3.21Å; M245-Y252 PolarHBondContact O-N 2.59Å; M245-F365 HydrophobicContact CE-CE1 3.85Å; M245-F365 HydrophobicContact CE-CZ 3.79Å
246E82.3Confident70.5Confident61 Ų6157.8 Ų57.829%0.28531%0.305SS..EExtended strand (participates in β ladder)trans-108.2137.1174.6-161.1-164.4147.700109.7V228 V229 Y231 G249V228-E246 WeakPolarHBondContact CA-O 3.18Å; V229-E246 HydrophobicContact CB-CB 4.46Å; V229-E246 PolarHBondContact N-O 3.45Å; V229-E246 PolarHBondContact O-N 2.92Å; Y231-E246 HydrophobicContact CE2-CB 4.25Å; Y231-E246 PolarHBondContact OH-OE2 2.67Å; Y231-E246 VanDerWaalsContact OH-OE2 3.05Å; E246-G249 WeakPolarHBondContact OE1-CA 3.42Å
247R78.6Confident71Confident12 Ų1254.2 Ų54.25%0.04528%0.283CS..EExtended strand (participates in β ladder)trans-143.6129.7172-171.4-155.3178.492.9-5.4110.5E225 R227 V228 G249 R250 Y252 F365E225-R247 IonicContact OE2-CZ 3.43Å; E225-R247 VanDerWaalsContact OE2-CZ 3.22Å; E225-R247 IonicContact OE2-NH1 2.83Å; E225-R247 PolarHBondContact OE2-NH1 3.1Å; E225-R247 IonicContact OE2-NH2 2.82Å; E225-R247 PolarHBondContact OE2-NH2 2.93Å; R227-R247 HydrophobicContact CB-CG 4.39Å; V228-R247 HydrophobicContact CG2-CB 4.36Å; V228-R247 HydrophobicContact CG2-CG 4.26Å; R247-G249 PolarHBondContact O-N 3.12Å; R247-R250 PolarHBondContact N-O 3.27Å; R247-R250 PolarHBondContact O-N 3.07Å; R247-Y252 HydrophobicContact CB-CD2 4.22Å; R247-Y252 HydrophobicContact CB-CE2 3.91Å; R247-F365 VanDerWaalsContact NH1-CD2 3.3Å
248D77.9Confident71.5Confident76 Ų7651 Ų5141%0.40627%0.269SS..THydrogen-bonded Turntrans53.638.4177.5-56.5-47.3000112.6R227 R250R227-D248 IonicContact NH1-OD1 2.64Å; R227-D248 PolarHBondContact NH1-OD1 3.4Å; D248-R250 VanDerWaalsContact C-N 3.26Å; D248-R250 PolarHBondContact O-N 2.82Å
249G75.5Confident71.9Confident65 Ų6541.2 Ų41.267%0.6724%0.241SC*.THydrogen-bonded Turntrans75.59.2-17900000114.8E246 R247E246-G249 WeakPolarHBondContact OE1-CA 3.42Å; R247-G249 PolarHBondContact O-N 3.12Å
250R81.8Confident71.9Confident45 Ų4537.2 Ų37.217%0.1722%0.221CC..EExtended strand (participates in β ladder)trans-115.6133178.7-175.665-179.4-15819110.8Q199 L201 I203 R247 D248 Y252Q199-R250 VanDerWaalsContact C-NH2 3.34Å; Q199-R250 PolarHBondContact O-NH1 2.82Å; Q199-R250 PolarHBondContact O-NH2 2.79Å; L201-R250 PolarHBondContact O-NH2 3.22Å; I203-R250 HydrophobicContact CD1-CG 4.21Å; R247-R250 PolarHBondContact N-O 3.27Å; R247-R250 PolarHBondContact O-N 3.07Å; D248-R250 VanDerWaalsContact C-N 3.26Å; D248-R250 PolarHBondContact O-N 2.82Å; R250-Y252 HydrophobicContact CB-CE2 3.76Å; R250-Y252 HydrophobicContact CG-CD2 4.49Å; R250-Y252 HydrophobicContact CG-CE2 3.81Å; R250-Y252 WeakPolarHBondContact O-CD2 3.45Å; R250-Y252 VanDerWaalsContact O-CE2 3.26Å; R250-Y252 WeakPolarHBondContact O-CE2 3.11Å
251E85Confident71.4Confident102 Ų10243.4 Ų43.448%0.47724%0.238SC..EExtended strand (participates in β ladder)trans-79.8135.1174.4-60.3-173.9169.700112P202 I203P202-E251 WeakPolarHBondContact CA-O 3.44Å; P202-E251 HydrophobicContact CB-CB 3.89Å; I203-E251 PolarHBondContact N-O 3.26Å
252Y86.4Confident70.7Confident2 Ų248.1 Ų48.11%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-129.2148.1173.2-58.5-97.9000109.3I203 M245 R247 R250 F365 V368 R369I203-Y252 HydrophobicContact CB-CD1 3.78Å; I203-Y252 HydrophobicContact CB-CE1 4.15Å; I203-Y252 HydrophobicContact CD1-CD1 4.36Å; I203-Y252 HydrophobicContact CD1-CE1 3.84Å; I203-Y252 HydrophobicContact CG2-CD1 4.17Å; I203-Y252 HydrophobicContact CG2-CE1 4.44Å; I203-Y252 CarbonylContact O-C 3.29Å; I203-Y252 WeakPolarHBondContact O-CA 3.4Å; M245-Y252 PolarHBondContact N-O 3.21Å; M245-Y252 PolarHBondContact O-N 2.59Å; R247-Y252 HydrophobicContact CB-CD2 4.22Å; R247-Y252 HydrophobicContact CB-CE2 3.91Å; R250-Y252 HydrophobicContact CB-CE2 3.76Å; R250-Y252 HydrophobicContact CG-CD2 4.49Å; R250-Y252 HydrophobicContact CG-CE2 3.81Å; R250-Y252 WeakPolarHBondContact O-CD2 3.45Å; R250-Y252 VanDerWaalsContact O-CE2 3.26Å; R250-Y252 WeakPolarHBondContact O-CE2 3.11Å; Y252-F365 HydrophobicContact CE1-CD1 4.25Å; Y252-V368 HydrophobicContact CE1-CG1 4.2Å; Y252-R369 WeakPolarHBondContact OH-CD 3.44Å; Y252-R369 WeakPolarHBondContact OH-CG 3.29Å
253V86.1Confident69.2Low23 Ų2353.3 Ų53.314%0.13928%0.276CS..EExtended strand (participates in β ladder)trans-120.7113.91711740000107.8P202 I203 K204 L205 Y242 I255P202-V253 HydrophobicContact CB-CG2 3.93Å; P202-V253 HydrophobicContact CG-CG2 4.31Å; I203-V253 PolarHBondContact O-N 3.24Å; K204-V253 CarbonylContact C-O 3.59Å; K204-V253 WeakPolarHBondContact CA-O 3.31Å; K204-V253 HydrophobicContact CG-CB 4.41Å; L205-V253 PolarHBondContact N-O 3.41Å; Y242-V253 HydrophobicContact CD1-CG1 3.75Å; Y242-V253 HydrophobicContact CG-CG1 4.26Å; V253-I255 PolarHBondContact O-N 2.84Å
254L85.2Confident67.5Low2 Ų255.3 Ų55.31%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-82.1117.5176.4-174.671.7000109.6L205 I207 T219 I243 T257L205-L254 HydrophobicContact CB-CD1 4.49Å; L205-L254 HydrophobicContact CD2-CD1 4.21Å; L205-L254 HydrophobicContact CG-CD1 4.31Å; L205-L254 CarbonylContact O-C 3.6Å; L205-L254 WeakPolarHBondContact O-CA 3.09Å; I207-L254 HydrophobicContact CD1-CD1 3.73Å; I207-L254 HydrophobicContact CG1-CD1 3.84Å; T219-L254 HydrophobicContact CG2-CD2 3.45Å; T219-L254 VanDerWaalsContact CG2-CD2 3.45Å; I243-L254 HydrophobicContact CB-CB 4.27Å; I243-L254 PolarHBondContact N-O 3.22Å; I243-L254 PolarHBondContact O-N 3.14Å; L254-T257 HydrophobicContact CD2-CG2 3.45Å; L254-T257 VanDerWaalsContact CD2-CG2 3.45Å; L254-T257 HydrophobicContact CG-CG2 4.04Å
255I79.5Confident65.4Low5 Ų563.1 Ų63.13%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-93130.5178.6-55.5-173.3000110K204 L205 A206 Y242 V253 A281 D284 A285K204-I255 HydrophobicContact CB-CD1 3.74Å; K204-I255 HydrophobicContact CB-CG1 4.34Å; K204-I255 HydrophobicContact CD-CD1 4.18Å; K204-I255 HydrophobicContact CG-CD1 4.28Å; L205-I255 PolarHBondContact O-N 3.42Å; A206-I255 HydrophobicContact CB-CB 4.45Å; Y242-I255 HydrophobicContact CD1-CD1 4.28Å; Y242-I255 HydrophobicContact CD1-CG1 3.82Å; Y242-I255 HydrophobicContact CE1-CD1 3.81Å; Y242-I255 HydrophobicContact CE1-CG1 3.8Å; Y242-I255 HydrophobicContact CE1-CG2 4.21Å; V253-I255 PolarHBondContact O-N 2.84Å; I255-A281 HydrophobicContact CG2-CB 3.78Å; I255-D284 HydrophobicContact CD1-CB 3.75Å; I255-A285 HydrophobicContact CD1-CB 4.27Å
256D65.5Low63.6Low33 Ų3367 Ų6718%0.17635%0.353CS..  trans60.486.3170.2-164.214.4000115.7I241 A258 A281I241-D256 PolarHBondContact O-N 2.75Å; D256-A258 WeakPolarHBondContact OD1-CB 3.41Å; D256-A258 PolarHBondContact OD1-N 3.19Å; D256-A258 VanDerWaalsContact OD1-N 3.11Å; D256-A281 HydrophobicContact CB-CB 3.72Å
257T53.5Low61.5Low6 Ų669.7 Ų69.74%0.03737%0.373CS..  trans-99.242.6169.959.70000112.1T219 I243 L254 G259 V260T219-T257 HydrophobicContact CG2-CG2 3.7Å; I243-T257 HydrophobicContact CD1-CG2 3.61Å; I243-T257 HydrophobicContact CG1-CG2 4.38Å; L254-T257 HydrophobicContact CD2-CG2 3.45Å; L254-T257 VanDerWaalsContact CD2-CG2 3.45Å; L254-T257 HydrophobicContact CG-CG2 4.04Å; T257-G259 PolarHBondContact O-N 3.02Å; T257-V260 HydrophobicContact CG2-CG2 4.19Å; T257-V260 PolarHBondContact O-N 3.48Å
258A49.1Very low59.9Low57 Ų5775.5 Ų75.547%0.47141%0.406SS..THydrogen-bonded Turntrans-44.3-20-17900000115.9D256D256-A258 WeakPolarHBondContact OD1-CB 3.41Å; D256-A258 PolarHBondContact OD1-N 3.19Å; D256-A258 VanDerWaalsContact OD1-N 3.11Å
259G48.9Very low58.2Low31 Ų3175.6 Ų75.632%0.3242%0.417SS..THydrogen-bonded Turntrans-104.6-3175.300000117.9T257T257-G259 PolarHBondContact O-N 3.02Å
260V46.8Very low57Low30 Ų3075.9 Ų75.918%0.18241%0.405CS..THydrogen-bonded Turntrans-88.9-37.6-172-177.80000112.4T219 N220 T257T219-V260 HydrophobicContact CG2-CG2 3.58Å; N220-V260 VanDerWaalsContact OD1-CG1 3.31Å; N220-V260 WeakPolarHBondContact OD1-CG1 3.26Å; T257-V260 HydrophobicContact CG2-CG2 4.19Å; T257-V260 PolarHBondContact O-N 3.48Å
261R42.9Very low55.4Low172 Ų17278.7 Ų78.765%0.64942%0.42SS*.SBendtrans-88.1-15.4-178.2-102.5-178.2178.2177.20.4115.7I241I241-R261 HydrophobicContact CD1-CB 4.3Å
262K46.8Very low53.6Low143 Ų14379.9 Ų79.962%0.62242%0.424SS*.  trans-102.824.7-169.3-89.1174.8168-172.90115.9G264 I266K262-G264 PolarHBondContact O-N 3.17Å; K262-I266 HydrophobicContact CB-CD1 3.76Å; K262-I266 HydrophobicContact CD-CD1 3.64Å; K262-I266 HydrophobicContact CG-CD1 3.98Å
263R41.9Very low51.9Low187 Ų18783.4 Ų83.471%0.70644%0.44SS*.THydrogen-bonded Turntrans-66.517-178.7-88.3-175.8167.8177-3116.6
264G41.8Very low50.7Low67 Ų6784.1 Ų84.169%0.69145%0.446SS*.THydrogen-bonded Turntrans-93.5-39.8-173.600000116.8K262K262-G264 PolarHBondContact O-N 3.17Å
265K35.7Very low49.8Very low204 Ų20485.7 Ų85.789%0.88746%0.455SS*.  trans174.791.8-172.2-102.7160-174.5-176.60109.1
266I43.8Very low49.3Very low85 Ų8585.7 Ų85.744%0.43646%0.455SS..  trans-138.8109.2168.5-58.7-176.8000108.5K262 V270K262-I266 HydrophobicContact CB-CD1 3.76Å; K262-I266 HydrophobicContact CD-CD1 3.64Å; K262-I266 HydrophobicContact CG-CD1 3.98Å; I266-V270 HydrophobicContact CG2-CB 3.58Å; I266-V270 HydrophobicContact CG2-CG1 4.34Å; I266-V270 HydrophobicContact CG2-CG2 3.42Å; I266-V270 VanDerWaalsContact CG2-CG2 3.42Å
267T39.7Very low49.5Very low116 Ų11688.8 Ų88.871%0.71247%0.467SS*.  trans-60.5145.6166.842.70000110.8A269T267-A269 PolarHBondContact O-N 3.3Å
268D44.6Very low50.6Low135 Ų13589.1 Ų89.172%0.72247%0.469SS*.G310 helixtrans-42.6-9-176-60.4-30.1000118V270D268-V270 VanDerWaalsContact C-N 3.31Å; D268-V270 PolarHBondContact O-N 2.88Å
269A41.6Very low52Low78 Ų7886.6 Ų86.665%0.64545%0.447SS*.G310 helixtrans-70-19-179.200000114.8T267T267-A269 PolarHBondContact O-N 3.3Å
270V49.6Very low53.3Low70 Ų7086 Ų8642%0.42444%0.437SS..G310 helixtrans-92.7-5.1-174.1-173.90000113I266 D268 K272 F273I266-V270 HydrophobicContact CG2-CB 3.58Å; I266-V270 HydrophobicContact CG2-CG1 4.34Å; I266-V270 HydrophobicContact CG2-CG2 3.42Å; I266-V270 VanDerWaalsContact CG2-CG2 3.42Å; D268-V270 VanDerWaalsContact C-N 3.31Å; D268-V270 PolarHBondContact O-N 2.88Å; V270-K272 PolarHBondContact O-N 2.77Å; V270-F273 HydrophobicContact CG1-CD2 4.26Å; V270-F273 PolarHBondContact O-N 2.86Å
271E49.5Very low55Low104 Ų10484.9 Ų84.949%0.48643%0.43SS..G310 helixtrans-71.5-14.9-172.1-63-165.7147.600114.6
272K46.5Very low57Low128 Ų12876.7 Ų76.756%0.55740%0.399SS*.G310 helixtrans-79.3-25.9179.2-67.4-178.2-176.6174.10113.7L77 V270 S274L77-K272 HydrophobicContact CD1-CB 4.41Å; L77-K272 HydrophobicContact CD1-CD 3.78Å; L77-K272 HydrophobicContact CD2-CB 4.41Å; V270-K272 PolarHBondContact O-N 2.77Å; K272-S274 PolarHBondContact O-N 3.43Å
273F50.1Low58.6Low76 Ų7669.9 Ų69.933%0.33337%0.37SS..G310 helixtrans-68.50.7-179.9-71.3-80.3000115E80 E81 V270E80-F273 HydrophobicContact CB-CE1 4.43Å; E80-F273 WeakPolarHBondContact OE2-CZ 3.42Å; E81-F273 HydrophobicContact CG-CD1 3.9Å; E81-F273 HydrophobicContact CG-CE1 4.36Å; E81-F273 WeakPolarHBondContact OE1-CA 3.49Å; V270-F273 HydrophobicContact CG1-CD2 4.26Å; V270-F273 PolarHBondContact O-N 2.86Å
274S62.3Low60.6Low38 Ų3862.6 Ų62.627%0.26635%0.345SS..Hα-helixtrans-85.1-22.7-172.2-165.70000113.1K272 T278K272-S274 PolarHBondContact O-N 3.43Å; S274-T278 VanDerWaalsContact O-CB 3.28Å; S274-T278 WeakPolarHBondContact O-CB 3.39Å; S274-T278 PolarHBondContact O-N 2.82Å; S274-T278 PolarHBondContact O-OG1 3.11Å
275V66.3Low62.7Low35 Ų3559.4 Ų59.421%0.21231%0.312CS..Hα-helixtrans-69.6-51.7-167.1-178.10000111.5Y42 K277 T278 L279Y42-V275 HydrophobicContact CE2-CG1 4.36Å; V275-K277 PolarHBondContact O-N 3.22Å; V275-T278 VanDerWaalsContact O-CB 3.28Å; V275-T278 WeakPolarHBondContact O-CB 3.19Å; V275-T278 PolarHBondContact O-N 2.97Å; V275-T278 VanDerWaalsContact O-N 3.16Å; V275-L279 HydrophobicContact CG1-CD1 4.4Å; V275-L279 WeakPolarHBondContact O-CG 3.16Å; V275-L279 PolarHBondContact O-N 3.33Å
276I67.9Low65.3Low5 Ų551 Ų513%0.02628%0.276CS..Hα-helixtrans-68.1-39.5-177.3-70.8172.5000111.7V4 Y42 I55 E81 T278 L279 Q280V4-I276 HydrophobicContact CB-CG2 4.3Å; V4-I276 HydrophobicContact CG1-CD1 4.21Å; V4-I276 HydrophobicContact CG1-CG2 4Å; V4-I276 HydrophobicContact CG2-CG2 3.57Å; Y42-I276 HydrophobicContact CE1-CG1 4.33Å; I55-I276 HydrophobicContact CD1-CD1 3.09Å; I55-I276 HydrophobicContact CD1-CG1 3.69Å; E81-I276 HydrophobicContact CB-CB 4.39Å; E81-I276 HydrophobicContact CB-CD1 3.43Å; E81-I276 VanDerWaalsContact CB-CD1 3.43Å; E81-I276 HydrophobicContact CB-CG1 4.41Å; E81-I276 HydrophobicContact CG-CD1 4.33Å; E81-I276 WeakPolarHBondContact OE2-CB 3.39Å; E81-I276 WeakPolarHBondContact OE2-CD1 3.34Å; E81-I276 VanDerWaalsContact OE2-CG1 3.28Å; E81-I276 WeakPolarHBondContact OE2-CG1 3.44Å; I276-T278 PolarHBondContact O-N 3.46Å; I276-L279 CarbonylContact O-C 3.55Å; I276-L279 WeakPolarHBondContact O-CA 2.99Å; I276-L279 WeakPolarHBondContact O-CB 3.4Å; I276-L279 PolarHBondContact O-N 2.93Å; I276-Q280 HydrophobicContact CG2-CG 4.44Å; I276-Q280 PolarHBondContact O-N 3.22Å
277K70.4Confident67.5Low97 Ų9747 Ų4742%0.42226%0.256SS..Hα-helixtrans-58.2-39.9172.2-65.6-167.7175.1-161.70112.1V275 L279 Q280 A281V275-K277 PolarHBondContact O-N 3.22Å; K277-L279 VanDerWaalsContact C-N 3.34Å; K277-L279 PolarHBondContact O-N 3.25Å; K277-Q280 PolarHBondContact O-N 2.85Å; K277-A281 VanDerWaalsContact O-CB 3.26Å; K277-A281 WeakPolarHBondContact O-CB 3.46Å; K277-A281 PolarHBondContact O-N 2.66Å
278T76.9Confident70Confident13 Ų1341.4 Ų41.48%0.0822%0.222CC..Hα-helixtrans-62.5-41.5173-57.10000111.3V208 S274 V275 I276 A281 I282 L305V208-T278 HydrophobicContact CB-CG2 4.16Å; V208-T278 HydrophobicContact CG1-CG2 3.51Å; V208-T278 HydrophobicContact CG2-CG2 3.89Å; S274-T278 VanDerWaalsContact O-CB 3.28Å; S274-T278 WeakPolarHBondContact O-CB 3.39Å; S274-T278 PolarHBondContact O-N 2.82Å; S274-T278 PolarHBondContact O-OG1 3.11Å; V275-T278 VanDerWaalsContact O-CB 3.28Å; V275-T278 WeakPolarHBondContact O-CB 3.19Å; V275-T278 PolarHBondContact O-N 2.97Å; V275-T278 VanDerWaalsContact O-N 3.16Å; I276-T278 PolarHBondContact O-N 3.46Å; T278-A281 PolarHBondContact O-N 3.11Å; T278-I282 HydrophobicContact CG2-CD1 4.19Å; T278-I282 WeakPolarHBondContact O-CD1 3.43Å; T278-I282 WeakPolarHBondContact O-CG1 3.35Å; T278-I282 PolarHBondContact O-N 3.49Å; T278-L305 HydrophobicContact CG2-CD2 4.15Å
279L78Confident72.2Confident4 Ų435.1 Ų35.12%0.02119%0.188CC..Hα-helixtrans-66.5-43.8177.8-61.9174.1000112.1Y42 I53 V275 I276 K277 A281 I282 E283 F308Y42-L279 HydrophobicContact CD1-CD1 3.28Å; Y42-L279 HydrophobicContact CD2-CD1 4.25Å; Y42-L279 HydrophobicContact CE1-CD1 3.67Å; Y42-L279 HydrophobicContact CG-CD1 3.61Å; I53-L279 HydrophobicContact CD1-CB 3.99Å; V275-L279 HydrophobicContact CG1-CD1 4.4Å; V275-L279 WeakPolarHBondContact O-CG 3.16Å; V275-L279 PolarHBondContact O-N 3.33Å; I276-L279 CarbonylContact O-C 3.55Å; I276-L279 WeakPolarHBondContact O-CA 2.99Å; I276-L279 WeakPolarHBondContact O-CB 3.4Å; I276-L279 PolarHBondContact O-N 2.93Å; K277-L279 VanDerWaalsContact C-N 3.34Å; K277-L279 PolarHBondContact O-N 3.25Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 3.44Å; L279-I282 HydrophobicContact CD2-CD1 4.39Å; L279-I282 WeakPolarHBondContact O-CB 3.4Å; L279-I282 PolarHBondContact O-N 3.34Å; L279-E283 PolarHBondContact O-N 2.88Å; L279-F308 HydrophobicContact CB-CE1 3.87Å; L279-F308 HydrophobicContact CB-CZ 3.94Å; L279-F308 HydrophobicContact CD2-CB 4.18Å; L279-F308 HydrophobicContact CD2-CD1 3.36Å; L279-F308 HydrophobicContact CD2-CD2 3.83Å; L279-F308 HydrophobicContact CD2-CE1 3.56Å; L279-F308 HydrophobicContact CD2-CE2 4Å; L279-F308 HydrophobicContact CD2-CG 3.51Å; L279-F308 HydrophobicContact CD2-CZ 3.87Å; L279-F308 HydrophobicContact CG-CE1 4.29Å; L279-F308 HydrophobicContact CG-CZ 4.37Å
280Q76.9Confident74.6Confident20 Ų2031.4 Ų31.49%0.09316%0.157CC..Hα-helixtrans-61.1-43173.6-71.6174.7-42.800111V2 V4 I53 I276 K277 I282 E283 D284V2-Q280 PolarHBondContact O-NE2 3.14Å; V4-Q280 HydrophobicContact CG2-CG 4.06Å; I53-Q280 HydrophobicContact CD1-CG 4.09Å; I276-Q280 HydrophobicContact CG2-CG 4.44Å; I276-Q280 PolarHBondContact O-N 3.22Å; K277-Q280 PolarHBondContact O-N 2.85Å; Q280-I282 VanDerWaalsContact C-N 3.32Å; Q280-I282 PolarHBondContact O-N 2.99Å; Q280-E283 PolarHBondContact O-N 3.16Å; Q280-E283 VanDerWaalsContact O-N 3.14Å; Q280-D284 PolarHBondContact O-N 3Å
281A82Confident76.5Confident5 Ų528.1 Ų28.14%0.04114%0.137CC..Hα-helixtrans-62.7-37.3175.900000112.6A206 I255 D256 K277 T278 L279 A285A206-A281 HydrophobicContact CB-CB 4.31Å; A206-A281 WeakPolarHBondContact CB-O 3.45Å; I255-A281 HydrophobicContact CG2-CB 3.78Å; D256-A281 HydrophobicContact CB-CB 3.72Å; K277-A281 VanDerWaalsContact O-CB 3.26Å; K277-A281 WeakPolarHBondContact O-CB 3.46Å; K277-A281 PolarHBondContact O-N 2.66Å; T278-A281 PolarHBondContact O-N 3.11Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 3.44Å; A281-A285 WeakPolarHBondContact O-CB 3.37Å; A281-A285 PolarHBondContact O-N 3Å; A281-A285 VanDerWaalsContact O-N 3.13Å
282I84.8Confident78.4Confident0 Ų023.3 Ų23.30%012%0.115CC..Hα-helixtrans-63.5-44.2172.9-70.2160.9000110.4V208 T278 L279 Q280 V288 L305 F308 I309 R314V208-I282 HydrophobicContact CG1-CD1 4Å; V208-I282 HydrophobicContact CG1-CG1 4.37Å; V208-I282 HydrophobicContact CG2-CD1 4.16Å; V208-I282 HydrophobicContact CG2-CG1 3.62Å; T278-I282 HydrophobicContact CG2-CD1 4.19Å; T278-I282 WeakPolarHBondContact O-CD1 3.43Å; T278-I282 WeakPolarHBondContact O-CG1 3.35Å; T278-I282 PolarHBondContact O-N 3.49Å; L279-I282 HydrophobicContact CD2-CD1 4.39Å; L279-I282 WeakPolarHBondContact O-CB 3.4Å; L279-I282 PolarHBondContact O-N 3.34Å; Q280-I282 VanDerWaalsContact C-N 3.32Å; Q280-I282 PolarHBondContact O-N 2.99Å; I282-V288 HydrophobicContact CB-CG2 4.43Å; I282-V288 HydrophobicContact CG1-CG1 4.23Å; I282-V288 HydrophobicContact CG1-CG2 4.38Å; I282-V288 HydrophobicContact CG2-CG2 4.17Å; I282-L305 HydrophobicContact CD1-CD2 4.48Å; I282-F308 HydrophobicContact CB-CD1 4.15Å; I282-F308 HydrophobicContact CB-CE1 4.02Å; I282-F308 HydrophobicContact CD1-CD1 3.78Å; I282-F308 HydrophobicContact CD1-CE1 4.32Å; I282-F308 HydrophobicContact CG2-CD1 3.75Å; I282-F308 HydrophobicContact CG2-CE1 3.82Å; I282-I309 HydrophobicContact CD1-CD1 4.47Å; I282-I309 HydrophobicContact CD1-CG1 3.86Å; I282-I309 HydrophobicContact CG1-CG1 4.05Å; I282-I309 HydrophobicContact CG2-CB 4.41Å; I282-I309 HydrophobicContact CG2-CG1 3.85Å; I282-R314 VanDerWaalsContact O-CG 3.31Å; I282-R314 WeakPolarHBondContact O-CG 3.28Å
283E81.1Confident80.5Confident1 Ų117.3 Ų17.31%0.0059%0.089CC..Hα-helixtrans-69.8-38.4-178.8-72.4-171.4163.300112.6V2 I53 L279 Q280 A285 F308 R314V2-E283 VanDerWaalsContact CB-OE2 3.29Å; V2-E283 WeakPolarHBondContact CB-OE2 3.49Å; V2-E283 WeakPolarHBondContact CG1-OE2 3.47Å; V2-E283 HydrophobicContact CG2-CB 4.05Å; V2-E283 WeakPolarHBondContact CG2-OE2 3.48Å; I53-E283 HydrophobicContact CD1-CG 4.48Å; I53-E283 VanDerWaalsContact CD1-OE2 3.28Å; I53-E283 WeakPolarHBondContact CD1-OE2 3.44Å; I53-E283 WeakPolarHBondContact CG1-OE1 3.34Å; I53-E283 WeakPolarHBondContact CG1-OE2 3.43Å; L279-E283 PolarHBondContact O-N 2.88Å; Q280-E283 PolarHBondContact O-N 3.16Å; Q280-E283 VanDerWaalsContact O-N 3.14Å; E283-A285 VanDerWaalsContact C-N 3.31Å; E283-A285 PolarHBondContact O-N 3.16Å; E283-F308 HydrophobicContact CG-CE1 4.03Å; E283-F308 HydrophobicContact CG-CZ 3.98Å; E283-F308 WeakPolarHBondContact OE1-CZ 3.43Å; E283-R314 PolarHBondContact O-NE 3.1Å; E283-R314 VanDerWaalsContact O-NE 3.1Å; E283-R314 PolarHBondContact O-NH2 2.81Å
284D82.9Confident82.3Confident34 Ų3413.8 Ų13.818%0.1827%0.074CC..Hα-helixtrans-75-19.9179-74.2-8.5000113.2K204 Y242 I255 Q280K204-D284 VanDerWaalsContact CD-O 3.31Å; K204-D284 WeakPolarHBondContact CD-O 3.12Å; Y242-D284 PolarHBondContact OH-OD2 3.31Å; I255-D284 HydrophobicContact CD1-CB 3.75Å; Q280-D284 PolarHBondContact O-N 3Å
285A87.1Confident83.4Confident0 Ų019 Ų190%09%0.088CC..  trans-81.4148.6-178.300000113.7A206 I255 A281 E283 V288 R314A206-A285 HydrophobicContact CB-CB 3.52Å; I255-A285 HydrophobicContact CD1-CB 4.27Å; A281-A285 WeakPolarHBondContact O-CB 3.37Å; A281-A285 PolarHBondContact O-N 3Å; A281-A285 VanDerWaalsContact O-N 3.13Å; E283-A285 VanDerWaalsContact C-N 3.31Å; E283-A285 PolarHBondContact O-N 3.16Å; A285-V288 HydrophobicContact CB-CG2 4.13Å; A285-R314 WeakPolarHBondContact O-CD 3.37Å; A285-R314 WeakPolarHBondContact O-CG 3.45Å; A285-R314 PolarHBondContact O-NE 2.76Å; A285-R314 VanDerWaalsContact O-NE 3.12Å
286N89.1Confident84.2Confident27 Ų2723.3 Ų23.314%0.14411%0.106CC..SBendtrans-81.6-44.7166.6-55.7103.1000110.4K204 S315 Y372 N416K204-N286 WeakPolarHBondContact CB-OD1 3.33Å; K204-N286 PolarHBondContact N-OD1 3.31Å; K204-N286 PolarHBondContact O-N 3.04Å; N286-S315 PolarHBondContact O-N 2.92Å; N286-S315 VanDerWaalsContact O-N 3.14Å; N286-Y372 HydrophobicContact CB-CD2 3.77Å; N286-Y372 HydrophobicContact CB-CE2 3.73Å; N286-N416 PolarHBondContact ND2-ND2 2.82Å
287V90.9Very high84.8Confident0 Ų023.9 Ų23.90%011%0.113CC..EExtended strand (participates in β ladder)trans-121.5131.5-179.5-172.40000109.6I203 K204 L205 A206 S315 V317 V368 Y372I203-V287 HydrophobicContact CG2-CG2 4.14Å; K204-V287 PolarHBondContact O-N 3.04Å; K204-V287 VanDerWaalsContact O-N 3.11Å; L205-V287 WeakPolarHBondContact CA-O 3.48Å; L205-V287 HydrophobicContact CD1-CB 4.08Å; L205-V287 HydrophobicContact CD1-CG1 4.16Å; A206-V287 PolarHBondContact N-O 2.75Å; V287-S315 CarbonylContact C-O 3.59Å; V287-S315 WeakPolarHBondContact CA-O 3.3Å; V287-V317 HydrophobicContact CG1-CG2 4.09Å; V287-V368 HydrophobicContact CB-CG1 4.23Å; V287-V368 HydrophobicContact CG1-CB 4.46Å; V287-V368 HydrophobicContact CG1-CG1 4.11Å; V287-V368 HydrophobicContact CG1-CG2 4.22Å; V287-V368 HydrophobicContact CG2-CG1 4.23Å; V287-Y372 HydrophobicContact CG2-CD2 4.29Å
288V91.3Very high85.4Confident0 Ų019.9 Ų19.90%010%0.096CC..EExtended strand (participates in β ladder)trans-113.3123.7177.6-176.60000109.5A206 V208 I282 A285 I309 R314 S315 L316 V317A206-V288 HydrophobicContact CB-CG2 4.49Å; A206-V288 WeakPolarHBondContact O-CA 3.48Å; V208-V288 HydrophobicContact CB-CG1 3.86Å; V208-V288 HydrophobicContact CG2-CG1 3.59Å; I282-V288 HydrophobicContact CB-CG2 4.43Å; I282-V288 HydrophobicContact CG1-CG1 4.23Å; I282-V288 HydrophobicContact CG1-CG2 4.38Å; I282-V288 HydrophobicContact CG2-CG2 4.17Å; A285-V288 HydrophobicContact CB-CG2 4.13Å; V288-I309 HydrophobicContact CB-CD1 4.28Å; V288-I309 HydrophobicContact CB-CG1 4.4Å; V288-I309 HydrophobicContact CB-CG2 4.12Å; V288-I309 HydrophobicContact CG1-CD1 3.54Å; V288-I309 HydrophobicContact CG1-CG1 3.96Å; V288-I309 HydrophobicContact CG2-CG2 4.3Å; V288-R314 HydrophobicContact CG2-CB 3.99Å; V288-R314 HydrophobicContact CG2-CG 4.5Å; V288-S315 PolarHBondContact N-O 2.66Å; V288-L316 WeakPolarHBondContact O-CA 3.33Å; V288-V317 PolarHBondContact O-N 3.49Å
289M91.5Very high85.6Confident2 Ų220.6 Ų20.61%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-91.8109.9169.6-78.3170.833.800109.7L205 A206 I207 V208 L218 I222 V317 V319 L364 V368L205-M289 HydrophobicContact CD1-CG 3.98Å; L205-M289 HydrophobicContact CD1-SD 3.87Å; L205-M289 HydrophobicContact CD2-SD 3.95Å; L205-M289 HydrophobicContact CG-SD 4.28Å; A206-M289 PolarHBondContact O-N 2.91Å; I207-M289 HydrophobicContact CD1-CE 4Å; I207-M289 HydrophobicContact CG1-CE 3.88Å; I207-M289 HydrophobicContact CG1-SD 4.5Å; V208-M289 PolarHBondContact N-O 3.41Å; L218-M289 HydrophobicContact CD2-CE 3.58Å; L218-M289 HydrophobicContact CG-CE 4.33Å; I222-M289 HydrophobicContact CD1-CE 4.07Å; M289-V317 CarbonylContact C-O 3.4Å; M289-V317 WeakPolarHBondContact CA-O 3.28Å; M289-V317 HydrophobicContact CG-CB 4.27Å; M289-V319 HydrophobicContact CB-CG2 4.37Å; M289-V319 HydrophobicContact CE-CG2 4.37Å; M289-V319 HydrophobicContact CG-CG2 4.37Å; M289-L364 HydrophobicContact CE-CD1 4.23Å; M289-V368 HydrophobicContact CG-CG2 4.35Å; M289-V368 HydrophobicContact SD-CG2 4.18Å
290L90.7Very high85.5Confident1 Ų126.2 Ų26.21%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-87.9109.5173.8-178.565.1000109.9V208 I292 L305 L306 I309 L316 V317 V319V208-L290 HydrophobicContact CG1-CD1 4.19Å; L290-I292 HydrophobicContact CD2-CD1 4.38Å; L290-I292 HydrophobicContact CG-CG1 4.28Å; L290-L305 HydrophobicContact CD1-CB 4.38Å; L290-L306 HydrophobicContact CD2-CB 4.02Å; L290-L306 HydrophobicContact CD2-CD1 3.6Å; L290-L306 HydrophobicContact CD2-CG 4.49Å; L290-I309 HydrophobicContact CB-CD1 4.43Å; L290-I309 HydrophobicContact CD1-CD1 4.46Å; L290-L316 HydrophobicContact CB-CD1 3.78Å; L290-V317 PolarHBondContact N-O 2.73Å; L290-V319 PolarHBondContact O-N 2.78Å
291V90.6Very high85.5Confident0 Ų029.5 Ų29.50%015%0.147CC..EExtended strand (participates in β ladder)trans-90.9121.2179.6-171.70000110.3I207 V208 V213 L218 V319 N321I207-V291 HydrophobicContact CG2-CG2 3.69Å; V208-V291 PolarHBondContact O-N 2.82Å; V213-V291 HydrophobicContact CB-CG1 4.25Å; V213-V291 HydrophobicContact CG2-CB 3.96Å; V213-V291 HydrophobicContact CG2-CG1 3.81Å; L218-V291 HydrophobicContact CD2-CG2 3.72Å; V291-V319 CarbonylContact C-O 3.6Å; V291-V319 VanDerWaalsContact CA-O 3.31Å; V291-V319 WeakPolarHBondContact CA-O 3.31Å; V291-V319 HydrophobicContact CG2-CB 4.39Å; V291-N321 HydrophobicContact CG1-CB 3.82Å
292I89.9Confident85.5Confident3 Ų329.4 Ų29.42%0.01515%0.146CC..EExtended strand (participates in β ladder)trans-116142.2179.1-55.9176.1000108.4L290 I298 I318 V319 N321L290-I292 HydrophobicContact CD2-CD1 4.38Å; L290-I292 HydrophobicContact CG-CG1 4.28Å; I292-I298 HydrophobicContact CD1-CG1 4.28Å; I292-I298 HydrophobicContact CG2-CG1 4.41Å; I292-I318 HydrophobicContact CD1-CG2 3.8Å; I292-V319 PolarHBondContact N-O 2.81Å; I292-N321 PolarHBondContact O-N 2.78Å
293D90.3Very high85.3Confident3 Ų330.4 Ų30.42%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-83.1120.1173.5-168.1-25.4000110.7V213 R295 E296 G297 K322V213-D293 HydrophobicContact CB-CB 4.41Å; V213-D293 HydrophobicContact CG1-CB 4.23Å; D293-R295 PolarHBondContact O-N 2.98Å; D293-R295 WeakPolarHBondContact OD1-CB 3.45Å; D293-R295 PolarHBondContact OD1-N 3.42Å; D293-E296 HydrophobicContact CB-CB 4.39Å; D293-E296 PolarHBondContact O-N 3.43Å; D293-G297 PolarHBondContact O-N 3.31Å; D293-K322 WeakPolarHBondContact OD2-CD 3.13Å; D293-K322 WeakPolarHBondContact OD2-CE 3.27Å; D293-K322 IonicContact OD2-NZ 3.99Å; D293-K322 PolarHBondContact OD2-NZ 3.15Å
294A87.8Confident85.1Confident2 Ų233 Ų332%0.01717%0.169CC..THydrogen-bonded Turntrans-61.1-25.517700000113.7V320 N321 W323 L326 V334A294-V320 HydrophobicContact CB-CG1 3.64Å; A294-N321 WeakPolarHBondContact CB-O 3.42Å; A294-N321 PolarHBondContact N-O 2.79Å; A294-W323 HydrophobicContact CB-CE3 3.78Å; A294-W323 HydrophobicContact CB-CZ3 4.28Å; A294-L326 HydrophobicContact CB-CD1 3.72Å; A294-V334 WeakPolarHBondContact O-CG2 3.29Å
295R85.2Confident85Confident146 Ų14632 Ų3255%0.55116%0.164SC*.THydrogen-bonded Turntrans-81.2-34-176.2-60.4-179.2-178.5-177.32.1112.8D293 K322 D324 L326D293-R295 PolarHBondContact O-N 2.98Å; D293-R295 WeakPolarHBondContact OD1-CB 3.45Å; D293-R295 PolarHBondContact OD1-N 3.42Å; R295-K322 HydrophobicContact CG-CB 4.42Å; R295-D324 IonicContact NH2-OD2 3.33Å; R295-D324 PolarHBondContact NH2-OD2 2.9Å; R295-L326 HydrophobicContact CG-CD2 4.21Å
296E82.6Confident84.9Confident126 Ų12632.1 Ų32.159%0.58916%0.164SC*.THydrogen-bonded Turntrans-94.2-20.9179.5-64.3-175.7178.400112.4R210 D293R210-E296 IonicContact CZ-OE2 3.93Å; R210-E296 IonicContact NH1-OE2 2.75Å; R210-E296 PolarHBondContact NH1-OE2 3.36Å; R210-E296 IonicContact NH2-OE2 3.61Å; D293-E296 HydrophobicContact CB-CB 4.39Å; D293-E296 PolarHBondContact O-N 3.43Å
297G81Confident84.5Confident17 Ų1731 Ų3118%0.17516%0.16CC..  trans72.5-165-172.900000112.6R210 D293R210-G297 PolarHBondContact NH2-O 3.14Å; R210-G297 VanDerWaalsContact NH2-O 3.11Å; D293-G297 PolarHBondContact O-N 3.31Å
298I83.1Confident83.9Confident13 Ų1331.8 Ų31.87%0.06716%0.163CC..  trans-78.4125.1179.4-61.6166.4000109.6I292 D302 L303 L338 R341 L342I292-I298 HydrophobicContact CD1-CG1 4.28Å; I292-I298 HydrophobicContact CG2-CG1 4.41Å; I298-D302 HydrophobicContact CG2-CB 4.2Å; I298-L303 HydrophobicContact CG2-CD1 4.48Å; I298-L303 HydrophobicContact CG2-CD2 3.93Å; I298-L303 HydrophobicContact CG2-CG 3.84Å; I298-L338 HydrophobicContact CD1-CD2 3.63Å; I298-L338 HydrophobicContact CG1-CD2 3.86Å; I298-R341 HydrophobicContact CD1-CB 3.68Å; I298-R341 HydrophobicContact CD1-CG 4.46Å; I298-R341 PolarHBondContact O-NH1 3.25Å; I298-L342 HydrophobicContact CD1-CD1 4.01Å; I298-L342 HydrophobicContact CD1-CD2 4.17Å; I298-L342 HydrophobicContact CD1-CG 3.79Å
299S80.8Confident83.6Confident29 Ų2931.8 Ų31.820%0.20316%0.163CC..  trans-95.6168168.572.20000112.1R210 Q301 D302 L303R210-S299 WeakPolarHBondContact CD-OG 3.34Å; R210-S299 VanDerWaalsContact CZ-OG 3.28Å; R210-S299 PolarHBondContact NE-OG 2.98Å; S299-Q301 PolarHBondContact O-N 3.36Å; S299-Q301 PolarHBondContact OG-N 3.47Å; S299-D302 WeakPolarHBondContact CB-OD2 3.5Å; S299-D302 PolarHBondContact N-OD2 2.94Å; S299-D302 PolarHBondContact O-N 3.27Å; S299-D302 VanDerWaalsContact OG-CG 3.27Å; S299-D302 PolarHBondContact OG-N 3Å; S299-D302 PolarHBondContact OG-OD2 3.35Å; S299-L303 PolarHBondContact O-N 3.28Å
300D76.6Confident83.2Confident121 Ų12132.3 Ų32.365%0.64717%0.166SC*.Hα-helixtrans-62.1-32.3173.4-62-38.2000112.4L303 S304D300-L303 WeakPolarHBondContact O-CB 3.43Å; D300-L303 PolarHBondContact O-N 2.95Å; D300-S304 PolarHBondContact O-N 3.2Å; D300-S304 PolarHBondContact O-OG 2.73Å; D300-S304 VanDerWaalsContact O-OG 3.11Å
301Q75.7Confident82.6Confident89 Ų8935.8 Ų35.842%0.41618%0.184SC..Hα-helixtrans-68.2-34.8176.8-178.1176.922.900112.1R210 S299 L303 S304 L305R210-Q301 HydrophobicContact CG-CB 4.09Å; R210-Q301 HydrophobicContact CG-CG 3.88Å; S299-Q301 PolarHBondContact O-N 3.36Å; S299-Q301 PolarHBondContact OG-N 3.47Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-S304 PolarHBondContact O-N 2.99Å; Q301-L305 WeakPolarHBondContact O-CG 3.44Å; Q301-L305 PolarHBondContact O-N 3.21Å
302D83.1Confident82Confident3 Ų335.8 Ų35.82%0.01618%0.184CC..Hα-helixtrans-64.8-39.6173.3-58.3-52000110.4R210 I298 S299 L305 L306R210-D302 VanDerWaalsContact CG-OD1 3.31Å; R210-D302 WeakPolarHBondContact CG-OD1 3.39Å; R210-D302 IonicContact CZ-OD2 3.22Å; R210-D302 VanDerWaalsContact CZ-OD2 3.23Å; R210-D302 VanDerWaalsContact NE-CG 3.26Å; R210-D302 IonicContact NE-OD1 3.35Å; R210-D302 PolarHBondContact NE-OD1 3.39Å; R210-D302 IonicContact NE-OD2 2.95Å; R210-D302 PolarHBondContact NE-OD2 2.89Å; R210-D302 IonicContact NH2-OD2 2.89Å; R210-D302 PolarHBondContact NH2-OD2 3.43Å; I298-D302 HydrophobicContact CG2-CB 4.2Å; S299-D302 WeakPolarHBondContact CB-OD2 3.5Å; S299-D302 PolarHBondContact N-OD2 2.94Å; S299-D302 PolarHBondContact O-N 3.27Å; S299-D302 VanDerWaalsContact OG-CG 3.27Å; S299-D302 PolarHBondContact OG-N 3Å; S299-D302 PolarHBondContact OG-OD2 3.35Å; D302-L305 PolarHBondContact O-N 2.66Å; D302-L306 WeakPolarHBondContact O-CB 3.16Å; D302-L306 PolarHBondContact O-N 3.29Å
303L80.4Confident81.6Confident21 Ų2135.6 Ų35.611%0.1118%0.184CC..Hα-helixtrans-64.8-40.2174.9-66.6175.6000111.9L36 I298 S299 D300 Q301 L306 G307L36-L303 HydrophobicContact CD2-CB 4.26Å; L36-L303 WeakPolarHBondContact CD2-O 3.47Å; I298-L303 HydrophobicContact CG2-CD1 4.48Å; I298-L303 HydrophobicContact CG2-CD2 3.93Å; I298-L303 HydrophobicContact CG2-CG 3.84Å; S299-L303 PolarHBondContact O-N 3.28Å; D300-L303 WeakPolarHBondContact O-CB 3.43Å; D300-L303 PolarHBondContact O-N 2.95Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; L303-L306 HydrophobicContact CD2-CD2 4.4Å; L303-L306 WeakPolarHBondContact O-CB 3.29Å; L303-L306 PolarHBondContact O-N 2.93Å; L303-G307 PolarHBondContact O-N 3.05Å
304S76.5Confident81.4Confident56 Ų5637.2 Ų37.239%0.39219%0.19SC..Hα-helixtrans-62.8-45.8175.2-55.40000112.3D300 Q301 G307 F308D300-S304 PolarHBondContact O-N 3.2Å; D300-S304 PolarHBondContact O-OG 2.73Å; D300-S304 VanDerWaalsContact O-OG 3.11Å; Q301-S304 PolarHBondContact O-N 2.99Å; S304-G307 PolarHBondContact O-N 2.88Å; S304-F308 PolarHBondContact O-N 3.27Å
305L81.7Confident81.5Confident14 Ų1437.1 Ų37.17%0.07319%0.189CC..Hα-helixtrans-62.1-44.7176.5-74.2173.2000111.4V208 T278 I282 L290 Q301 D302 G307 F308 I309V208-L305 HydrophobicContact CG1-CD1 4.08Å; V208-L305 HydrophobicContact CG1-CD2 4.29Å; T278-L305 HydrophobicContact CG2-CD2 4.15Å; I282-L305 HydrophobicContact CD1-CD2 4.48Å; L290-L305 HydrophobicContact CD1-CB 4.38Å; Q301-L305 WeakPolarHBondContact O-CG 3.44Å; Q301-L305 PolarHBondContact O-N 3.21Å; D302-L305 PolarHBondContact O-N 2.66Å; L305-G307 PolarHBondContact O-N 3.33Å; L305-F308 WeakPolarHBondContact O-CB 3.33Å; L305-F308 PolarHBondContact O-N 3.36Å; L305-I309 WeakPolarHBondContact O-CG1 3.29Å; L305-I309 PolarHBondContact O-N 3Å
306L84.9Confident81.8Confident1 Ų130.2 Ų30.21%0.00516%0.163CC..Hα-helixtrans-57.8-47.9174.818097.5000111.6L290 D302 L303 F308 I309 L310 L316 L342 F344 I345L290-L306 HydrophobicContact CD2-CB 4.02Å; L290-L306 HydrophobicContact CD2-CD1 3.6Å; L290-L306 HydrophobicContact CD2-CG 4.49Å; D302-L306 WeakPolarHBondContact O-CB 3.16Å; D302-L306 PolarHBondContact O-N 3.29Å; L303-L306 HydrophobicContact CD2-CD2 4.4Å; L303-L306 WeakPolarHBondContact O-CB 3.29Å; L303-L306 PolarHBondContact O-N 2.93Å; L306-F308 PolarHBondContact O-N 3.47Å; L306-I309 PolarHBondContact O-N 3.46Å; L306-I309 VanDerWaalsContact O-N 3.16Å; L306-L310 HydrophobicContact CD2-CD1 4.31Å; L306-L310 HydrophobicContact CG-CD1 4.24Å; L306-L310 VanDerWaalsContact O-CG 3.28Å; L306-L310 WeakPolarHBondContact O-CG 3.42Å; L306-L310 PolarHBondContact O-N 3.45Å; L306-L316 HydrophobicContact CD1-CD1 4.47Å; L306-L316 HydrophobicContact CD1-CD2 3.52Å; L306-L342 HydrophobicContact CD2-CD2 4.36Å; L306-F344 HydrophobicContact CD2-CE2 3.91Å; L306-F344 HydrophobicContact CD2-CZ 3.57Å; L306-I345 HydrophobicContact CD1-CD1 3.5Å; L306-I345 VanDerWaalsContact CD1-CD1 3.5Å; L306-I345 HydrophobicContact CD2-CD1 3.24Å; L306-I345 HydrophobicContact CD2-CG1 4.48Å; L306-I345 HydrophobicContact CG-CD1 3.77Å
307G79.8Confident82.3Confident5 Ų524.2 Ų24.25%0.05214%0.135CC..Hα-helixtrans-57.1-39.3176.200000112.2L303 S304 L305 N311L303-G307 PolarHBondContact O-N 3.05Å; S304-G307 PolarHBondContact O-N 2.88Å; L305-G307 PolarHBondContact O-N 3.33Å; G307-N311 WeakPolarHBondContact O-CB 3.43Å; G307-N311 PolarHBondContact O-N 3.37Å; G307-N311 PolarHBondContact O-ND2 2.93Å; G307-N311 VanDerWaalsContact O-ND2 3.16Å
308F79.1Confident82.7Confident15 Ų1523.5 Ų23.57%0.06613%0.127CC..Hα-helixtrans-65.5-46.8174.6-171.5-97.1000112.4I53 L279 I282 E283 S304 L305 L306 L310 N311 S312I53-F308 HydrophobicContact CD1-CZ 4.36Å; L279-F308 HydrophobicContact CB-CE1 3.87Å; L279-F308 HydrophobicContact CB-CZ 3.94Å; L279-F308 HydrophobicContact CD2-CB 4.18Å; L279-F308 HydrophobicContact CD2-CD1 3.36Å; L279-F308 HydrophobicContact CD2-CD2 3.83Å; L279-F308 HydrophobicContact CD2-CE1 3.56Å; L279-F308 HydrophobicContact CD2-CE2 4Å; L279-F308 HydrophobicContact CD2-CG 3.51Å; L279-F308 HydrophobicContact CD2-CZ 3.87Å; L279-F308 HydrophobicContact CG-CE1 4.29Å; L279-F308 HydrophobicContact CG-CZ 4.37Å; I282-F308 HydrophobicContact CB-CD1 4.15Å; I282-F308 HydrophobicContact CB-CE1 4.02Å; I282-F308 HydrophobicContact CD1-CD1 3.78Å; I282-F308 HydrophobicContact CD1-CE1 4.32Å; I282-F308 HydrophobicContact CG2-CD1 3.75Å; I282-F308 HydrophobicContact CG2-CE1 3.82Å; E283-F308 HydrophobicContact CG-CE1 4.03Å; E283-F308 HydrophobicContact CG-CZ 3.98Å; E283-F308 WeakPolarHBondContact OE1-CZ 3.43Å; S304-F308 PolarHBondContact O-N 3.27Å; L305-F308 WeakPolarHBondContact O-CB 3.33Å; L305-F308 PolarHBondContact O-N 3.36Å; L306-F308 PolarHBondContact O-N 3.47Å; F308-L310 VanDerWaalsContact C-N 3.31Å; F308-L310 PolarHBondContact O-N 2.82Å; F308-N311 CarbonylContact O-C 3.59Å; F308-N311 PolarHBondContact O-N 3.17Å; F308-N311 VanDerWaalsContact O-N 3.14Å; F308-S312 WeakPolarHBondContact CE1-OG 3.34Å; F308-S312 PolarHBondContact O-N 3.07Å; F308-S312 PolarHBondContact O-OG 2.91Å; F308-S312 VanDerWaalsContact O-OG 3.1Å
309I84.6Confident83.2Confident0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-57.5-45177.9-63.3161.8000111.3I282 V288 L290 L305 L306 S312 G313 R314 L316I282-I309 HydrophobicContact CD1-CD1 4.47Å; I282-I309 HydrophobicContact CD1-CG1 3.86Å; I282-I309 HydrophobicContact CG1-CG1 4.05Å; I282-I309 HydrophobicContact CG2-CB 4.41Å; I282-I309 HydrophobicContact CG2-CG1 3.85Å; V288-I309 HydrophobicContact CB-CD1 4.28Å; V288-I309 HydrophobicContact CB-CG1 4.4Å; V288-I309 HydrophobicContact CB-CG2 4.12Å; V288-I309 HydrophobicContact CG1-CD1 3.54Å; V288-I309 HydrophobicContact CG1-CG1 3.96Å; V288-I309 HydrophobicContact CG2-CG2 4.3Å; L290-I309 HydrophobicContact CB-CD1 4.43Å; L290-I309 HydrophobicContact CD1-CD1 4.46Å; L305-I309 WeakPolarHBondContact O-CG1 3.29Å; L305-I309 PolarHBondContact O-N 3Å; L306-I309 PolarHBondContact O-N 3.46Å; L306-I309 VanDerWaalsContact O-N 3.16Å; I309-S312 PolarHBondContact O-N 2.88Å; I309-G313 PolarHBondContact O-N 2.95Å; I309-R314 HydrophobicContact CG2-CB 4.38Å; I309-R314 PolarHBondContact O-N 3.24Å; I309-L316 HydrophobicContact CD1-CD1 3.96Å; I309-L316 HydrophobicContact CG2-CB 4.24Å; I309-L316 HydrophobicContact CG2-CD1 4.11Å
310L83Confident83.7Confident13 Ų1321.6 Ų21.67%0.06811%0.114CC..Hα-helixtrans-63.3-42.1177.6-66.2178.1000111.9F33 L306 F308 G313 L316 F344 I345 F347F33-L310 HydrophobicContact CD2-CD1 4.23Å; F33-L310 HydrophobicContact CE2-CB 4.48Å; F33-L310 HydrophobicContact CE2-CD1 3.73Å; F33-L310 HydrophobicContact CZ-CD1 4.36Å; L306-L310 HydrophobicContact CD2-CD1 4.31Å; L306-L310 HydrophobicContact CG-CD1 4.24Å; L306-L310 VanDerWaalsContact O-CG 3.28Å; L306-L310 WeakPolarHBondContact O-CG 3.42Å; L306-L310 PolarHBondContact O-N 3.45Å; F308-L310 VanDerWaalsContact C-N 3.31Å; F308-L310 PolarHBondContact O-N 2.82Å; L310-G313 PolarHBondContact O-N 3.44Å; L310-L316 HydrophobicContact CD2-CD2 4.47Å; L310-F344 HydrophobicContact CD1-CE2 4.03Å; L310-I345 HydrophobicContact CD1-CD1 4.5Å; L310-F347 HydrophobicContact CD2-CE1 4.39Å; L310-F347 HydrophobicContact CD2-CE2 4.27Å; L310-F347 HydrophobicContact CD2-CZ 3.48Å; L310-F347 VanDerWaalsContact CD2-CZ 3.48Å
311N78.1Confident84.4Confident74 Ų7416 Ų1640%0.3969%0.085SC..Hα-helixtrans-69.2-35.9177.6-73.3-22000112.3G307 F308 G313 R454G307-N311 WeakPolarHBondContact O-CB 3.43Å; G307-N311 PolarHBondContact O-N 3.37Å; G307-N311 PolarHBondContact O-ND2 2.93Å; G307-N311 VanDerWaalsContact O-ND2 3.16Å; F308-N311 CarbonylContact O-C 3.59Å; F308-N311 PolarHBondContact O-N 3.17Å; F308-N311 VanDerWaalsContact O-N 3.14Å; N311-G313 PolarHBondContact O-N 2.94Å; N311-R454 PolarHBondContact O-NH2 3.42Å
312S78.7Confident85.1Confident0 Ų014.2 Ų14.20%08%0.076CC..Hα-helixtrans-69.6-21.7172.3-590000111.8R44 F308 I309 R454R44-S312 PolarHBondContact NH1-O 3.48Å; F308-S312 WeakPolarHBondContact CE1-OG 3.34Å; F308-S312 PolarHBondContact O-N 3.07Å; F308-S312 PolarHBondContact O-OG 2.91Å; F308-S312 VanDerWaalsContact O-OG 3.1Å; I309-S312 PolarHBondContact O-N 2.88Å; S312-R454 PolarHBondContact O-NH2 3.17Å
313G81.3Confident85.3Confident0 Ų016 Ų160%08%0.082CC..THydrogen-bonded Turntrans76.328.5175.600000112.4I309 L310 N311 P417I309-G313 PolarHBondContact O-N 2.95Å; L310-G313 PolarHBondContact O-N 3.44Å; N311-G313 PolarHBondContact O-N 2.94Å; G313-P417 WeakPolarHBondContact O-CB 3.2Å; G313-P417 VanDerWaalsContact O-CD 3.29Å; G313-P417 WeakPolarHBondContact O-CD 3.46Å; G313-P417 WeakPolarHBondContact O-CG 3.4Å
314R86.1Confident85.6Confident37 Ų3716.7 Ų16.714%0.149%0.086CC..  trans-86154.8176.4-57-47.5-170.9-168.8-4.7110.5I282 E283 A285 V288 I309 N416 P452I282-R314 VanDerWaalsContact O-CG 3.31Å; I282-R314 WeakPolarHBondContact O-CG 3.28Å; E283-R314 PolarHBondContact O-NE 3.1Å; E283-R314 VanDerWaalsContact O-NE 3.1Å; E283-R314 PolarHBondContact O-NH2 2.81Å; A285-R314 WeakPolarHBondContact O-CD 3.37Å; A285-R314 WeakPolarHBondContact O-CG 3.45Å; A285-R314 PolarHBondContact O-NE 2.76Å; A285-R314 VanDerWaalsContact O-NE 3.12Å; V288-R314 HydrophobicContact CG2-CB 3.99Å; V288-R314 HydrophobicContact CG2-CG 4.5Å; I309-R314 HydrophobicContact CG2-CB 4.38Å; I309-R314 PolarHBondContact O-N 3.24Å; R314-N416 PolarHBondContact NH1-O 2.97Å; R314-P452 WeakPolarHBondContact O-CD 3.44Å
315S90.4Very high85.8Confident0 Ų018 Ų180%011%0.108CC..EExtended strand (participates in β ladder)trans-66.7136.6173.8-72.90000109.9N286 V287 V288 A371 S375 G450 S451N286-S315 PolarHBondContact O-N 2.92Å; N286-S315 VanDerWaalsContact O-N 3.14Å; V287-S315 CarbonylContact C-O 3.59Å; V287-S315 WeakPolarHBondContact CA-O 3.3Å; V288-S315 PolarHBondContact N-O 2.66Å; S315-A371 PolarHBondContact OG-O 2.94Å; S315-S375 WeakPolarHBondContact OG-CB 3.2Å; S315-G450 CarbonylContact C-O 3.56Å; S315-G450 VanDerWaalsContact CA-O 3.31Å; S315-G450 WeakPolarHBondContact CA-O 3.39Å; S315-S451 WeakPolarHBondContact OG-CB 3.43Å; S315-S451 PolarHBondContact OG-OG 2.79Å
316L91.4Very high85.9Confident0 Ų018.8 Ų18.80%011%0.112CC..EExtended strand (participates in β ladder)trans-118.7128.8-172.7174.969.4000110.6V288 L290 L306 I309 L310 I318 I345 A348 G450V288-L316 WeakPolarHBondContact O-CA 3.33Å; L290-L316 HydrophobicContact CB-CD1 3.78Å; L306-L316 HydrophobicContact CD1-CD1 4.47Å; L306-L316 HydrophobicContact CD1-CD2 3.52Å; I309-L316 HydrophobicContact CD1-CD1 3.96Å; I309-L316 HydrophobicContact CG2-CB 4.24Å; I309-L316 HydrophobicContact CG2-CD1 4.11Å; L310-L316 HydrophobicContact CD2-CD2 4.47Å; L316-I318 HydrophobicContact CD1-CG1 4.44Å; L316-I318 HydrophobicContact CD2-CD1 4.32Å; L316-I318 HydrophobicContact CD2-CG1 4.19Å; L316-I318 HydrophobicContact CG-CG1 4.17Å; L316-I345 HydrophobicContact CD2-CG2 4.07Å; L316-A348 HydrophobicContact CD2-CB 4.02Å; L316-A348 HydrophobicContact CG-CB 4.21Å; L316-G450 PolarHBondContact N-O 3.01Å
317V91.4Very high86Confident1 Ų121.6 Ų21.61%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-121126.5167.9-1790000108.3V287 V288 M289 L290 V319 V368 A371V287-V317 HydrophobicContact CG1-CG2 4.09Å; V288-V317 PolarHBondContact O-N 3.49Å; M289-V317 CarbonylContact C-O 3.4Å; M289-V317 WeakPolarHBondContact CA-O 3.28Å; M289-V317 HydrophobicContact CG-CB 4.27Å; L290-V317 PolarHBondContact N-O 2.73Å; V317-V319 HydrophobicContact CG1-CG2 4.28Å; V317-V368 HydrophobicContact CG2-CG2 4.3Å; V317-A371 HydrophobicContact CG2-CB 4.35Å
318I90.9Very high86.4Confident2 Ų228.3 Ų28.31%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-96.3127.5-178.7-60.3178.2000108.7I292 L316 V320 L342 A348 R349 V350 H351I292-I318 HydrophobicContact CD1-CG2 3.8Å; L316-I318 HydrophobicContact CD1-CG1 4.44Å; L316-I318 HydrophobicContact CD2-CD1 4.32Å; L316-I318 HydrophobicContact CD2-CG1 4.19Å; L316-I318 HydrophobicContact CG-CG1 4.17Å; I318-V320 HydrophobicContact CG2-CG2 4.5Å; I318-L342 HydrophobicContact CD1-CD1 3.79Å; I318-L342 HydrophobicContact CD1-CD2 4.22Å; I318-L342 HydrophobicContact CG2-CD1 4.47Å; I318-A348 HydrophobicContact CD1-CB 3.95Å; I318-A348 HydrophobicContact CG1-CB 4.1Å; I318-R349 PolarHBondContact N-O 3.03Å; I318-V350 HydrophobicContact CB-CG2 4.22Å; I318-V350 HydrophobicContact CD1-CG2 4.5Å; I318-V350 HydrophobicContact CG2-CG1 4.38Å; I318-V350 HydrophobicContact CG2-CG2 4.44Å; I318-V350 WeakPolarHBondContact O-CA 3.08Å; I318-H351 PolarHBondContact O-N 2.79Å
319V91.9Very high86.7Confident0 Ų034.7 Ų34.70%019%0.192CC..EExtended strand (participates in β ladder)trans-122.7108-174.9-177.50000109.2L218 M289 L290 V291 I292 V317 N321 I353 L364L218-V319 HydrophobicContact CD2-CG1 4.2Å; M289-V319 HydrophobicContact CB-CG2 4.37Å; M289-V319 HydrophobicContact CE-CG2 4.37Å; M289-V319 HydrophobicContact CG-CG2 4.37Å; L290-V319 PolarHBondContact O-N 2.78Å; V291-V319 CarbonylContact C-O 3.6Å; V291-V319 VanDerWaalsContact CA-O 3.31Å; V291-V319 WeakPolarHBondContact CA-O 3.31Å; V291-V319 HydrophobicContact CG2-CB 4.39Å; I292-V319 PolarHBondContact N-O 2.81Å; V317-V319 HydrophobicContact CG1-CG2 4.28Å; V319-N321 PolarHBondContact O-N 3.31Å; V319-I353 HydrophobicContact CG1-CD1 3.19Å; V319-I353 HydrophobicContact CG1-CG1 3.5Å; V319-I353 HydrophobicContact CG1-CG2 4.36Å; V319-L364 HydrophobicContact CG1-CD2 4.24Å; V319-L364 HydrophobicContact CG2-CD2 3.72Å
320V92Very high86.7Confident1 Ų137 Ų371%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-90.1101.5177.6-179.80000108.2A294 I318 W323 L338 V350 H351 F352 I353A294-V320 HydrophobicContact CB-CG1 3.64Å; I318-V320 HydrophobicContact CG2-CG2 4.5Å; V320-W323 HydrophobicContact CG1-CE3 4.03Å; V320-W323 HydrophobicContact CG1-CZ3 4.22Å; V320-L338 HydrophobicContact CG2-CD1 3.75Å; V320-L338 HydrophobicContact CG2-CD2 4.31Å; V320-V350 HydrophobicContact CG2-CG1 3.88Å; V320-H351 PolarHBondContact N-O 3.05Å; V320-F352 HydrophobicContact CB-CD1 3.82Å; V320-F352 HydrophobicContact CB-CE1 4.22Å; V320-F352 HydrophobicContact CG1-CD1 3.89Å; V320-F352 HydrophobicContact CG1-CE1 4.25Å; V320-F352 HydrophobicContact CG2-CD1 4.27Å; V320-F352 HydrophobicContact CG2-CE1 4.18Å; V320-I353 PolarHBondContact O-N 2.83Å
321N91.9Very high86.9Confident4 Ų438.4 Ų38.42%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-91.3168.1-176.7-169.529000112.3V213 V291 I292 A294 V319 W323 I353 A355V213-N321 PolarHBondContact O-ND2 3.35Å; V291-N321 HydrophobicContact CG1-CB 3.82Å; I292-N321 PolarHBondContact O-N 2.78Å; A294-N321 WeakPolarHBondContact CB-O 3.42Å; A294-N321 PolarHBondContact N-O 2.79Å; V319-N321 PolarHBondContact O-N 3.31Å; N321-W323 VanDerWaalsContact C-N 3.28Å; N321-W323 PolarHBondContact O-N 3.45Å; N321-I353 CarbonylContact C-O 3.58Å; N321-I353 WeakPolarHBondContact CA-O 3.46Å; N321-I353 HydrophobicContact CB-CG1 4.24Å; N321-A355 WeakPolarHBondContact OD1-CB 3.49Å; N321-A355 PolarHBondContact OD1-N 3.03Å
322K89.8Confident87.3Confident52 Ų5240.8 Ų40.823%0.22622%0.22CC..  trans60.734.4-177.5-49.4-170.9-165.5164.20113.3N212 D293 R295 D324 I353N212-K322 WeakPolarHBondContact O-CE 3.26Å; N212-K322 PolarHBondContact O-NZ 2.96Å; D293-K322 WeakPolarHBondContact OD2-CD 3.13Å; D293-K322 WeakPolarHBondContact OD2-CE 3.27Å; D293-K322 IonicContact OD2-NZ 3.99Å; D293-K322 PolarHBondContact OD2-NZ 3.15Å; R295-K322 HydrophobicContact CG-CB 4.42Å; K322-D324 WeakPolarHBondContact CA-OD1 3.47Å; K322-D324 PolarHBondContact O-N 3.13Å; K322-I353 PolarHBondContact N-O 2.68Å
323W87.5Confident87.7Confident41 Ų4146.4 Ų46.416%0.15525%0.246CC..  trans-69-12.7177-163.6-111.6000113.6A294 V320 N321 L326 K331 V334 K335 F352 I353A294-W323 HydrophobicContact CB-CE3 3.78Å; A294-W323 HydrophobicContact CB-CZ3 4.28Å; V320-W323 HydrophobicContact CG1-CE3 4.03Å; V320-W323 HydrophobicContact CG1-CZ3 4.22Å; N321-W323 VanDerWaalsContact C-N 3.28Å; N321-W323 PolarHBondContact O-N 3.45Å; W323-L326 HydrophobicContact CD2-CD1 4.46Å; W323-L326 HydrophobicContact CE3-CD1 3.94Å; W323-L326 HydrophobicContact CZ3-CD1 4.3Å; W323-K331 HydrophobicContact CD2-CG 4.43Å; W323-K331 HydrophobicContact CH2-CB 3.65Å; W323-K331 HydrophobicContact CH2-CD 4.45Å; W323-K331 HydrophobicContact CH2-CG 3.69Å; W323-K331 HydrophobicContact CZ2-CB 3.55Å; W323-K331 HydrophobicContact CZ2-CD 3.64Å; W323-K331 HydrophobicContact CZ2-CG 3.37Å; W323-K331 HydrophobicContact CZ3-CG 4.34Å; W323-V334 HydrophobicContact CZ3-CB 4.28Å; W323-V334 HydrophobicContact CZ3-CG1 3.95Å; W323-K335 HydrophobicContact CH2-CG 4.36Å; W323-F352 HydrophobicContact CD2-CB 4Å; W323-F352 AromaticContact CD2-CD1 3.9Å; W323-F352 HydrophobicContact CD2-CD1 3.9Å; W323-F352 HydrophobicContact CD2-CG 4.3Å; W323-F352 AromaticContact CE2-CD1 4Å; W323-F352 HydrophobicContact CE3-CB 4.49Å; W323-F352 AromaticContact CE3-CD1 3.62Å; W323-F352 HydrophobicContact CE3-CD1 3.62Å; W323-F352 HydrophobicContact CE3-CE1 4.37Å; W323-F352 HydrophobicContact CE3-CG 4.45Å; W323-F352 HydrophobicContact CG-CB 4.06Å; W323-F352 AromaticContact CH2-CD1 3.61Å; W323-F352 HydrophobicContact CH2-CD1 3.61Å; W323-F352 AromaticContact CH2-CE1 3.72Å; W323-F352 HydrophobicContact CH2-CE1 3.72Å; W323-F352 HydrophobicContact CH2-CG 4.46Å; W323-F352 AromaticContact CZ2-CD1 3.86Å; W323-F352 HydrophobicContact CZ2-CD1 3.86Å; W323-F352 HydrophobicContact CZ2-CE1 4.27Å; W323-F352 HydrophobicContact CZ2-CG 4.28Å; W323-F352 AromaticContact CZ3-CD1 3.48Å; W323-F352 HydrophobicContact CZ3-CD1 3.48Å; W323-F352 VanDerWaalsContact CZ3-CD1 3.48Å; W323-F352 AromaticContact CZ3-CE1 3.78Å; W323-F352 HydrophobicContact CZ3-CE1 3.78Å; W323-I353 VanDerWaalsContact CB-O 3.29Å; W323-I353 WeakPolarHBondContact CB-O 3.33Å; W323-I353 PolarHBondContact N-O 3.15Å; W323-I353 VanDerWaalsContact N-O 3.17Å
324D87.1Confident87.8Confident34 Ų3447.2 Ų47.218%0.18225%0.252CS..THydrogen-bonded Turntrans-66.1142.9173.155.1-79.5000112.7R295 K322 L326 S354 H357R295-D324 IonicContact NH2-OD2 3.33Å; R295-D324 PolarHBondContact NH2-OD2 2.9Å; K322-D324 WeakPolarHBondContact CA-OD1 3.47Å; K322-D324 PolarHBondContact O-N 3.13Å; D324-L326 PolarHBondContact O-N 3.13Å; D324-S354 VanDerWaalsContact OD1-CB 3.32Å; D324-S354 WeakPolarHBondContact OD1-CB 3.26Å; D324-S354 PolarHBondContact OD1-OG 2.74Å; D324-H357 IonicContact OD2-NE2 3.78Å
325G80.7Confident87.7Confident83 Ų8350.1 Ų50.186%0.85627%0.265SS*.THydrogen-bonded Turntrans75.30.417500000116.1
326L84.4Confident87.4Confident31 Ų3156 Ų5616%0.16229%0.292CS..  trans-81.3136177.6-61.5179.3000112.2A294 R295 W323 D324 V330 K331A294-L326 HydrophobicContact CB-CD1 3.72Å; R295-L326 HydrophobicContact CG-CD2 4.21Å; W323-L326 HydrophobicContact CD2-CD1 4.46Å; W323-L326 HydrophobicContact CE3-CD1 3.94Å; W323-L326 HydrophobicContact CZ3-CD1 4.3Å; D324-L326 PolarHBondContact O-N 3.13Å; L326-V330 HydrophobicContact CD2-CG1 4.01Å; L326-K331 HydrophobicContact CB-CD 4.46Å; L326-K331 HydrophobicContact CB-CG 3.84Å; L326-K331 VanDerWaalsContact O-CE 3.25Å; L326-K331 WeakPolarHBondContact O-CE 3.38Å
327S87Confident87.1Confident60 Ų6058.8 Ų58.842%0.4231%0.31SS..  trans-67.7158.8170.566.90000111E329 V330 K331S327-E329 VanDerWaalsContact C-N 3.3Å; S327-E329 PolarHBondContact O-N 3.22Å; S327-V330 PolarHBondContact O-N 3.1Å; S327-V330 WeakPolarHBondContact OG-CG2 3.35Å; S327-K331 WeakPolarHBondContact O-CG 3.47Å; S327-K331 PolarHBondContact O-N 3.01Å
328Q87.4Confident86.6Confident147 Ų14759.1 Ų59.169%0.68731%0.311SS*.Hα-helixtrans-61.6-37.9-179.3-69.7-66.42.100112.6V330 K331 E332Q328-V330 PolarHBondContact O-N 3.48Å; Q328-K331 WeakPolarHBondContact O-CB 3.44Å; Q328-K331 PolarHBondContact O-N 3.18Å; Q328-E332 PolarHBondContact O-N 2.99Å
329E86.2Confident86.1Confident148 Ų14864.6 Ų64.669%0.69234%0.341SS*.Hα-helixtrans-59.5-45.5176.5-64.3174.1-177.900111.8S327 K331 E332 Q333S327-E329 VanDerWaalsContact C-N 3.3Å; S327-E329 PolarHBondContact O-N 3.22Å; E329-K331 VanDerWaalsContact C-N 3.34Å; E329-K331 PolarHBondContact O-N 3.33Å; E329-E332 PolarHBondContact O-N 2.83Å; E329-Q333 WeakPolarHBondContact O-CG 3.5Å; E329-Q333 PolarHBondContact O-N 2.95Å
330V84.3Confident85.5Confident49 Ų4973.5 Ų73.530%0.29738%0.38SS..Hα-helixtrans-67.6-38178176.40000110.8L326 S327 Q328 E332 Q333 V334L326-V330 HydrophobicContact CD2-CG1 4.01Å; S327-V330 PolarHBondContact O-N 3.1Å; S327-V330 WeakPolarHBondContact OG-CG2 3.35Å; Q328-V330 PolarHBondContact O-N 3.48Å; V330-E332 VanDerWaalsContact C-N 3.32Å; V330-E332 PolarHBondContact O-N 2.81Å; V330-Q333 PolarHBondContact O-N 3.05Å; V330-V334 HydrophobicContact CG1-CG2 4.27Å; V330-V334 VanDerWaalsContact O-CG2 3.25Å; V330-V334 WeakPolarHBondContact O-CG2 3.34Å; V330-V334 PolarHBondContact O-N 3.39Å
331K86.1Confident84.7Confident42 Ų4278.1 Ų78.118%0.18340%0.397CS..Hα-helixtrans-61.8-39.9176.4-72.5177.8175.7171.50112.3W323 L326 S327 Q328 E329 K335W323-K331 HydrophobicContact CD2-CG 4.43Å; W323-K331 HydrophobicContact CH2-CB 3.65Å; W323-K331 HydrophobicContact CH2-CD 4.45Å; W323-K331 HydrophobicContact CH2-CG 3.69Å; W323-K331 HydrophobicContact CZ2-CB 3.55Å; W323-K331 HydrophobicContact CZ2-CD 3.64Å; W323-K331 HydrophobicContact CZ2-CG 3.37Å; W323-K331 HydrophobicContact CZ3-CG 4.34Å; L326-K331 HydrophobicContact CB-CD 4.46Å; L326-K331 HydrophobicContact CB-CG 3.84Å; L326-K331 VanDerWaalsContact O-CE 3.25Å; L326-K331 WeakPolarHBondContact O-CE 3.38Å; S327-K331 WeakPolarHBondContact O-CG 3.47Å; S327-K331 PolarHBondContact O-N 3.01Å; Q328-K331 WeakPolarHBondContact O-CB 3.44Å; Q328-K331 PolarHBondContact O-N 3.18Å; E329-K331 VanDerWaalsContact C-N 3.34Å; E329-K331 PolarHBondContact O-N 3.33Å; K331-K335 WeakPolarHBondContact O-CG 3.41Å; K331-K335 PolarHBondContact O-N 3.2Å; K331-K335 VanDerWaalsContact O-N 3.09Å
332E86.7Confident83.9Confident125 Ų12578.6 Ų78.658%0.58440%0.4SS*.Hα-helixtrans-67.6-46.1176.9-168.4159.3-148.200111Q328 E329 V330 V334 K335 E336Q328-E332 PolarHBondContact O-N 2.99Å; E329-E332 PolarHBondContact O-N 2.83Å; V330-E332 VanDerWaalsContact C-N 3.32Å; V330-E332 PolarHBondContact O-N 2.81Å; E332-V334 VanDerWaalsContact C-N 3.33Å; E332-V334 PolarHBondContact O-N 2.65Å; E332-K335 WeakPolarHBondContact O-CB 3.33Å; E332-K335 PolarHBondContact O-N 2.84Å; E332-K335 VanDerWaalsContact O-N 3.14Å; E332-E336 WeakPolarHBondContact O-CG 3.07Å; E332-E336 PolarHBondContact O-N 3.11Å
333Q86.4Confident82.8Confident117 Ų11778.4 Ų78.455%0.54741%0.412SS..Hα-helixtrans-58-42.2174.7-71.91741.100113.1E329 V330 E336 T337E329-Q333 WeakPolarHBondContact O-CG 3.5Å; E329-Q333 PolarHBondContact O-N 2.95Å; V330-Q333 PolarHBondContact O-N 3.05Å; Q333-E336 PolarHBondContact O-N 2.86Å; Q333-T337 WeakPolarHBondContact O-CB 3.37Å; Q333-T337 PolarHBondContact O-N 2.91Å; Q333-T337 PolarHBondContact O-OG1 3.12Å
334V83.9Confident82.1Confident18 Ų1879 Ų7911%0.10942%0.416CS..Hα-helixtrans-65.3-42.4177.5171.70000110.5A294 W323 V330 E332 T337 L338A294-V334 WeakPolarHBondContact O-CG2 3.29Å; W323-V334 HydrophobicContact CZ3-CB 4.28Å; W323-V334 HydrophobicContact CZ3-CG1 3.95Å; V330-V334 HydrophobicContact CG1-CG2 4.27Å; V330-V334 VanDerWaalsContact O-CG2 3.25Å; V330-V334 WeakPolarHBondContact O-CG2 3.34Å; V330-V334 PolarHBondContact O-N 3.39Å; E332-V334 VanDerWaalsContact C-N 3.33Å; E332-V334 PolarHBondContact O-N 2.65Å; V334-T337 PolarHBondContact O-N 3.24Å; V334-L338 HydrophobicContact CG1-CD1 3.76Å; V334-L338 HydrophobicContact CG1-CG 4.27Å; V334-L338 WeakPolarHBondContact O-CB 3.33Å; V334-L338 WeakPolarHBondContact O-CD1 3.41Å; V334-L338 WeakPolarHBondContact O-CG 3.4Å; V334-L338 PolarHBondContact O-N 3.3Å
335K84.8Confident81.4Confident97 Ų9777.8 Ų77.842%0.42241%0.409SS..Hα-helixtrans-61.9-48.1175.4-75.8177.1177.4-174.60112.1W323 K331 E332 T337 L338 D339 F352W323-K335 HydrophobicContact CH2-CG 4.36Å; K331-K335 WeakPolarHBondContact O-CG 3.41Å; K331-K335 PolarHBondContact O-N 3.2Å; K331-K335 VanDerWaalsContact O-N 3.09Å; E332-K335 WeakPolarHBondContact O-CB 3.33Å; E332-K335 PolarHBondContact O-N 2.84Å; E332-K335 VanDerWaalsContact O-N 3.14Å; K335-T337 VanDerWaalsContact C-N 3.3Å; K335-T337 PolarHBondContact O-N 2.95Å; K335-L338 WeakPolarHBondContact O-CB 3.38Å; K335-L338 PolarHBondContact O-N 2.59Å; K335-D339 WeakPolarHBondContact O-CB 3.36Å; K335-D339 VanDerWaalsContact O-CG 3.32Å; K335-D339 PolarHBondContact O-N 3.24Å; K335-F352 HydrophobicContact CD-CZ 4.45Å; K335-F352 HydrophobicContact CG-CE1 4.14Å; K335-F352 HydrophobicContact CG-CZ 3.83Å
336E84.7Confident81Confident123 Ų12378.4 Ų78.458%0.57539%0.393SS*.Hα-helixtrans-59.9-41.3177-71.3-178.4167.400111.9E332 Q333 D339 F340E332-E336 WeakPolarHBondContact O-CG 3.07Å; E332-E336 PolarHBondContact O-N 3.11Å; Q333-E336 PolarHBondContact O-N 2.86Å; E336-D339 PolarHBondContact O-N 3.46Å; E336-F340 WeakPolarHBondContact O-CB 3.21Å; E336-F340 PolarHBondContact O-N 3.18Å
337T83.4Confident80.7Confident59 Ų5977.5 Ų77.536%0.36239%0.388SS..Hα-helixtrans-66.6-41.4177.7-57.10000111.6Q333 V334 K335 R341Q333-T337 WeakPolarHBondContact O-CB 3.37Å; Q333-T337 PolarHBondContact O-N 2.91Å; Q333-T337 PolarHBondContact O-OG1 3.12Å; V334-T337 PolarHBondContact O-N 3.24Å; K335-T337 VanDerWaalsContact C-N 3.3Å; K335-T337 PolarHBondContact O-N 2.95Å; T337-R341 WeakPolarHBondContact O-CB 3.49Å; T337-R341 WeakPolarHBondContact O-CG 3.33Å; T337-R341 PolarHBondContact O-N 3.42Å
338L81.5Confident80.5Confident8 Ų875.2 Ų75.24%0.04237%0.372CS..Hα-helixtrans-62.1-48.3174.7-73.7165.3000110.3I298 V320 V334 K335 F340 R341 L342 F352I298-L338 HydrophobicContact CD1-CD2 3.63Å; I298-L338 HydrophobicContact CG1-CD2 3.86Å; V320-L338 HydrophobicContact CG2-CD1 3.75Å; V320-L338 HydrophobicContact CG2-CD2 4.31Å; V334-L338 HydrophobicContact CG1-CD1 3.76Å; V334-L338 HydrophobicContact CG1-CG 4.27Å; V334-L338 WeakPolarHBondContact O-CB 3.33Å; V334-L338 WeakPolarHBondContact O-CD1 3.41Å; V334-L338 WeakPolarHBondContact O-CG 3.4Å; V334-L338 PolarHBondContact O-N 3.3Å; K335-L338 WeakPolarHBondContact O-CB 3.38Å; K335-L338 PolarHBondContact O-N 2.59Å; L338-F340 VanDerWaalsContact C-N 3.35Å; L338-F340 PolarHBondContact O-N 3.13Å; L338-R341 PolarHBondContact O-N 2.96Å; L338-L342 HydrophobicContact CB-CD1 4.26Å; L338-L342 HydrophobicContact CD2-CD1 3.64Å; L338-L342 WeakPolarHBondContact O-CA 3.48Å; L338-L342 WeakPolarHBondContact O-CB 3.37Å; L338-L342 WeakPolarHBondContact O-CG 3.43Å; L338-L342 PolarHBondContact O-N 3.46Å; L338-F352 HydrophobicContact CD1-CE1 3.96Å; L338-F352 HydrophobicContact CD1-CZ 4.42Å
339D81.2Confident80.4Confident118 Ų11873 Ų7363%0.63136%0.358SS*.Hα-helixtrans-63.2-40.1-180-70.5-20.6000111.8K335 E336 G343K335-D339 WeakPolarHBondContact O-CB 3.36Å; K335-D339 VanDerWaalsContact O-CG 3.32Å; K335-D339 PolarHBondContact O-N 3.24Å; E336-D339 PolarHBondContact O-N 3.46Å; D339-G343 WeakPolarHBondContact O-CA 3.45Å; D339-G343 PolarHBondContact O-N 3.39Å
340F77.9Confident80.5Confident186 Ų18668.7 Ų68.782%0.81634%0.341SS*.Hα-helixtrans-67.9-43.4177.7-175.9-99.1000112.4E336 L338E336-F340 WeakPolarHBondContact O-CB 3.21Å; E336-F340 PolarHBondContact O-N 3.18Å; L338-F340 VanDerWaalsContact C-N 3.35Å; L338-F340 PolarHBondContact O-N 3.13Å
341R75Confident80.8Confident98 Ų9867.8 Ų67.837%0.3733%0.334SS..Hα-helixtrans-83.6-29-176.7-69.4-170.6-179.3-159.57.8113.5I298 T337 L338 F344I298-R341 HydrophobicContact CD1-CB 3.68Å; I298-R341 HydrophobicContact CD1-CG 4.46Å; I298-R341 PolarHBondContact O-NH1 3.25Å; T337-R341 WeakPolarHBondContact O-CB 3.49Å; T337-R341 WeakPolarHBondContact O-CG 3.33Å; T337-R341 PolarHBondContact O-N 3.42Å; L338-R341 PolarHBondContact O-N 2.96Å; R341-F344 WeakPolarHBondContact O-CD1 3.23Å; R341-F344 WeakPolarHBondContact O-CE1 3.19Å
342L75.1Confident81Confident15 Ų1569.1 Ų69.18%0.07934%0.34CS..Hα-helixtrans-1065-179.1-56.6169.2000112.5I298 L306 I318 L338 F344 I345I298-L342 HydrophobicContact CD1-CD1 4.01Å; I298-L342 HydrophobicContact CD1-CD2 4.17Å; I298-L342 HydrophobicContact CD1-CG 3.79Å; L306-L342 HydrophobicContact CD2-CD2 4.36Å; I318-L342 HydrophobicContact CD1-CD1 3.79Å; I318-L342 HydrophobicContact CD1-CD2 4.22Å; I318-L342 HydrophobicContact CG2-CD1 4.47Å; L338-L342 HydrophobicContact CB-CD1 4.26Å; L338-L342 HydrophobicContact CD2-CD1 3.64Å; L338-L342 WeakPolarHBondContact O-CA 3.48Å; L338-L342 WeakPolarHBondContact O-CB 3.37Å; L338-L342 WeakPolarHBondContact O-CG 3.43Å; L338-L342 PolarHBondContact O-N 3.46Å; L342-F344 PolarHBondContact O-N 2.84Å; L342-I345 HydrophobicContact CB-CD1 4.49Å; L342-I345 HydrophobicContact CD2-CD1 3.72Å; L342-I345 WeakPolarHBondContact O-CA 3.35Å; L342-I345 PolarHBondContact O-N 3.43Å
343G68.1Low81.2Confident47 Ų4763.3 Ų63.349%0.48531%0.312SS..THydrogen-bonded Turntrans-631.7179.400000115.1D339 D346D339-G343 WeakPolarHBondContact O-CA 3.45Å; D339-G343 PolarHBondContact O-N 3.39Å; G343-D346 VanDerWaalsContact O-OD1 3.05Å
344F71.4Confident81.4Confident55 Ų5557.9 Ų57.924%0.24129%0.288CS..THydrogen-bonded Turntrans-94.4-7167.464.9-94.2000113.3F33 L306 L310 R341 L342F33-F344 HydrophobicContact CB-CD2 4.37Å; F33-F344 HydrophobicContact CB-CE2 4.35Å; F33-F344 HydrophobicContact CD1-CB 4.25Å; F33-F344 AromaticContact CD1-CD2 3.58Å; F33-F344 HydrophobicContact CD1-CD2 3.58Å; F33-F344 HydrophobicContact CD1-CE2 4.22Å; F33-F344 HydrophobicContact CD1-CG 4.16Å; F33-F344 HydrophobicContact CD2-CD2 4.48Å; F33-F344 HydrophobicContact CD2-CE2 4.38Å; F33-F344 AromaticContact CE1-CD2 3.86Å; F33-F344 HydrophobicContact CE1-CD2 3.86Å; F33-F344 AromaticContact CG-CD2 3.93Å; F33-F344 HydrophobicContact CG-CD2 3.93Å; F33-F344 HydrophobicContact CG-CE2 4.1Å; F33-F344 HydrophobicContact CZ-CD2 4.41Å; L306-F344 HydrophobicContact CD2-CE2 3.91Å; L306-F344 HydrophobicContact CD2-CZ 3.57Å; L310-F344 HydrophobicContact CD1-CE2 4.03Å; R341-F344 WeakPolarHBondContact O-CD1 3.23Å; R341-F344 WeakPolarHBondContact O-CE1 3.19Å; L342-F344 PolarHBondContact O-N 2.84Å
345I74Confident81.5Confident7 Ų757.1 Ų57.14%0.03628%0.283CS..  trans-117.848.7-173.6-36.9176.8000110.6L306 L310 L316 L342 F347 A348L306-I345 HydrophobicContact CD1-CD1 3.5Å; L306-I345 VanDerWaalsContact CD1-CD1 3.5Å; L306-I345 HydrophobicContact CD2-CD1 3.24Å; L306-I345 HydrophobicContact CD2-CG1 4.48Å; L306-I345 HydrophobicContact CG-CD1 3.77Å; L310-I345 HydrophobicContact CD1-CD1 4.5Å; L316-I345 HydrophobicContact CD2-CG2 4.07Å; L342-I345 HydrophobicContact CB-CD1 4.49Å; L342-I345 HydrophobicContact CD2-CD1 3.72Å; L342-I345 WeakPolarHBondContact O-CA 3.35Å; L342-I345 PolarHBondContact O-N 3.43Å; I345-F347 HydrophobicContact CG2-CD1 4.1Å; I345-F347 HydrophobicContact CG2-CD2 4.47Å; I345-F347 HydrophobicContact CG2-CE1 3.67Å; I345-F347 HydrophobicContact CG2-CE2 4.07Å; I345-F347 HydrophobicContact CG2-CZ 3.68Å; I345-F347 PolarHBondContact O-N 3.13Å; I345-A348 HydrophobicContact CG2-CB 3.62Å; I345-A348 PolarHBondContact O-N 2.83Å; I345-A348 VanDerWaalsContact O-N 3.11Å
346D71.2Confident81.5Confident97 Ų9758.3 Ų58.352%0.51929%0.293SS..THydrogen-bonded Turntrans-61.6-12.7-177.9-34.2-41.2000114G343 R443G343-D346 VanDerWaalsContact O-OD1 3.05Å; D346-R443 IonicContact OD2-CZ 3.96Å; D346-R443 IonicContact OD2-NH1 2.67Å; D346-R443 IonicContact OD2-NH2 2.59Å; D346-R443 PolarHBondContact OD2-NH2 3.05Å
347F78.6Confident81.5Confident12 Ų1258.1 Ų58.15%0.05329%0.292CS..THydrogen-bonded Turntrans-86-20.2-179.463.4-91.9000113.2L310 I345 G450 P452L310-F347 HydrophobicContact CD2-CE1 4.39Å; L310-F347 HydrophobicContact CD2-CE2 4.27Å; L310-F347 HydrophobicContact CD2-CZ 3.48Å; L310-F347 VanDerWaalsContact CD2-CZ 3.48Å; I345-F347 HydrophobicContact CG2-CD1 4.1Å; I345-F347 HydrophobicContact CG2-CD2 4.47Å; I345-F347 HydrophobicContact CG2-CE1 3.67Å; I345-F347 HydrophobicContact CG2-CE2 4.07Å; I345-F347 HydrophobicContact CG2-CZ 3.68Å; I345-F347 PolarHBondContact O-N 3.13Å; F347-G450 WeakPolarHBondContact O-CA 3.36Å; F347-G450 PolarHBondContact O-N 2.75Å; F347-P452 HydrophobicContact CE2-CB 4.43Å; F347-P452 HydrophobicContact CZ-CB 4.1Å
348A82.2Confident81.4Confident11 Ų1156.3 Ų56.39%0.09129%0.285CS..SBendtrans-81.7131.2-178.800000110.6L316 I318 I345L316-A348 HydrophobicContact CD2-CB 4.02Å; L316-A348 HydrophobicContact CG-CB 4.21Å; I318-A348 HydrophobicContact CD1-CB 3.95Å; I318-A348 HydrophobicContact CG1-CB 4.1Å; I345-A348 HydrophobicContact CG2-CB 3.62Å; I345-A348 PolarHBondContact O-N 2.83Å; I345-A348 VanDerWaalsContact O-N 3.11Å
349R85.3Confident81.5Confident102 Ų10259.4 Ų59.439%0.38531%0.307SS..EExtended strand (participates in β ladder)trans-73.5130.6171.7-64.9-71.5-167.5-165.4-4.4109I318 E370I318-R349 PolarHBondContact N-O 3.03Å; R349-E370 IonicContact CZ-OE1 3.77Å; R349-E370 IonicContact CZ-OE2 3.05Å; R349-E370 IonicContact NE-OE1 3.67Å; R349-E370 IonicContact NE-OE2 3.28Å; R349-E370 PolarHBondContact NE-OE2 2.95Å; R349-E370 IonicContact NH2-OE1 3.01Å; R349-E370 PolarHBondContact NH2-OE1 3.44Å; R349-E370 IonicContact NH2-OE2 3.61Å
350V88.3Confident81.6Confident56 Ų5655.2 Ų55.234%0.33929%0.292SS..EExtended strand (participates in β ladder)trans-102.3121.8175-176.40000109.2I318 V320 F352I318-V350 HydrophobicContact CB-CG2 4.22Å; I318-V350 HydrophobicContact CD1-CG2 4.5Å; I318-V350 HydrophobicContact CG2-CG1 4.38Å; I318-V350 HydrophobicContact CG2-CG2 4.44Å; I318-V350 WeakPolarHBondContact O-CA 3.08Å; V320-V350 HydrophobicContact CG2-CG1 3.88Å; V350-F352 HydrophobicContact CG1-CE1 4.41Å; V350-F352 HydrophobicContact CG1-CE2 4.26Å; V350-F352 HydrophobicContact CG1-CZ 4Å
351H90.2Very high81.8Confident31 Ų3146.3 Ų46.314%0.14425%0.253CS..EExtended strand (participates in β ladder)trans-112.4132177.1-72.6-81.6000111.1I318 V320 I353 L364 S367I318-H351 PolarHBondContact O-N 2.79Å; V320-H351 PolarHBondContact N-O 3.05Å; H351-I353 HydrophobicContact CB-CG2 4.28Å; H351-L364 HydrophobicContact CB-CD2 3.55Å; H351-S367 PolarHBondContact CE1-OG 2.96Å; H351-S367 WeakPolarHBondContact NE2-CB 3.43Å; H351-S367 PolarHBondContact NE2-OG 2.94Å
352F91Very high82Confident70 Ų7043 Ų4331%0.30725%0.249SC..EExtended strand (participates in β ladder)trans-99.1115.6174.3-57.4-83.9000109.1V320 W323 K335 L338 V350V320-F352 HydrophobicContact CB-CD1 3.82Å; V320-F352 HydrophobicContact CB-CE1 4.22Å; V320-F352 HydrophobicContact CG1-CD1 3.89Å; V320-F352 HydrophobicContact CG1-CE1 4.25Å; V320-F352 HydrophobicContact CG2-CD1 4.27Å; V320-F352 HydrophobicContact CG2-CE1 4.18Å; W323-F352 HydrophobicContact CD2-CB 4Å; W323-F352 AromaticContact CD2-CD1 3.9Å; W323-F352 HydrophobicContact CD2-CD1 3.9Å; W323-F352 HydrophobicContact CD2-CG 4.3Å; W323-F352 AromaticContact CE2-CD1 4Å; W323-F352 HydrophobicContact CE3-CB 4.49Å; W323-F352 AromaticContact CE3-CD1 3.62Å; W323-F352 HydrophobicContact CE3-CD1 3.62Å; W323-F352 HydrophobicContact CE3-CE1 4.37Å; W323-F352 HydrophobicContact CE3-CG 4.45Å; W323-F352 HydrophobicContact CG-CB 4.06Å; W323-F352 AromaticContact CH2-CD1 3.61Å; W323-F352 HydrophobicContact CH2-CD1 3.61Å; W323-F352 AromaticContact CH2-CE1 3.72Å; W323-F352 HydrophobicContact CH2-CE1 3.72Å; W323-F352 HydrophobicContact CH2-CG 4.46Å; W323-F352 AromaticContact CZ2-CD1 3.86Å; W323-F352 HydrophobicContact CZ2-CD1 3.86Å; W323-F352 HydrophobicContact CZ2-CE1 4.27Å; W323-F352 HydrophobicContact CZ2-CG 4.28Å; W323-F352 AromaticContact CZ3-CD1 3.48Å; W323-F352 HydrophobicContact CZ3-CD1 3.48Å; W323-F352 VanDerWaalsContact CZ3-CD1 3.48Å; W323-F352 AromaticContact CZ3-CE1 3.78Å; W323-F352 HydrophobicContact CZ3-CE1 3.78Å; K335-F352 HydrophobicContact CD-CZ 4.45Å; K335-F352 HydrophobicContact CG-CE1 4.14Å; K335-F352 HydrophobicContact CG-CZ 3.83Å; L338-F352 HydrophobicContact CD1-CE1 3.96Å; L338-F352 HydrophobicContact CD1-CZ 4.42Å; V350-F352 HydrophobicContact CG1-CE1 4.41Å; V350-F352 HydrophobicContact CG1-CE2 4.26Å; V350-F352 HydrophobicContact CG1-CZ 4Å
353I91.1Very high82.4Confident2 Ų246.5 Ų46.51%0.0127%0.268CS..  trans-129.8162.6-173.970.4162000112.3L218 V319 V320 N321 K322 W323 H351 S359 L364L218-I353 HydrophobicContact CD1-CD1 3.5Å; L218-I353 HydrophobicContact CD2-CD1 4.08Å; L218-I353 HydrophobicContact CG-CD1 4.39Å; V319-I353 HydrophobicContact CG1-CD1 3.19Å; V319-I353 HydrophobicContact CG1-CG1 3.5Å; V319-I353 HydrophobicContact CG1-CG2 4.36Å; V320-I353 PolarHBondContact O-N 2.83Å; N321-I353 CarbonylContact C-O 3.58Å; N321-I353 WeakPolarHBondContact CA-O 3.46Å; N321-I353 HydrophobicContact CB-CG1 4.24Å; K322-I353 PolarHBondContact N-O 2.68Å; W323-I353 VanDerWaalsContact CB-O 3.29Å; W323-I353 WeakPolarHBondContact CB-O 3.33Å; W323-I353 PolarHBondContact N-O 3.15Å; W323-I353 VanDerWaalsContact N-O 3.17Å; H351-I353 HydrophobicContact CB-CG2 4.28Å; I353-S359 WeakPolarHBondContact CA-O 3.49Å; I353-L364 HydrophobicContact CD1-CD1 4.23Å; I353-L364 HydrophobicContact CG2-CD1 4.49Å; I353-L364 HydrophobicContact CG2-CD2 4.14Å; I353-L364 HydrophobicContact CG2-CG 4.43Å
354S90.2Very high83.3Confident4 Ų444.3 Ų44.33%0.02825%0.245CC..BIsolated β-bridgetrans-123.4104159.4179.20000109.1D324 L356 H357 G358 S359D324-S354 VanDerWaalsContact OD1-CB 3.32Å; D324-S354 WeakPolarHBondContact OD1-CB 3.26Å; D324-S354 PolarHBondContact OD1-OG 2.74Å; S354-L356 PolarHBondContact O-N 3.44Å; S354-H357 PolarHBondContact O-N 3.15Å; S354-H357 PolarHBondContact OG-CD2 2.74Å; S354-H357 PolarHBondContact OG-N 2.79Å; S354-G358 WeakPolarHBondContact O-CA 3.34Å; S354-G358 PolarHBondContact O-N 2.88Å; S354-S359 PolarHBondContact N-O 3.2Å; S354-S359 PolarHBondContact O-N 2.67Å
355A86.2Confident84Confident1 Ų141.9 Ų41.91%0.00823%0.234CC..THydrogen-bonded Turntrans-60.8-28.117700000112.5T217 L218 N321T217-A355 HydrophobicContact CG2-CB 3.95Å; L218-A355 HydrophobicContact CB-CB 4.05Å; L218-A355 HydrophobicContact CD1-CB 4.27Å; N321-A355 WeakPolarHBondContact OD1-CB 3.49Å; N321-A355 PolarHBondContact OD1-N 3.03Å
356L85.4Confident84.6Confident123 Ų12347.1 Ų47.164%0.64426%0.259SS*.THydrogen-bonded Turntrans-71.7-45.4178.7-175.965.4000111.9S354S354-L356 PolarHBondContact O-N 3.44Å
357H83.9Confident85.4Confident119 Ų11943 Ų4355%0.55124%0.237SC*.THydrogen-bonded Turntrans-89.9-12.7-178.5-64.3-65.2000113.7D324 S354 S359D324-H357 IonicContact OD2-NE2 3.78Å; S354-H357 PolarHBondContact O-N 3.15Å; S354-H357 PolarHBondContact OG-CD2 2.74Å; S354-H357 PolarHBondContact OG-N 2.79Å; H357-S359 VanDerWaalsContact C-N 3.25Å; H357-S359 PolarHBondContact O-N 3.05Å
358G82.1Confident85.9Confident21 Ų2142.5 Ų42.522%0.21624%0.235CC..THydrogen-bonded Turntrans78.23.9-175.100000114.2S354 G360S354-G358 WeakPolarHBondContact O-CA 3.34Å; S354-G358 PolarHBondContact O-N 2.88Å; G358-G360 PolarHBondContact O-N 2.75Å
359S83.9Confident86.2Confident72 Ų7245.6 Ų45.650%0.50325%0.245SC..BIsolated β-bridgetrans-67.9122.8-180-51.20000111I353 S354 H357I353-S359 WeakPolarHBondContact CA-O 3.49Å; S354-S359 PolarHBondContact N-O 3.2Å; S354-S359 PolarHBondContact O-N 2.67Å; H357-S359 VanDerWaalsContact C-N 3.25Å; H357-S359 PolarHBondContact O-N 3.05Å
360G81.7Confident86.3Confident30 Ų3043.7 Ų43.731%0.30924%0.24SC..THydrogen-bonded Turntrans83.7-0.5174.800000115.9G358G358-G360 PolarHBondContact O-N 2.75Å
361V82Confident86.3Confident0 Ų041.1 Ų41.10%023%0.225CC..  trans-68.6-36.8-176.6-1780000112.2L218 R221 I222 E225 N363 L364L218-V361 HydrophobicContact CD1-CG1 4.27Å; L218-V361 HydrophobicContact CD1-CG2 4.29Å; R221-V361 HydrophobicContact CG-CG1 4.49Å; R221-V361 HydrophobicContact CG-CG2 4.17Å; I222-V361 HydrophobicContact CG1-CG1 3.94Å; E225-V361 WeakPolarHBondContact OE1-CB 3.36Å; E225-V361 VanDerWaalsContact OE1-CG1 3.23Å; E225-V361 WeakPolarHBondContact OE1-CG1 3.29Å; V361-N363 VanDerWaalsContact C-N 3.27Å; V361-N363 PolarHBondContact O-N 2.88Å; V361-L364 HydrophobicContact CG1-CD1 4.23Å; V361-L364 VanDerWaalsContact O-CB 3.3Å; V361-L364 WeakPolarHBondContact O-CB 3.24Å; V361-L364 WeakPolarHBondContact O-CG 3.49Å; V361-L364 PolarHBondContact O-N 2.99Å; V361-L364 VanDerWaalsContact O-N 3.15Å
362G79.9Confident86.3Confident27 Ų2740 Ų4028%0.27822%0.219SC..Hα-helixtrans-60.3-32.5179.300000114.6L364G362-L364 PolarHBondContact O-N 2.75Å
363N83.6Confident86.1Confident89 Ų8940 Ų4048%0.47622%0.223SC..Hα-helixtrans-73.3-16.8-178.5-623.5000112.7V361 F365 E366 S367V361-N363 VanDerWaalsContact C-N 3.27Å; V361-N363 PolarHBondContact O-N 2.88Å; N363-F365 VanDerWaalsContact C-N 3.31Å; N363-F365 PolarHBondContact O-N 2.92Å; N363-E366 PolarHBondContact O-N 3.2Å; N363-S367 PolarHBondContact O-N 2.9Å
364L87Confident85.8Confident1 Ų141 Ų411%0.00523%0.229CC..Hα-helixtrans-62.6-41.1179.9-62.6176.9000111.2L218 M289 V319 H351 I353 V361 G362 E366 S367 V368L218-L364 HydrophobicContact CD1-CD1 4.09Å; M289-L364 HydrophobicContact CE-CD1 4.23Å; V319-L364 HydrophobicContact CG1-CD2 4.24Å; V319-L364 HydrophobicContact CG2-CD2 3.72Å; H351-L364 HydrophobicContact CB-CD2 3.55Å; I353-L364 HydrophobicContact CD1-CD1 4.23Å; I353-L364 HydrophobicContact CG2-CD1 4.49Å; I353-L364 HydrophobicContact CG2-CD2 4.14Å; I353-L364 HydrophobicContact CG2-CG 4.43Å; V361-L364 HydrophobicContact CG1-CD1 4.23Å; V361-L364 VanDerWaalsContact O-CB 3.3Å; V361-L364 WeakPolarHBondContact O-CB 3.24Å; V361-L364 WeakPolarHBondContact O-CG 3.49Å; V361-L364 PolarHBondContact O-N 2.99Å; V361-L364 VanDerWaalsContact O-N 3.15Å; G362-L364 PolarHBondContact O-N 2.75Å; L364-E366 VanDerWaalsContact C-N 3.32Å; L364-E366 PolarHBondContact O-N 3.3Å; L364-S367 PolarHBondContact O-N 3.12Å; L364-V368 VanDerWaalsContact O-CG2 3.3Å; L364-V368 WeakPolarHBondContact O-CG2 3.38Å; L364-V368 PolarHBondContact O-N 3.21Å
365F85.7Confident85.6Confident4 Ų440.8 Ų40.82%0.01823%0.228CC..Hα-helixtrans-66.6-32.1-177.9-73.5-80.7000113.3I222 M245 R247 Y252 N363 V368 R369I222-F365 HydrophobicContact CG1-CE2 4.35Å; I222-F365 HydrophobicContact CG1-CZ 4.39Å; I222-F365 HydrophobicContact CG2-CE2 4.27Å; I222-F365 HydrophobicContact CG2-CZ 3.63Å; M245-F365 HydrophobicContact CE-CE1 3.85Å; M245-F365 HydrophobicContact CE-CZ 3.79Å; R247-F365 VanDerWaalsContact NH1-CD2 3.3Å; Y252-F365 HydrophobicContact CE1-CD1 4.25Å; N363-F365 VanDerWaalsContact C-N 3.31Å; N363-F365 PolarHBondContact O-N 2.92Å; F365-V368 PolarHBondContact O-N 3.42Å; F365-R369 WeakPolarHBondContact O-CG 3.34Å; F365-R369 PolarHBondContact O-N 2.99Å
366E86.6Confident85.5Confident118 Ų11841.5 Ų41.555%0.55123%0.233SC*.Hα-helixtrans-63-46.3173.9-65.3-178.9172.300110.8N363 L364 R369 E370N363-E366 PolarHBondContact O-N 3.2Å; L364-E366 VanDerWaalsContact C-N 3.32Å; L364-E366 PolarHBondContact O-N 3.3Å; E366-R369 PolarHBondContact O-N 2.68Å; E366-E370 WeakPolarHBondContact O-CB 3.42Å; E366-E370 PolarHBondContact O-N 3.4Å
367S88.7Confident85.5Confident10 Ų1043.2 Ų43.27%0.0723%0.231CC..Hα-helixtrans-72.6-29.8177-67.50000114.1H351 N363 L364 A371H351-S367 PolarHBondContact CE1-OG 2.96Å; H351-S367 WeakPolarHBondContact NE2-CB 3.43Å; H351-S367 PolarHBondContact NE2-OG 2.94Å; N363-S367 PolarHBondContact O-N 2.9Å; L364-S367 PolarHBondContact O-N 3.12Å; S367-A371 WeakPolarHBondContact O-CB 3.4Å; S367-A371 PolarHBondContact O-N 3.08Å
368V89.1Confident85.4Confident1 Ų144.4 Ų44.41%0.00623%0.23CC..Hα-helixtrans-64-45.7172.7167.70000110.2I203 L205 Y252 V287 M289 V317 L364 F365 A371 Y372I203-V368 HydrophobicContact CG2-CG1 4.34Å; L205-V368 HydrophobicContact CD1-CG1 4Å; L205-V368 HydrophobicContact CD1-CG2 3.95Å; Y252-V368 HydrophobicContact CE1-CG1 4.2Å; V287-V368 HydrophobicContact CB-CG1 4.23Å; V287-V368 HydrophobicContact CG1-CB 4.46Å; V287-V368 HydrophobicContact CG1-CG1 4.11Å; V287-V368 HydrophobicContact CG1-CG2 4.22Å; V287-V368 HydrophobicContact CG2-CG1 4.23Å; M289-V368 HydrophobicContact CG-CG2 4.35Å; M289-V368 HydrophobicContact SD-CG2 4.18Å; V317-V368 HydrophobicContact CG2-CG2 4.3Å; L364-V368 VanDerWaalsContact O-CG2 3.3Å; L364-V368 WeakPolarHBondContact O-CG2 3.38Å; L364-V368 PolarHBondContact O-N 3.21Å; F365-V368 PolarHBondContact O-N 3.42Å; V368-A371 PolarHBondContact O-N 3.23Å; V368-Y372 WeakPolarHBondContact O-CB 3.33Å; V368-Y372 PolarHBondContact O-N 3.13Å
369R88.3Confident85.6Confident76 Ų7644.6 Ų44.629%0.28723%0.227SC..Hα-helixtrans-62.1-50.3174.3-73-174.5-66.7-173.41.3111.7Y252 F365 E366 A371 Y372 D373Y252-R369 WeakPolarHBondContact OH-CD 3.44Å; Y252-R369 WeakPolarHBondContact OH-CG 3.29Å; F365-R369 WeakPolarHBondContact O-CG 3.34Å; F365-R369 PolarHBondContact O-N 2.99Å; E366-R369 PolarHBondContact O-N 2.68Å; R369-A371 PolarHBondContact O-N 3.26Å; R369-Y372 PolarHBondContact O-N 2.92Å; R369-Y372 VanDerWaalsContact O-N 3.07Å; R369-D373 WeakPolarHBondContact O-CB 3.39Å; R369-D373 PolarHBondContact O-N 3.29Å
370E88.2Confident85.8Confident62 Ų6243.2 Ų43.229%0.2923%0.225SC..Hα-helixtrans-53.5-43.3177.3-174.3-172.9-16300111.7R349 E366 S374 M449R349-E370 IonicContact CZ-OE1 3.77Å; R349-E370 IonicContact CZ-OE2 3.05Å; R349-E370 IonicContact NE-OE1 3.67Å; R349-E370 IonicContact NE-OE2 3.28Å; R349-E370 PolarHBondContact NE-OE2 2.95Å; R349-E370 IonicContact NH2-OE1 3.01Å; R349-E370 PolarHBondContact NH2-OE1 3.44Å; R349-E370 IonicContact NH2-OE2 3.61Å; E366-E370 WeakPolarHBondContact O-CB 3.42Å; E366-E370 PolarHBondContact O-N 3.4Å; E370-S374 WeakPolarHBondContact O-CB 3.29Å; E370-S374 PolarHBondContact O-N 3.49Å; E370-S374 PolarHBondContact O-OG 2.87Å; E370-M449 HydrophobicContact CG-CB 4.3Å
371A88.3Confident86.1Confident2 Ų245.3 Ų45.32%0.01723%0.231CC..Hα-helixtrans-72.7-34179.700000113.3S315 V317 S367 V368 R369 S375S315-A371 PolarHBondContact OG-O 2.94Å; V317-A371 HydrophobicContact CG2-CB 4.35Å; S367-A371 WeakPolarHBondContact O-CB 3.4Å; S367-A371 PolarHBondContact O-N 3.08Å; V368-A371 PolarHBondContact O-N 3.23Å; R369-A371 PolarHBondContact O-N 3.26Å; A371-S375 WeakPolarHBondContact O-CB 3.24Å; A371-S375 PolarHBondContact O-N 3.15Å; A371-S375 PolarHBondContact O-OG 3.31Å
372Y89.2Confident86.6Confident7 Ų749.2 Ų49.23%0.02726%0.259CS..Hα-helixtrans-69-53173.8-176.5-102.1000110.5P198 I203 N286 V287 V368 R369 S374 S375 T376P198-Y372 PolarHBondContact O-OH 3.07Å; I203-Y372 HydrophobicContact CD1-CD1 3.74Å; I203-Y372 HydrophobicContact CD1-CE1 4.3Å; I203-Y372 HydrophobicContact CD1-CG 3.87Å; I203-Y372 HydrophobicContact CG1-CD1 3.8Å; I203-Y372 HydrophobicContact CG1-CD2 4.12Å; I203-Y372 HydrophobicContact CG1-CE1 3.92Å; I203-Y372 HydrophobicContact CG1-CE2 4.24Å; I203-Y372 HydrophobicContact CG1-CG 3.9Å; I203-Y372 HydrophobicContact CG2-CD2 3.98Å; I203-Y372 HydrophobicContact CG2-CE2 4.49Å; I203-Y372 HydrophobicContact CG2-CG 4.22Å; N286-Y372 HydrophobicContact CB-CD2 3.77Å; N286-Y372 HydrophobicContact CB-CE2 3.73Å; V287-Y372 HydrophobicContact CG2-CD2 4.29Å; V368-Y372 WeakPolarHBondContact O-CB 3.33Å; V368-Y372 PolarHBondContact O-N 3.13Å; R369-Y372 PolarHBondContact O-N 2.92Å; R369-Y372 VanDerWaalsContact O-N 3.07Å; Y372-S374 VanDerWaalsContact C-N 3.31Å; Y372-S374 PolarHBondContact O-N 2.8Å; Y372-S375 WeakPolarHBondContact O-CA 3.47Å; Y372-S375 WeakPolarHBondContact O-CB 3.14Å; Y372-S375 PolarHBondContact O-N 2.9Å; Y372-S375 PolarHBondContact O-OG 3.3Å; Y372-T376 HydrophobicContact CD1-CG2 4.37Å; Y372-T376 HydrophobicContact CD2-CG2 4.32Å; Y372-T376 HydrophobicContact CE1-CG2 3.96Å; Y372-T376 HydrophobicContact CE2-CG2 3.91Å; Y372-T376 PolarHBondContact O-N 3.23Å; Y372-T376 PolarHBondContact O-OG1 3.38Å; Y372-T376 VanDerWaalsContact O-OG1 3.07Å
373D86.9Confident87.2Confident71 Ų7152.6 Ų52.638%0.3827%0.268SS..Hα-helixtrans-59.1-42.7-178.9-63.5-18.4000111.2R369 S375 T376 R377R369-D373 WeakPolarHBondContact O-CB 3.39Å; R369-D373 PolarHBondContact O-N 3.29Å; D373-S375 PolarHBondContact O-N 3.36Å; D373-T376 PolarHBondContact O-N 3.44Å; D373-T376 PolarHBondContact O-OG1 3.36Å; D373-R377 VanDerWaalsContact O-CB 3.3Å; D373-R377 WeakPolarHBondContact O-CB 3.35Å; D373-R377 PolarHBondContact O-N 3.07Å
374S85.7Confident87.6Confident22 Ų2248.5 Ų48.515%0.15425%0.246CC..Hα-helixtrans-61.9-31175.4-64.30000112.9E370 Y372 M449E370-S374 WeakPolarHBondContact O-CB 3.29Å; E370-S374 PolarHBondContact O-N 3.49Å; E370-S374 PolarHBondContact O-OG 2.87Å; Y372-S374 VanDerWaalsContact C-N 3.31Å; Y372-S374 PolarHBondContact O-N 2.8Å; S374-M449 VanDerWaalsContact CB-O 3.29Å; S374-M449 WeakPolarHBondContact CB-O 3.12Å
375S84.3Confident87.8Confident0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-83.8-28.3-178.978.10000113.8S315 A371 Y372 D373 N416 S451S315-S375 WeakPolarHBondContact OG-CB 3.2Å; A371-S375 WeakPolarHBondContact O-CB 3.24Å; A371-S375 PolarHBondContact O-N 3.15Å; A371-S375 PolarHBondContact O-OG 3.31Å; Y372-S375 WeakPolarHBondContact O-CA 3.47Å; Y372-S375 WeakPolarHBondContact O-CB 3.14Å; Y372-S375 PolarHBondContact O-N 2.9Å; Y372-S375 PolarHBondContact O-OG 3.3Å; D373-S375 PolarHBondContact O-N 3.36Å; S375-N416 PolarHBondContact O-N 3.06Å; S375-S451 WeakPolarHBondContact CB-OG 3.39Å
376T84.6Confident88.2Confident17 Ų1757.5 Ų57.510%0.10428%0.284CS..Hα-helixtrans-99.6-9.4-177.8560000113.4Y372 D373 R378 N416Y372-T376 HydrophobicContact CD1-CG2 4.37Å; Y372-T376 HydrophobicContact CD2-CG2 4.32Å; Y372-T376 HydrophobicContact CE1-CG2 3.96Å; Y372-T376 HydrophobicContact CE2-CG2 3.91Å; Y372-T376 PolarHBondContact O-N 3.23Å; Y372-T376 PolarHBondContact O-OG1 3.38Å; Y372-T376 VanDerWaalsContact O-OG1 3.07Å; D373-T376 PolarHBondContact O-N 3.44Å; D373-T376 PolarHBondContact O-OG1 3.36Å; T376-R378 PolarHBondContact O-N 3Å; T376-R378 VanDerWaalsContact O-N 3.15Å; T376-N416 HydrophobicContact CG2-CB 4.31Å
377R84.7Confident88.5Confident159 Ų15952.6 Ų52.660%0.626%0.261SS*.  trans-54.9118.2179.2-172174.1-174.6177.94.5112.1D373 V379 Y415D373-R377 VanDerWaalsContact O-CB 3.3Å; D373-R377 WeakPolarHBondContact O-CB 3.35Å; D373-R377 PolarHBondContact O-N 3.07Å; R377-V379 PolarHBondContact O-N 2.79Å; R377-Y415 WeakPolarHBondContact O-CE1 3.3Å
378R83.3Confident88.7Confident144 Ų14452.2 Ų52.254%0.54326%0.258SS..  trans-69.5126.1172-64.3-172.6179.4174.55.7110.3F196 T376 Y415F196-R378 PolarHBondContact O-NH2 2.93Å; T376-R378 PolarHBondContact O-N 3Å; T376-R378 VanDerWaalsContact O-N 3.15Å; R378-Y415 HydrophobicContact CB-CE1 4.35Å; R378-Y415 HydrophobicContact CG-CE1 4.2Å; R378-Y415 HydrophobicContact CG-CE2 4.13Å
379V85.8Confident88.9Confident24 Ų2455.1 Ų55.115%0.14528%0.276CS..  trans-121.3124.9179.3-174.30000109.3R377 M383 L384 L446R377-V379 PolarHBondContact O-N 2.79Å; V379-M383 HydrophobicContact CG1-CB 4.04Å; V379-M383 HydrophobicContact CG1-CG 4.12Å; V379-M383 HydrophobicContact CG1-SD 3.81Å; V379-L384 HydrophobicContact CB-CD2 4.44Å; V379-L384 HydrophobicContact CB-CG 4.4Å; V379-L384 HydrophobicContact CG1-CD2 3.87Å; V379-L384 HydrophobicContact CG1-CG 3.81Å; V379-L446 HydrophobicContact CG1-CD2 3.86Å; V379-L446 HydrophobicContact CG2-CD2 4.15Å
380G87.2Confident89.2Confident44 Ų4455.9 Ų55.945%0.45428%0.284SS..  trans-66.4145.1179.700000113.5S382 M383 L384G380-S382 PolarHBondContact O-N 3.01Å; G380-S382 VanDerWaalsContact O-N 3.13Å; G380-M383 WeakPolarHBondContact O-CB 3.45Å; G380-M383 PolarHBondContact O-N 3.32Å; G380-L384 PolarHBondContact O-N 3.21Å
381T89.8Confident89.4Confident73 Ų7353 Ų5345%0.44827%0.27SS..Hα-helixtrans-52.2-35.1176.8-56.40000113.1T385 A410 H411T381-T385 VanDerWaalsContact O-CB 3.28Å; T381-T385 WeakPolarHBondContact O-CB 3.37Å; T381-T385 PolarHBondContact O-N 3.35Å; T381-T385 PolarHBondContact O-OG1 3.49Å; T381-A410 VanDerWaalsContact CG2-O 3.31Å; T381-A410 WeakPolarHBondContact CG2-O 3.48Å; T381-H411 HydrophobicContact CG2-CB 4.04Å
382S91.3Very high89.7Confident83 Ų8354.8 Ų54.858%0.5828%0.281SS*.Hα-helixtrans-66.6-36.7178.863.30000112.8G380 R386G380-S382 PolarHBondContact O-N 3.01Å; G380-S382 VanDerWaalsContact O-N 3.13Å; S382-R386 WeakPolarHBondContact O-CB 3.36Å; S382-R386 PolarHBondContact O-N 3.14Å; S382-R386 VanDerWaalsContact O-N 3.15Å
383M91.8Very high89.8Confident98 Ų9861 Ų6148%0.48331%0.311SS..Hα-helixtrans-71.5-48.2176.9-175.9177-74.200110.2V379 G380 T385 R386 I387 L446V379-M383 HydrophobicContact CG1-CB 4.04Å; V379-M383 HydrophobicContact CG1-CG 4.12Å; V379-M383 HydrophobicContact CG1-SD 3.81Å; G380-M383 WeakPolarHBondContact O-CB 3.45Å; G380-M383 PolarHBondContact O-N 3.32Å; M383-T385 VanDerWaalsContact C-N 3.34Å; M383-T385 PolarHBondContact O-N 3.17Å; M383-R386 WeakPolarHBondContact O-CB 3.26Å; M383-R386 PolarHBondContact O-N 3.44Å; M383-R386 VanDerWaalsContact O-N 3.17Å; M383-I387 HydrophobicContact CG-CD1 3.97Å; M383-I387 WeakPolarHBondContact O-CG1 3.28Å; M383-I387 PolarHBondContact O-N 3.42Å; M383-L446 HydrophobicContact SD-CD2 4.25Å
384L92.4Very high90.1Very high2 Ų262.9 Ų62.91%0.0132%0.32CS..Hα-helixtrans-59.8-43.5178-67.7174.8000112.4V379 G380 R386 I387 M388 A410 A412 V420 F442 L446V379-L384 HydrophobicContact CB-CD2 4.44Å; V379-L384 HydrophobicContact CB-CG 4.4Å; V379-L384 HydrophobicContact CG1-CD2 3.87Å; V379-L384 HydrophobicContact CG1-CG 3.81Å; G380-L384 PolarHBondContact O-N 3.21Å; L384-R386 VanDerWaalsContact C-N 3.32Å; L384-R386 PolarHBondContact O-N 2.89Å; L384-I387 PolarHBondContact O-N 3.04Å; L384-M388 WeakPolarHBondContact O-CB 3.22Å; L384-M388 PolarHBondContact O-N 2.93Å; L384-A410 HydrophobicContact CB-CB 4.09Å; L384-A412 HydrophobicContact CD1-CB 4.14Å; L384-V420 HydrophobicContact CD2-CG1 4.34Å; L384-V420 HydrophobicContact CD2-CG2 3.97Å; L384-F442 HydrophobicContact CB-CE1 4.44Å; L384-F442 HydrophobicContact CD2-CD1 4.15Å; L384-F442 HydrophobicContact CD2-CE1 3.97Å; L384-L446 HydrophobicContact CD2-CD1 4Å
385T92.8Very high90.4Very high32 Ų3267 Ų6720%0.19634%0.337CS..Hα-helixtrans-66.5-35.2178.2-62.80000111.9T381 M383 M388 T389 A410T381-T385 VanDerWaalsContact O-CB 3.28Å; T381-T385 WeakPolarHBondContact O-CB 3.37Å; T381-T385 PolarHBondContact O-N 3.35Å; T381-T385 PolarHBondContact O-OG1 3.49Å; M383-T385 VanDerWaalsContact C-N 3.34Å; M383-T385 PolarHBondContact O-N 3.17Å; T385-M388 HydrophobicContact CG2-CE 4.34Å; T385-T389 WeakPolarHBondContact O-CB 3.49Å; T385-T389 PolarHBondContact O-N 2.8Å; T385-T389 PolarHBondContact O-OG1 3Å; T385-A410 PolarHBondContact OG1-N 3.12Å; T385-A410 VanDerWaalsContact OG1-N 3.08Å; T385-A410 PolarHBondContact OG1-O 3.21Å
386R93.5Very high90.7Very high163 Ų16372 Ų7262%0.61536%0.36SS*.Hα-helixtrans-66.6-48.1175.1-167.2-174.7-41.6-155.54111.8S382 M383 L384 M388 T389 M390S382-R386 WeakPolarHBondContact O-CB 3.36Å; S382-R386 PolarHBondContact O-N 3.14Å; S382-R386 VanDerWaalsContact O-N 3.15Å; M383-R386 WeakPolarHBondContact O-CB 3.26Å; M383-R386 PolarHBondContact O-N 3.44Å; M383-R386 VanDerWaalsContact O-N 3.17Å; L384-R386 VanDerWaalsContact C-N 3.32Å; L384-R386 PolarHBondContact O-N 2.89Å; R386-M388 VanDerWaalsContact C-N 3.3Å; R386-M388 PolarHBondContact O-N 3.45Å; R386-T389 PolarHBondContact O-N 3.42Å; R386-T389 VanDerWaalsContact O-N 3.08Å; R386-M390 WeakPolarHBondContact O-CG 3.41Å; R386-M390 PolarHBondContact O-N 3.25Å
387I93.2Very high91Very high14 Ų1471.5 Ų71.57%0.07236%0.358CS..Hα-helixtrans-57.3-45.6175.6-66.6167.3000110.3M383 L384 T389 M390 A391 Y441 F442 L446M383-I387 HydrophobicContact CG-CD1 3.97Å; M383-I387 WeakPolarHBondContact O-CG1 3.28Å; M383-I387 PolarHBondContact O-N 3.42Å; L384-I387 PolarHBondContact O-N 3.04Å; I387-T389 VanDerWaalsContact C-N 3.31Å; I387-T389 PolarHBondContact O-N 2.91Å; I387-M390 PolarHBondContact O-N 2.77Å; I387-A391 WeakPolarHBondContact O-CB 3.23Å; I387-A391 PolarHBondContact O-N 3.32Å; I387-Y441 HydrophobicContact CG2-CD1 3.78Å; I387-Y441 HydrophobicContact CG2-CE1 3.95Å; I387-F442 HydrophobicContact CB-CD1 4.23Å; I387-F442 HydrophobicContact CB-CE1 3.95Å; I387-F442 HydrophobicContact CG2-CD1 3.57Å; I387-F442 HydrophobicContact CG2-CE1 3.69Å; I387-F442 HydrophobicContact CG2-CG 4.17Å; I387-F442 HydrophobicContact CG2-CZ 4.36Å; I387-L446 HydrophobicContact CD1-CD2 3.55Å; I387-L446 HydrophobicContact CD1-CG 3.94Å
388M93.1Very high91.2Very high3 Ų366.1 Ų66.12%0.01534%0.343CS..Hα-helixtrans-57.9-42.8175.5-173.3-164.86800112.3L384 T385 R386 A391 V392 L407 A410 I422 F442L384-M388 WeakPolarHBondContact O-CB 3.22Å; L384-M388 PolarHBondContact O-N 2.93Å; T385-M388 HydrophobicContact CG2-CE 4.34Å; R386-M388 VanDerWaalsContact C-N 3.3Å; R386-M388 PolarHBondContact O-N 3.45Å; M388-A391 PolarHBondContact O-N 2.91Å; M388-V392 WeakPolarHBondContact O-CG2 3.34Å; M388-V392 PolarHBondContact O-N 3.48Å; M388-V392 VanDerWaalsContact O-N 3.07Å; M388-L407 HydrophobicContact CE-CB 4.15Å; M388-L407 HydrophobicContact CG-CB 4.37Å; M388-L407 HydrophobicContact CG-CD1 4.17Å; M388-L407 HydrophobicContact SD-CB 3.69Å; M388-L407 HydrophobicContact SD-CD1 4.41Å; M388-A410 HydrophobicContact CB-CB 4.39Å; M388-A410 HydrophobicContact SD-CB 4.06Å; M388-I422 HydrophobicContact SD-CG2 3.76Å; M388-F442 HydrophobicContact CB-CZ 3.88Å
389T93.1Very high91.5Very high62 Ų6264.8 Ų64.838%0.3835%0.346SS..Hα-helixtrans-67.1-45.1-177.6-560000110.5T385 R386 I387 A391 V392 E393T385-T389 WeakPolarHBondContact O-CB 3.49Å; T385-T389 PolarHBondContact O-N 2.8Å; T385-T389 PolarHBondContact O-OG1 3Å; R386-T389 PolarHBondContact O-N 3.42Å; R386-T389 VanDerWaalsContact O-N 3.08Å; I387-T389 VanDerWaalsContact C-N 3.31Å; I387-T389 PolarHBondContact O-N 2.91Å; T389-A391 VanDerWaalsContact C-N 3.34Å; T389-A391 PolarHBondContact O-N 3.34Å; T389-V392 PolarHBondContact O-N 3.39Å; T389-E393 WeakPolarHBondContact O-CG 3.44Å; T389-E393 PolarHBondContact O-N 3.02Å
390M93.9Very high91.4Very high92 Ų9265 Ų6545%0.45335%0.347SS..Hα-helixtrans-59.7-43.4173.9-64.5177.167.200111.7R386 I387 V392 E393 D394 Y441R386-M390 WeakPolarHBondContact O-CG 3.41Å; R386-M390 PolarHBondContact O-N 3.25Å; I387-M390 PolarHBondContact O-N 2.77Å; M390-V392 VanDerWaalsContact C-N 3.28Å; M390-V392 PolarHBondContact O-N 3.43Å; M390-E393 PolarHBondContact O-N 3.45Å; M390-E393 VanDerWaalsContact O-N 3.14Å; M390-D394 PolarHBondContact O-N 2.85Å; M390-Y441 HydrophobicContact CB-CE1 4.32Å; M390-Y441 VanDerWaalsContact CB-OH 3.3Å; M390-Y441 WeakPolarHBondContact CB-OH 3.41Å
391A93.4Very high91.1Very high0 Ų072.6 Ų72.60%036%0.362CS..Hα-helixtrans-59.6-38176.500000112.8I387 M388 T389 H395 Y437 L438 Y441I387-A391 WeakPolarHBondContact O-CB 3.23Å; I387-A391 PolarHBondContact O-N 3.32Å; M388-A391 PolarHBondContact O-N 2.91Å; T389-A391 VanDerWaalsContact C-N 3.34Å; T389-A391 PolarHBondContact O-N 3.34Å; A391-H395 PolarHBondContact O-N 2.66Å; A391-Y437 HydrophobicContact CB-CE1 4.21Å; A391-Y437 WeakPolarHBondContact O-CE1 3.43Å; A391-Y437 PolarHBondContact O-OH 2.99Å; A391-L438 HydrophobicContact CB-CD2 3.96Å; A391-Y441 HydrophobicContact CB-CD1 3.56Å; A391-Y441 HydrophobicContact CB-CD2 4.03Å; A391-Y441 HydrophobicContact CB-CE1 3.74Å; A391-Y441 HydrophobicContact CB-CE2 4.2Å; A391-Y441 HydrophobicContact CB-CG 3.69Å
392V92.7Very high90.6Very high40 Ų4072.5 Ų72.524%0.24238%0.376CS..Hα-helixtrans-72.4-33.4177.7166.90000112M388 T389 M390 H395 Q396 P397 L407M388-V392 WeakPolarHBondContact O-CG2 3.34Å; M388-V392 PolarHBondContact O-N 3.48Å; M388-V392 VanDerWaalsContact O-N 3.07Å; T389-V392 PolarHBondContact O-N 3.39Å; M390-V392 VanDerWaalsContact C-N 3.28Å; M390-V392 PolarHBondContact O-N 3.43Å; V392-H395 CarbonylContact O-C 3.5Å; V392-Q396 WeakPolarHBondContact O-CA 3.42Å; V392-Q396 PolarHBondContact O-N 3.08Å; V392-P397 HydrophobicContact CG1-CG 4.43Å; V392-P397 HydrophobicContact CG2-CG 4.37Å; V392-L407 HydrophobicContact CG2-CD1 3.74Å; V392-L407 HydrophobicContact CG2-CG 4.35Å
393E92.7Very high90.2Very high139 Ų13976.8 Ų76.865%0.6538%0.38SS*.Hα-helixtrans-68.8-47.1175-73.6176.7179.600111.3T389 M390T389-E393 WeakPolarHBondContact O-CG 3.44Å; T389-E393 PolarHBondContact O-N 3.02Å; M390-E393 PolarHBondContact O-N 3.45Å; M390-E393 VanDerWaalsContact O-N 3.14Å
394D93.2Very high89.9Confident109 Ų10977.9 Ų77.958%0.58338%0.378SS*.Hα-helixtrans-63.7-42.2177.8-71.9-23.4000111.7M390 Y441M390-D394 PolarHBondContact O-N 2.85Å; D394-Y441 HydrophobicContact CB-CE2 4.45Å; D394-Y441 WeakPolarHBondContact OD2-CE2 3.5Å; D394-Y441 PolarHBondContact OD2-OH 3.49Å
395H92.1Very high89.6Confident109 Ų10977.9 Ų77.951%0.50538%0.379SS..SBendtrans-141.1105.6177.2-157.168.3000112A391 V392 Y434 Y437A391-H395 PolarHBondContact O-N 2.66Å; V392-H395 CarbonylContact O-C 3.5Å; H395-Y434 AromaticContact CD2-CE2 3.84Å; H395-Y434 WeakPolarHBondContact O-CE2 3.13Å; H395-Y434 PolarHBondContact O-OH 3.44Å; H395-Y437 HydrophobicContact CB-CD1 4.45Å; H395-Y437 HydrophobicContact CB-CE1 3.74Å; H395-Y437 HydrophobicContact CB-CE2 4.04Å; H395-Y437 WeakPolarHBondContact CB-OH 3.46Å
396Q90.9Very high89.4Confident105 Ų10583 Ų8349%0.49140%0.398SS..PPolyproline II helixtrans-65.8140.5-177.1-66.4-174.4-1.400112.1V392 R404V392-Q396 WeakPolarHBondContact O-CA 3.42Å; V392-Q396 PolarHBondContact O-N 3.08Å; Q396-R404 VanDerWaalsContact OE1-NH2 3.17Å
397P90.3Very high89.2Confident7 Ų776.5 Ų76.55%0.04538%0.375CS..PPolyproline II helixtrans-57.3143174.1-23.729.9000112.4V392 V405 L430 Y434V392-P397 HydrophobicContact CG1-CG 4.43Å; V392-P397 HydrophobicContact CG2-CG 4.37Å; P397-V405 HydrophobicContact CB-CB 4.14Å; P397-L430 HydrophobicContact CB-CD2 4.48Å; P397-Y434 HydrophobicContact CB-CE1 4.28Å; P397-Y434 HydrophobicContact CB-CE2 4.41Å; P397-Y434 WeakPolarHBondContact CD-OH 3.47Å; P397-Y434 HydrophobicContact CG-CE1 4.11Å; P397-Y434 HydrophobicContact CG-CE2 4.49Å; P397-Y434 WeakPolarHBondContact CG-OH 3.49Å
398P89.2Confident89Confident45 Ų4581.6 Ų81.629%0.29240%0.397SS..PPolyproline II helixtrans-64.3158.2177.426.7-33.5000111.7P431P398-P431 HydrophobicContact CG-CG 3.75Å
399L88.6Confident88.9Confident116 Ų11686.4 Ų86.461%0.60742%0.416SS*.EExtended strand (participates in β ladder)trans-78.6124171.1-68.6167.7000109.2R403 R404L399-R403 CarbonylContact C-O 3.57Å; L399-R403 WeakPolarHBondContact CA-O 3.45Å; L399-R404 HydrophobicContact CD2-CB 3.8Å
400V83.3Confident88.9Confident28 Ų2883.5 Ų83.517%0.1740%0.398CS..EExtended strand (participates in β ladder)trans-118.1125.5175-168.80000108.9G402 R403 V405 D429V400-G402 PolarHBondContact O-N 3.26Å; V400-R403 PolarHBondContact N-O 2.82Å; V400-R403 PolarHBondContact O-N 2.69Å; V400-V405 HydrophobicContact CG2-CG2 4.01Å; V400-D429 HydrophobicContact CB-CB 4.3Å; V400-D429 HydrophobicContact CG1-CB 3.71Å
401R81Confident88.8Confident204 Ų20481.1 Ų81.177%0.7739%0.386SS*.THydrogen-bonded Turntrans51.938.5-175.1-59.1176.4176.6166.6-0.5113.3R403 D429R401-R403 PolarHBondContact O-N 2.94Å; R401-D429 IonicContact NH1-OD2 3.91Å
402G80.6Confident88.7Confident72 Ų7282.6 Ų82.674%0.74240%0.397SS*.THydrogen-bonded Turntrans73.56.9179.400000115.1V400V400-G402 PolarHBondContact O-N 3.26Å
403R82.4Confident88.3Confident172 Ų17282.9 Ų82.965%0.64941%0.408SS*.EExtended strand (participates in β ladder)trans-120.1146.3175.4-65.6-178.9-176.8176.51.2109.8L399 V400 R401L399-R403 CarbonylContact C-O 3.57Å; L399-R403 WeakPolarHBondContact CA-O 3.45Å; V400-R403 PolarHBondContact N-O 2.82Å; V400-R403 PolarHBondContact O-N 2.69Å; R401-R403 PolarHBondContact O-N 2.94Å
404R85.1Confident87.9Confident121 Ų12177.2 Ų77.246%0.45739%0.388SS..EExtended strand (participates in β ladder)trans-83.2131.5174.8-168.7170.5-71.1-177.1-10109.3Q396 L399 K406Q396-R404 VanDerWaalsContact OE1-NH2 3.17Å; L399-R404 HydrophobicContact CD2-CB 3.8Å; R404-K406 PolarHBondContact O-N 2.9Å
405V87.4Confident87.4Confident3 Ų376.7 Ų76.72%0.01838%0.378CS..  trans-62.1130.6170.7-178.90000108.4P397 V400 L407 N425 Q426 V427 L430P397-V405 HydrophobicContact CB-CB 4.14Å; V400-V405 HydrophobicContact CG2-CG2 4.01Å; V405-L407 HydrophobicContact CG1-CD2 4.13Å; V405-N425 WeakPolarHBondContact CG1-O 3.42Å; V405-Q426 HydrophobicContact CG2-CB 4.37Å; V405-V427 HydrophobicContact CG1-CG1 4.2Å; V405-L430 HydrophobicContact CB-CD2 3.96Å; V405-L430 HydrophobicContact CB-CG 4.42Å; V405-L430 HydrophobicContact CG1-CD1 4.08Å; V405-L430 HydrophobicContact CG1-CD2 3.83Å; V405-L430 HydrophobicContact CG1-CG 3.85Å; V405-L430 HydrophobicContact CG2-CD2 3.91Å; V405-L430 HydrophobicContact CG2-CG 4.23Å
406K87.1Confident86.8Confident139 Ų13972.4 Ų72.460%0.60436%0.359SS*.EExtended strand (participates in β ladder)trans-113.3111.6179.1-68.1-170.8179-171.60109.5R404 G424 N425R404-K406 PolarHBondContact O-N 2.9Å; K406-G424 CarbonylContact O-C 3.54Å; K406-G424 WeakPolarHBondContact O-CA 3.24Å; K406-N425 PolarHBondContact N-O 2.99Å; K406-N425 PolarHBondContact O-N 3.15Å
407L90.3Very high86.4Confident26 Ų2667.9 Ų67.914%0.13634%0.339CS..EExtended strand (participates in β ladder)trans-82.1130.3169-48.7-175.5000108.1M388 V392 V405 I422 V427 L430 Y434 L438M388-L407 HydrophobicContact CE-CB 4.15Å; M388-L407 HydrophobicContact CG-CB 4.37Å; M388-L407 HydrophobicContact CG-CD1 4.17Å; M388-L407 HydrophobicContact SD-CB 3.69Å; M388-L407 HydrophobicContact SD-CD1 4.41Å; V392-L407 HydrophobicContact CG2-CD1 3.74Å; V392-L407 HydrophobicContact CG2-CG 4.35Å; V405-L407 HydrophobicContact CG1-CD2 4.13Å; L407-I422 HydrophobicContact CB-CG2 4.21Å; L407-I422 HydrophobicContact CD1-CG2 4.33Å; L407-I422 HydrophobicContact CD2-CG2 3.92Å; L407-I422 HydrophobicContact CG-CG2 4.37Å; L407-V427 HydrophobicContact CD2-CG1 3.69Å; L407-L430 HydrophobicContact CD2-CD1 4.13Å; L407-Y434 HydrophobicContact CD1-CE1 4.49Å; L407-L438 HydrophobicContact CD1-CD1 4.1Å
408K88.3Confident86.1Confident122 Ų12268.3 Ų68.353%0.5334%0.341SS..EExtended strand (participates in β ladder)trans-102-54.8-173.3-70.3177.8179.9168.60112H423 N425K408-H423 PolarHBondContact N-O 3.4Å; K408-N425 WeakPolarHBondContact CE-OD1 3.31Å; K408-N425 PolarHBondContact NZ-OD1 2.71Å
409Y92.1Very high86.1Confident104 Ų10467.4 Ų67.441%0.40833%0.334SS..EExtended strand (participates in β ladder)trans-157.3162179.770-86.2000110.3H423Y409-H423 HydrophobicContact CD1-CB 3.84Å; Y409-H423 AromaticContact CD2-ND1 3.9Å; Y409-H423 HydrophobicContact CE1-CB 3.53Å; Y409-H423 AromaticContact CE1-CG 3.78Å; Y409-H423 AromaticContact CE1-ND1 3.82Å; Y409-H423 HydrophobicContact CE2-CB 4.28Å; Y409-H423 AromaticContact CE2-CE1 3.76Å; Y409-H423 AromaticContact CE2-CG 3.94Å; Y409-H423 AromaticContact CE2-ND1 3.12Å; Y409-H423 WeakPolarHBondContact CE2-ND1 3.34Å; Y409-H423 HydrophobicContact CG-CB 4.33Å; Y409-H423 AromaticContact CZ-CE1 3.61Å; Y409-H423 AromaticContact CZ-CG 3.49Å; Y409-H423 VanDerWaalsContact CZ-CG 3.49Å; Y409-H423 AromaticContact CZ-ND1 3.07Å; Y409-H423 PolarHBondContact O-N 3.17Å; Y409-H423 PolarHBondContact OH-CE1 2.98Å; Y409-H423 PolarHBondContact OH-ND1 3Å; Y409-H423 VanDerWaalsContact OH-ND1 3.13Å
410A92.2Very high86.1Confident0 Ų062.1 Ų62.10%031%0.307CS..EExtended strand (participates in β ladder)trans-130.4139.7178.600000110.3T381 L384 T385 M388 V420 V421 I422 F442T381-A410 VanDerWaalsContact CG2-O 3.31Å; T381-A410 WeakPolarHBondContact CG2-O 3.48Å; L384-A410 HydrophobicContact CB-CB 4.09Å; T385-A410 PolarHBondContact OG1-N 3.12Å; T385-A410 VanDerWaalsContact OG1-N 3.08Å; T385-A410 PolarHBondContact OG1-O 3.21Å; M388-A410 HydrophobicContact CB-CB 4.39Å; M388-A410 HydrophobicContact SD-CB 4.06Å; A410-V420 HydrophobicContact CB-CG1 4.13Å; A410-V421 WeakPolarHBondContact CA-O 3.33Å; A410-I422 HydrophobicContact CB-CG1 4.12Å; A410-F442 HydrophobicContact CB-CZ 4.49Å
411H91.8Very high86.5Confident43 Ų4360.9 Ų60.920%0.19930%0.299CS..EExtended strand (participates in β ladder)trans-135.7161.5176.665.9-64.3000110.1T381 V421 H423T381-H411 HydrophobicContact CG2-CB 4.04Å; H411-V421 WeakPolarHBondContact CE1-CB 3.31Å; H411-V421 WeakPolarHBondContact CE1-CG1 3.4Å; H411-V421 PolarHBondContact N-O 3.07Å; H411-V421 PolarHBondContact ND1-O 3.2Å; H411-V421 VanDerWaalsContact ND1-O 3.12Å; H411-V421 PolarHBondContact O-N 3.02Å; H411-H423 AromaticContact CE1-CE1 2.99Å; H411-H423 PolarHBondContact CE1-CE1 3.22Å; H411-H423 AromaticContact CE1-ND1 3.38Å; H411-H423 PolarHBondContact CE1-ND1 3.21Å; H411-H423 AromaticContact ND1-CE1 3.5Å; H411-H423 AromaticContact ND1-ND1 3.44Å; H411-H423 PolarHBondContact ND1-ND1 3.13Å; H411-H423 AromaticContact NE2-CE1 3.94Å
412A91Very high86.9Confident30 Ų3051.1 Ų51.125%0.24826%0.262CS..EExtended strand (participates in β ladder)trans-73.7134.1173.300000109.6L384 Y415 I419L384-A412 HydrophobicContact CD1-CB 4.14Å; A412-Y415 HydrophobicContact CB-CE1 4.43Å; A412-I419 CarbonylContact C-O 3.6Å; A412-I419 WeakPolarHBondContact CA-O 2.92Å
413G84.4Confident87.4Confident46 Ų4649.3 Ų49.347%0.47423%0.234SC..EExtended strand (participates in β ladder)trans-108.7-10.1176.900000114.3I419G413-I419 PolarHBondContact N-O 2.81Å
414G84.2Confident87.7Confident21 Ų2141.2 Ų41.222%0.21620%0.204CC..EExtended strand (participates in β ladder)trans172.3162.8-178.800000111.4P418 I419G414-P418 WeakPolarHBondContact O-CA 3.48Å; G414-I419 PolarHBondContact O-N 2.81Å
415Y83.4Confident87.7Confident97 Ų9738.7 Ų38.738%0.3820%0.2SC..THydrogen-bonded Turntrans-121.2148.4178.6-58.2-72.8000109.3R377 R378 A412 P417R377-Y415 WeakPolarHBondContact O-CE1 3.3Å; R378-Y415 HydrophobicContact CB-CE1 4.35Å; R378-Y415 HydrophobicContact CG-CE1 4.2Å; R378-Y415 HydrophobicContact CG-CE2 4.13Å; A412-Y415 HydrophobicContact CB-CE1 4.43Å; Y415-P417 CarbonylContact C-O 3.58Å; Y415-P417 VanDerWaalsContact C-O 3.29Å
416N80.2Confident87.4Confident20 Ų2040.3 Ų40.311%0.10721%0.207CC..THydrogen-bonded Turntrans48.871.5-176.8-176.842.8000115.5N286 R314 S375 T376N286-N416 PolarHBondContact ND2-ND2 2.82Å; R314-N416 PolarHBondContact NH1-O 2.97Å; S375-N416 PolarHBondContact O-N 3.06Å; T376-N416 HydrophobicContact CG2-CB 4.31Å
417P80.7Confident87.1Confident9 Ų933.7 Ų33.76%0.05818%0.178CC..THydrogen-bonded Turncis-79.61555.325.6-31.2000113.5G313 Y415 I419 R454G313-P417 WeakPolarHBondContact O-CB 3.2Å; G313-P417 VanDerWaalsContact O-CD 3.29Å; G313-P417 WeakPolarHBondContact O-CD 3.46Å; G313-P417 WeakPolarHBondContact O-CG 3.4Å; Y415-P417 CarbonylContact C-O 3.58Å; Y415-P417 VanDerWaalsContact C-O 3.29Å; P417-I419 PolarHBondContact O-N 2.94Å; P417-I419 VanDerWaalsContact O-N 3.13Å; P417-R454 HydrophobicContact CB-CG 4.46Å; P417-R454 HydrophobicContact CG-CG 4.29Å
418P85.2Confident86.6Confident16 Ų1639.6 Ų39.610%0.10420%0.203CC..THydrogen-bonded Turntrans-63.2113.7169.325.8-31.9000110.5G414 S451 I453 R454G414-P418 WeakPolarHBondContact O-CA 3.48Å; P418-S451 WeakPolarHBondContact CD-OG 3.33Å; P418-I453 HydrophobicContact CG-CG1 4.08Å; P418-R454 PolarHBondContact O-N 2.82Å
419I88.1Confident86.3Confident27 Ų2736.4 Ų36.414%0.13819%0.192CC..EExtended strand (participates in β ladder)trans-102.3120.2177.4-63.3162.6000108.7A412 G413 G414 P417 V421 R454 Q456A412-I419 CarbonylContact C-O 3.6Å; A412-I419 WeakPolarHBondContact CA-O 2.92Å; G413-I419 PolarHBondContact N-O 2.81Å; G414-I419 PolarHBondContact O-N 2.81Å; P417-I419 PolarHBondContact O-N 2.94Å; P417-I419 VanDerWaalsContact O-N 3.13Å; I419-V421 HydrophobicContact CG2-CG2 3.97Å; I419-R454 CarbonylContact C-O 3.57Å; I419-R454 WeakPolarHBondContact CA-O 3.44Å; I419-R454 HydrophobicContact CG1-CB 3.99Å; I419-Q456 HydrophobicContact CG2-CB 4.41Å; I419-Q456 HydrophobicContact CG2-CG 3.87Å
420V89.4Confident85.9Confident5 Ų531.7 Ų31.73%0.0317%0.174CC..EExtended strand (participates in β ladder)trans-101.8115.4172.3-178.50000108.8L384 A410 I422 F442 I453 R454 I455 Q456L384-V420 HydrophobicContact CD2-CG1 4.34Å; L384-V420 HydrophobicContact CD2-CG2 3.97Å; A410-V420 HydrophobicContact CB-CG1 4.13Å; V420-I422 HydrophobicContact CG1-CG1 4.18Å; V420-F442 HydrophobicContact CG1-CD1 4.45Å; V420-F442 HydrophobicContact CG1-CE1 3.98Å; V420-F442 HydrophobicContact CG1-CE2 4.36Å; V420-F442 HydrophobicContact CG1-CZ 3.93Å; V420-F442 HydrophobicContact CG2-CD1 4.44Å; V420-I453 HydrophobicContact CG2-CG2 4.04Å; V420-R454 PolarHBondContact N-O 3.02Å; V420-I455 HydrophobicContact CB-CG1 4.48Å; V420-I455 VanDerWaalsContact O-CA 3.31Å; V420-I455 WeakPolarHBondContact O-CA 3.1Å; V420-Q456 PolarHBondContact O-N 2.83Å
421V90.7Very high85.6Confident1 Ų134.1 Ų34.11%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-98.2113.3179.4-174.30000109.4A410 H411 I419 Q456 K458A410-V421 WeakPolarHBondContact CA-O 3.33Å; H411-V421 WeakPolarHBondContact CE1-CB 3.31Å; H411-V421 WeakPolarHBondContact CE1-CG1 3.4Å; H411-V421 PolarHBondContact N-O 3.07Å; H411-V421 PolarHBondContact ND1-O 3.2Å; H411-V421 VanDerWaalsContact ND1-O 3.12Å; H411-V421 PolarHBondContact O-N 3.02Å; I419-V421 HydrophobicContact CG2-CG2 3.97Å; V421-Q456 CarbonylContact C-O 3.49Å; V421-Q456 WeakPolarHBondContact CA-O 3.49Å; V421-Q456 HydrophobicContact CG1-CB 4.47Å; V421-Q456 HydrophobicContact CG2-CB 4.2Å; V421-K458 HydrophobicContact CG1-CB 4.21Å; V421-K458 HydrophobicContact CG1-CD 3.62Å; V421-K458 HydrophobicContact CG1-CG 3.69Å
422I90.8Very high85.3Confident0 Ų036.2 Ų36.20%020%0.202CC..EExtended strand (participates in β ladder)trans-99.3121.3-178.9-58.2179.1000109.5M388 L407 A410 V420 L438 F442 I455 Q456 F457 K458M388-I422 HydrophobicContact SD-CG2 3.76Å; L407-I422 HydrophobicContact CB-CG2 4.21Å; L407-I422 HydrophobicContact CD1-CG2 4.33Å; L407-I422 HydrophobicContact CD2-CG2 3.92Å; L407-I422 HydrophobicContact CG-CG2 4.37Å; A410-I422 HydrophobicContact CB-CG1 4.12Å; V420-I422 HydrophobicContact CG1-CG1 4.18Å; I422-L438 HydrophobicContact CD1-CD1 4.04Å; I422-F442 HydrophobicContact CD1-CE2 3.87Å; I422-F442 HydrophobicContact CD1-CZ 4.37Å; I422-I455 HydrophobicContact CD1-CD1 4.38Å; I422-I455 HydrophobicContact CD1-CG2 3.58Å; I422-I455 HydrophobicContact CG1-CG2 3.99Å; I422-Q456 PolarHBondContact N-O 3.4Å; I422-F457 HydrophobicContact CB-CD1 4.06Å; I422-F457 HydrophobicContact CB-CE1 4.2Å; I422-F457 HydrophobicContact CD1-CE1 4.05Å; I422-F457 HydrophobicContact CG2-CD1 4.39Å; I422-F457 HydrophobicContact CG2-CE1 4.44Å; I422-F457 WeakPolarHBondContact O-CA 3.35Å; I422-K458 PolarHBondContact O-N 3.37Å
423H90.8Very high85.1Confident33 Ų3338.9 Ų38.915%0.15322%0.219CC..EExtended strand (participates in β ladder)trans-93.1138.3174-73.6105.9000111.3K408 Y409 H411 K458K408-H423 PolarHBondContact N-O 3.4Å; Y409-H423 HydrophobicContact CD1-CB 3.84Å; Y409-H423 AromaticContact CD2-ND1 3.9Å; Y409-H423 HydrophobicContact CE1-CB 3.53Å; Y409-H423 AromaticContact CE1-CG 3.78Å; Y409-H423 AromaticContact CE1-ND1 3.82Å; Y409-H423 HydrophobicContact CE2-CB 4.28Å; Y409-H423 AromaticContact CE2-CE1 3.76Å; Y409-H423 AromaticContact CE2-CG 3.94Å; Y409-H423 AromaticContact CE2-ND1 3.12Å; Y409-H423 WeakPolarHBondContact CE2-ND1 3.34Å; Y409-H423 HydrophobicContact CG-CB 4.33Å; Y409-H423 AromaticContact CZ-CE1 3.61Å; Y409-H423 AromaticContact CZ-CG 3.49Å; Y409-H423 VanDerWaalsContact CZ-CG 3.49Å; Y409-H423 AromaticContact CZ-ND1 3.07Å; Y409-H423 PolarHBondContact O-N 3.17Å; Y409-H423 PolarHBondContact OH-CE1 2.98Å; Y409-H423 PolarHBondContact OH-ND1 3Å; Y409-H423 VanDerWaalsContact OH-ND1 3.13Å; H411-H423 AromaticContact CE1-CE1 2.99Å; H411-H423 PolarHBondContact CE1-CE1 3.22Å; H411-H423 AromaticContact CE1-ND1 3.38Å; H411-H423 PolarHBondContact CE1-ND1 3.21Å; H411-H423 AromaticContact ND1-CE1 3.5Å; H411-H423 AromaticContact ND1-ND1 3.44Å; H411-H423 PolarHBondContact ND1-ND1 3.13Å; H411-H423 AromaticContact NE2-CE1 3.94Å; H423-K458 WeakPolarHBondContact CA-O 3.36Å; H423-K458 VanDerWaalsContact CD2-CB 3.41Å; H423-K458 WeakPolarHBondContact CD2-CB 3.45Å
424G87.7Confident85.3Confident2 Ų237 Ų372%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-170.9-172.8176.700000114.1K406 V427 K458K406-G424 CarbonylContact O-C 3.54Å; K406-G424 WeakPolarHBondContact O-CA 3.24Å; G424-V427 VanDerWaalsContact CA-CG1 3.5Å; G424-K458 PolarHBondContact N-O 2.97Å
425N85.6Confident85.5Confident69 Ų6937.7 Ų37.737%0.36920%0.195SC..EExtended strand (participates in β ladder)trans-105.5133.9173-63.5-11.2000108.8V405 K406 K408 V427V405-N425 WeakPolarHBondContact CG1-O 3.42Å; K406-N425 PolarHBondContact N-O 2.99Å; K406-N425 PolarHBondContact O-N 3.15Å; K408-N425 WeakPolarHBondContact CE-OD1 3.31Å; K408-N425 PolarHBondContact NZ-OD1 2.71Å; N425-V427 PolarHBondContact O-N 3.26Å
426Q80.9Confident85.5Confident36 Ų3638.3 Ų38.317%0.16820%0.196CC..SBendtrans5928.7-178.2-55.9-176.4-37.600113.9V405 K428 D429 E459V405-Q426 HydrophobicContact CG2-CB 4.37Å; Q426-K428 VanDerWaalsContact C-N 3.26Å; Q426-K428 PolarHBondContact O-N 2.73Å; Q426-D429 PolarHBondContact O-N 3.45Å; Q426-E459 WeakPolarHBondContact CA-OE1 3.19Å; Q426-E459 PolarHBondContact N-OE1 3.03Å
427V80.6Confident86Confident0 Ų040.1 Ų40.10%020%0.202CC..G310 helixtrans-69-25.8-179-690000112.7V405 L407 G424 N425 D429 L430 F457 E459V405-V427 HydrophobicContact CG1-CG1 4.2Å; L407-V427 HydrophobicContact CD2-CG1 3.69Å; G424-V427 VanDerWaalsContact CA-CG1 3.5Å; N425-V427 PolarHBondContact O-N 3.26Å; V427-D429 PolarHBondContact O-N 3.38Å; V427-L430 HydrophobicContact CB-CD1 4.34Å; V427-L430 WeakPolarHBondContact O-CB 3.28Å; V427-L430 PolarHBondContact O-N 2.94Å; V427-F457 HydrophobicContact CB-CB 3.91Å; V427-F457 HydrophobicContact CB-CD1 3.94Å; V427-F457 HydrophobicContact CB-CG 4.25Å; V427-F457 HydrophobicContact CG1-CD1 4.38Å; V427-F457 HydrophobicContact CG2-CB 3.84Å; V427-E459 HydrophobicContact CG2-CB 3.84Å
428K79.7Confident86.4Confident151 Ų15139.7 Ų39.766%0.65720%0.199SC*.G310 helixtrans-65.1-27.9174.8-64.3-173.3177.7-171.80112.9Q426 L430 E459Q426-K428 VanDerWaalsContact C-N 3.26Å; Q426-K428 PolarHBondContact O-N 2.73Å; K428-L430 VanDerWaalsContact C-N 3.3Å; K428-L430 PolarHBondContact O-N 3.49Å; K428-E459 HydrophobicContact CG-CB 4.49Å
429D81.8Confident86.5Confident55 Ų5541 Ų4129%0.29420%0.204SC..G310 helixtrans-87.23.8-177.7-70.7-32.8000112.7V400 R401 Q426 V427V400-D429 HydrophobicContact CB-CB 4.3Å; V400-D429 HydrophobicContact CG1-CB 3.71Å; R401-D429 IonicContact NH1-OD2 3.91Å; Q426-D429 PolarHBondContact O-N 3.45Å; V427-D429 PolarHBondContact O-N 3.38Å
430L84.6Confident86.4Confident5 Ų543.2 Ų43.23%0.02622%0.217CC..  trans-65.9131.1178.7-81.4166.2000111.7P397 V405 L407 V427 K428 Y434 K435 F457P397-L430 HydrophobicContact CB-CD2 4.48Å; V405-L430 HydrophobicContact CB-CD2 3.96Å; V405-L430 HydrophobicContact CB-CG 4.42Å; V405-L430 HydrophobicContact CG1-CD1 4.08Å; V405-L430 HydrophobicContact CG1-CD2 3.83Å; V405-L430 HydrophobicContact CG1-CG 3.85Å; V405-L430 HydrophobicContact CG2-CD2 3.91Å; V405-L430 HydrophobicContact CG2-CG 4.23Å; L407-L430 HydrophobicContact CD2-CD1 4.13Å; V427-L430 HydrophobicContact CB-CD1 4.34Å; V427-L430 WeakPolarHBondContact O-CB 3.28Å; V427-L430 PolarHBondContact O-N 2.94Å; K428-L430 VanDerWaalsContact C-N 3.3Å; K428-L430 PolarHBondContact O-N 3.49Å; L430-Y434 HydrophobicContact CD2-CD1 3.79Å; L430-Y434 HydrophobicContact CD2-CE1 4.38Å; L430-Y434 HydrophobicContact CD2-CG 4.3Å; L430-K435 HydrophobicContact CB-CG 4.48Å; L430-K435 VanDerWaalsContact O-CE 3.27Å; L430-K435 WeakPolarHBondContact O-CE 3.47Å; L430-F457 HydrophobicContact CD1-CD1 3.98Å; L430-F457 HydrophobicContact CD1-CE1 3.61Å; L430-F457 HydrophobicContact CD1-CZ 4.1Å
431P86.5Confident86.4Confident50 Ų5044.7 Ų44.733%0.32522%0.222SC..  trans-61.3145.9172.3-23.534.9000112.3P398 S433 Y434 K435P398-P431 HydrophobicContact CG-CG 3.75Å; P431-S433 PolarHBondContact O-N 3.01Å; P431-Y434 WeakPolarHBondContact O-CB 3.48Å; P431-Y434 PolarHBondContact O-N 2.94Å; P431-K435 PolarHBondContact O-N 3.39Å
432D83.9Confident86.4Confident87 Ų8744.7 Ų44.747%0.46522%0.222SC..Hα-helixtrans-63.7-27.4-178-59.7-41.5000113.2Y434 K435 R436D432-Y434 VanDerWaalsContact C-N 3.31Å; D432-Y434 PolarHBondContact O-N 3.14Å; D432-K435 WeakPolarHBondContact O-CB 3.45Å; D432-K435 PolarHBondContact O-N 3.3Å; D432-K435 IonicContact OD1-NZ 3.81Å; D432-K435 PolarHBondContact OD1-NZ 3.38Å; D432-R436 WeakPolarHBondContact O-CG 3.4Å; D432-R436 PolarHBondContact O-N 3.44Å
433S87.1Confident86.1Confident87 Ų8746.2 Ų46.261%0.60823%0.227SC*.Hα-helixtrans-59-41.4171.356.10000112.3P431 R436 Y437P431-S433 PolarHBondContact O-N 3.01Å; S433-R436 PolarHBondContact O-N 2.94Å; S433-Y437 PolarHBondContact O-N 3.08Å
434Y89.3Confident85.9Confident6 Ų652.3 Ų52.32%0.02425%0.254CS..Hα-helixtrans-72.8-34.6177.9-161.9-91.4000111.4H395 P397 L407 L430 P431 D432 Y437 L438H395-Y434 AromaticContact CD2-CE2 3.84Å; H395-Y434 WeakPolarHBondContact O-CE2 3.13Å; H395-Y434 PolarHBondContact O-OH 3.44Å; P397-Y434 HydrophobicContact CB-CE1 4.28Å; P397-Y434 HydrophobicContact CB-CE2 4.41Å; P397-Y434 WeakPolarHBondContact CD-OH 3.47Å; P397-Y434 HydrophobicContact CG-CE1 4.11Å; P397-Y434 HydrophobicContact CG-CE2 4.49Å; P397-Y434 WeakPolarHBondContact CG-OH 3.49Å; L407-Y434 HydrophobicContact CD1-CE1 4.49Å; L430-Y434 HydrophobicContact CD2-CD1 3.79Å; L430-Y434 HydrophobicContact CD2-CE1 4.38Å; L430-Y434 HydrophobicContact CD2-CG 4.3Å; P431-Y434 WeakPolarHBondContact O-CB 3.48Å; P431-Y434 PolarHBondContact O-N 2.94Å; D432-Y434 VanDerWaalsContact C-N 3.31Å; D432-Y434 PolarHBondContact O-N 3.14Å; Y434-Y437 HydrophobicContact CD2-CD1 4.35Å; Y434-Y437 HydrophobicContact CE2-CD1 4.05Å; Y434-Y437 HydrophobicContact CE2-CE1 4.36Å; Y434-Y437 WeakPolarHBondContact O-CB 3.21Å; Y434-Y437 PolarHBondContact O-N 3.01Å; Y434-L438 HydrophobicContact CD1-CD1 3.9Å; Y434-L438 HydrophobicContact CD1-CG 4.04Å; Y434-L438 HydrophobicContact CE1-CD1 3.76Å; Y434-L438 HydrophobicContact CE1-CD2 4.04Å; Y434-L438 HydrophobicContact CE1-CG 3.81Å; Y434-L438 WeakPolarHBondContact O-CG 3.37Å; Y434-L438 PolarHBondContact O-N 3.4Å
435K87.7Confident86Confident35 Ų3555.1 Ų55.115%0.15227%0.273CS..Hα-helixtrans-60.9-45.6171.9-57.4-178.5-171.7154.80111L29 L430 P431 D432 Y437 L438 M439 F457L29-K435 HydrophobicContact CD2-CD 4Å; L430-K435 HydrophobicContact CB-CG 4.48Å; L430-K435 VanDerWaalsContact O-CE 3.27Å; L430-K435 WeakPolarHBondContact O-CE 3.47Å; P431-K435 PolarHBondContact O-N 3.39Å; D432-K435 WeakPolarHBondContact O-CB 3.45Å; D432-K435 PolarHBondContact O-N 3.3Å; D432-K435 IonicContact OD1-NZ 3.81Å; D432-K435 PolarHBondContact OD1-NZ 3.38Å; K435-Y437 PolarHBondContact O-N 2.91Å; K435-L438 PolarHBondContact O-N 2.98Å; K435-M439 WeakPolarHBondContact O-CG 3.39Å; K435-M439 PolarHBondContact O-N 2.96Å; K435-F457 HydrophobicContact CB-CE2 4.26Å; K435-F457 HydrophobicContact CB-CZ 4.44Å; K435-F457 HydrophobicContact CD-CD2 4.43Å; K435-F457 HydrophobicContact CD-CE2 3.76Å; K435-F457 HydrophobicContact CG-CE2 3.61Å; K435-F457 HydrophobicContact CG-CZ 3.91Å
436R84Confident86Confident110 Ų11052.8 Ų52.842%0.41526%0.26SS..Hα-helixtrans-60.1-42.4174.8-70.6173.2-175-177-2.6112.6D32 D432 S433 M439 N440D32-R436 PolarHBondContact O-NH2 3.08Å; D432-R436 WeakPolarHBondContact O-CG 3.4Å; D432-R436 PolarHBondContact O-N 3.44Å; S433-R436 PolarHBondContact O-N 2.94Å; R436-M439 HydrophobicContact CB-CE 4.26Å; R436-M439 HydrophobicContact CG-CE 3.86Å; R436-M439 PolarHBondContact O-N 2.87Å; R436-N440 PolarHBondContact O-N 3.12Å
437Y90Very high86.2Confident58 Ų5856.7 Ų56.723%0.22728%0.282CS..Hα-helixtrans-57.1-51.5173.3164.8-104.8000111.7A391 H395 S433 Y434 K435 M439 N440 Y441A391-Y437 HydrophobicContact CB-CE1 4.21Å; A391-Y437 WeakPolarHBondContact O-CE1 3.43Å; A391-Y437 PolarHBondContact O-OH 2.99Å; H395-Y437 HydrophobicContact CB-CD1 4.45Å; H395-Y437 HydrophobicContact CB-CE1 3.74Å; H395-Y437 HydrophobicContact CB-CE2 4.04Å; H395-Y437 WeakPolarHBondContact CB-OH 3.46Å; S433-Y437 PolarHBondContact O-N 3.08Å; Y434-Y437 HydrophobicContact CD2-CD1 4.35Å; Y434-Y437 HydrophobicContact CE2-CD1 4.05Å; Y434-Y437 HydrophobicContact CE2-CE1 4.36Å; Y434-Y437 WeakPolarHBondContact O-CB 3.21Å; Y434-Y437 PolarHBondContact O-N 3.01Å; K435-Y437 PolarHBondContact O-N 2.91Å; Y437-M439 PolarHBondContact O-N 2.94Å; Y437-N440 PolarHBondContact O-N 3.47Å; Y437-Y441 HydrophobicContact CE2-CD2 4.13Å; Y437-Y441 AromaticContact CZ-CD2 3.97Å; Y437-Y441 WeakPolarHBondContact O-CB 3.27Å; Y437-Y441 PolarHBondContact O-N 3.15Å
438L89.6Confident86.3Confident0 Ų057.2 Ų57.20%029%0.285CS..Hα-helixtrans-59.7-46.2178.3-70.1175.6000111.5A391 L407 I422 Y434 K435 N440 Y441 F442 I455 F457A391-L438 HydrophobicContact CB-CD2 3.96Å; L407-L438 HydrophobicContact CD1-CD1 4.1Å; I422-L438 HydrophobicContact CD1-CD1 4.04Å; Y434-L438 HydrophobicContact CD1-CD1 3.9Å; Y434-L438 HydrophobicContact CD1-CG 4.04Å; Y434-L438 HydrophobicContact CE1-CD1 3.76Å; Y434-L438 HydrophobicContact CE1-CD2 4.04Å; Y434-L438 HydrophobicContact CE1-CG 3.81Å; Y434-L438 WeakPolarHBondContact O-CG 3.37Å; Y434-L438 PolarHBondContact O-N 3.4Å; K435-L438 PolarHBondContact O-N 2.98Å; L438-N440 VanDerWaalsContact C-N 3.35Å; L438-N440 PolarHBondContact O-N 2.68Å; L438-Y441 PolarHBondContact O-N 3.15Å; L438-Y441 VanDerWaalsContact O-N 3.15Å; L438-F442 VanDerWaalsContact O-CD2 3.24Å; L438-F442 WeakPolarHBondContact O-CD2 3.3Å; L438-F442 PolarHBondContact O-N 3.38Å; L438-I455 HydrophobicContact CB-CD1 3.61Å; L438-F457 HydrophobicContact CD1-CE1 4.07Å; L438-F457 HydrophobicContact CD1-CZ 4.06Å
439M87.8Confident86.4Confident43 Ų4351.4 Ų51.421%0.21226%0.261CS..Hα-helixtrans-55.7-49.1178.1-71.1-173.6-54.200111.6K435 R436 Y437 Y441 F442 R443 I455K435-M439 WeakPolarHBondContact O-CG 3.39Å; K435-M439 PolarHBondContact O-N 2.96Å; R436-M439 HydrophobicContact CB-CE 4.26Å; R436-M439 HydrophobicContact CG-CE 3.86Å; R436-M439 PolarHBondContact O-N 2.87Å; Y437-M439 PolarHBondContact O-N 2.94Å; M439-Y441 VanDerWaalsContact C-N 3.32Å; M439-Y441 PolarHBondContact O-N 3.13Å; M439-F442 PolarHBondContact O-N 3.44Å; M439-R443 VanDerWaalsContact O-CB 3.29Å; M439-R443 WeakPolarHBondContact O-CB 3.49Å; M439-R443 PolarHBondContact O-N 3.35Å; M439-I455 HydrophobicContact CB-CD1 4.22Å; M439-I455 HydrophobicContact CG-CB 4.33Å; M439-I455 HydrophobicContact CG-CD1 3.6Å; M439-I455 HydrophobicContact CG-CG1 3.82Å
440N85.4Confident86.3Confident74 Ų7448.9 Ų48.940%0.39625%0.248SC..Hα-helixtrans-66.5-33.7178.9-74.5-14.3000112.7R436 Y437 L438 K444R436-N440 PolarHBondContact O-N 3.12Å; Y437-N440 PolarHBondContact O-N 3.47Å; L438-N440 VanDerWaalsContact C-N 3.35Å; L438-N440 PolarHBondContact O-N 2.68Å; N440-K444 WeakPolarHBondContact O-CG 3.36Å; N440-K444 PolarHBondContact O-N 3.39Å; N440-K444 VanDerWaalsContact O-N 3.08Å
441Y90.5Very high86.3Confident37 Ų3748.6 Ų48.615%0.14525%0.246CC..Hα-helixtrans-67.1-51.9176.7-162.1-80.7000111.1I387 M390 A391 D394 Y437 L438 M439 R443 K444 S445I387-Y441 HydrophobicContact CG2-CD1 3.78Å; I387-Y441 HydrophobicContact CG2-CE1 3.95Å; M390-Y441 HydrophobicContact CB-CE1 4.32Å; M390-Y441 VanDerWaalsContact CB-OH 3.3Å; M390-Y441 WeakPolarHBondContact CB-OH 3.41Å; A391-Y441 HydrophobicContact CB-CD1 3.56Å; A391-Y441 HydrophobicContact CB-CD2 4.03Å; A391-Y441 HydrophobicContact CB-CE1 3.74Å; A391-Y441 HydrophobicContact CB-CE2 4.2Å; A391-Y441 HydrophobicContact CB-CG 3.69Å; D394-Y441 HydrophobicContact CB-CE2 4.45Å; D394-Y441 WeakPolarHBondContact OD2-CE2 3.5Å; D394-Y441 PolarHBondContact OD2-OH 3.49Å; Y437-Y441 HydrophobicContact CE2-CD2 4.13Å; Y437-Y441 AromaticContact CZ-CD2 3.97Å; Y437-Y441 WeakPolarHBondContact O-CB 3.27Å; Y437-Y441 PolarHBondContact O-N 3.15Å; L438-Y441 PolarHBondContact O-N 3.15Å; L438-Y441 VanDerWaalsContact O-N 3.15Å; M439-Y441 VanDerWaalsContact C-N 3.32Å; M439-Y441 PolarHBondContact O-N 3.13Å; Y441-R443 VanDerWaalsContact C-N 3.25Å; Y441-R443 PolarHBondContact O-N 3.32Å; Y441-K444 PolarHBondContact O-N 3.01Å; Y441-S445 WeakPolarHBondContact CE1-OG 3.31Å; Y441-S445 WeakPolarHBondContact O-CB 3.4Å; Y441-S445 PolarHBondContact O-N 3.19Å; Y441-S445 PolarHBondContact O-OG 3.03Å; Y441-S445 VanDerWaalsContact O-OG 3.12Å
442F89.3Confident86.1Confident0 Ų047.2 Ų47.20%024%0.237CC..Hα-helixtrans-56.9-41.3174.9-83.9-76.2000111.7L384 I387 M388 A410 V420 I422 L438 M439 S445 L446 I453 I455L384-F442 HydrophobicContact CB-CE1 4.44Å; L384-F442 HydrophobicContact CD2-CD1 4.15Å; L384-F442 HydrophobicContact CD2-CE1 3.97Å; I387-F442 HydrophobicContact CB-CD1 4.23Å; I387-F442 HydrophobicContact CB-CE1 3.95Å; I387-F442 HydrophobicContact CG2-CD1 3.57Å; I387-F442 HydrophobicContact CG2-CE1 3.69Å; I387-F442 HydrophobicContact CG2-CG 4.17Å; I387-F442 HydrophobicContact CG2-CZ 4.36Å; M388-F442 HydrophobicContact CB-CZ 3.88Å; A410-F442 HydrophobicContact CB-CZ 4.49Å; V420-F442 HydrophobicContact CG1-CD1 4.45Å; V420-F442 HydrophobicContact CG1-CE1 3.98Å; V420-F442 HydrophobicContact CG1-CE2 4.36Å; V420-F442 HydrophobicContact CG1-CZ 3.93Å; V420-F442 HydrophobicContact CG2-CD1 4.44Å; I422-F442 HydrophobicContact CD1-CE2 3.87Å; I422-F442 HydrophobicContact CD1-CZ 4.37Å; L438-F442 VanDerWaalsContact O-CD2 3.24Å; L438-F442 WeakPolarHBondContact O-CD2 3.3Å; L438-F442 PolarHBondContact O-N 3.38Å; M439-F442 PolarHBondContact O-N 3.44Å; F442-S445 PolarHBondContact O-N 3.07Å; F442-L446 HydrophobicContact CD1-CD1 4.37Å; F442-L446 VanDerWaalsContact O-CB 3.28Å; F442-L446 WeakPolarHBondContact O-CB 3.28Å; F442-L446 WeakPolarHBondContact O-CG 3.32Å; F442-L446 PolarHBondContact O-N 2.93Å; F442-I453 HydrophobicContact CB-CD1 4.11Å; F442-I455 HydrophobicContact CD2-CD1 3.81Å; F442-I455 HydrophobicContact CE2-CD1 4.27Å
443R85.8Confident86.1Confident32 Ų3243.7 Ų43.712%0.12122%0.218CC..Hα-helixtrans-57.8-50.7177.5-171.7-175.881.91773.9112D346 M439 Y441 D447 V448 I453D346-R443 IonicContact OD2-CZ 3.96Å; D346-R443 IonicContact OD2-NH1 2.67Å; D346-R443 IonicContact OD2-NH2 2.59Å; D346-R443 PolarHBondContact OD2-NH2 3.05Å; M439-R443 VanDerWaalsContact O-CB 3.29Å; M439-R443 WeakPolarHBondContact O-CB 3.49Å; M439-R443 PolarHBondContact O-N 3.35Å; Y441-R443 VanDerWaalsContact C-N 3.25Å; Y441-R443 PolarHBondContact O-N 3.32Å; R443-D447 PolarHBondContact O-N 3.24Å; R443-D447 VanDerWaalsContact O-N 3.15Å; R443-V448 PolarHBondContact O-N 3.37Å; R443-I453 VanDerWaalsContact CA-CD1 3.46Å; R443-I453 HydrophobicContact CB-CD1 4.05Å
444K86.2Confident86Confident162 Ų16242.6 Ų42.670%0.70420%0.201SC*.Hα-helixtrans-67.3-39.9179.3-71.9179.5179.6-174.20112.5N440 Y441N440-K444 WeakPolarHBondContact O-CG 3.36Å; N440-K444 PolarHBondContact O-N 3.39Å; N440-K444 VanDerWaalsContact O-N 3.08Å; Y441-K444 PolarHBondContact O-N 3.01Å
445S89Confident85.9Confident60 Ų6042.5 Ų42.542%0.4220%0.2SC..Hα-helixtrans-73.4-30.8-178.1-60.70000113.6Y441 F442Y441-S445 WeakPolarHBondContact CE1-OG 3.31Å; Y441-S445 WeakPolarHBondContact O-CB 3.4Å; Y441-S445 PolarHBondContact O-N 3.19Å; Y441-S445 PolarHBondContact O-OG 3.03Å; Y441-S445 VanDerWaalsContact O-OG 3.12Å; F442-S445 PolarHBondContact O-N 3.07Å
446L85.9Confident85.9Confident21 Ų2145.1 Ų45.111%0.1121%0.213CC..Hα-helixtrans-91.6-4.8178.4-66.3174.1000113.3V379 M383 L384 I387 F442 V448 I453V379-L446 HydrophobicContact CG1-CD2 3.86Å; V379-L446 HydrophobicContact CG2-CD2 4.15Å; M383-L446 HydrophobicContact SD-CD2 4.25Å; L384-L446 HydrophobicContact CD2-CD1 4Å; I387-L446 HydrophobicContact CD1-CD2 3.55Å; I387-L446 HydrophobicContact CD1-CG 3.94Å; F442-L446 HydrophobicContact CD1-CD1 4.37Å; F442-L446 VanDerWaalsContact O-CB 3.28Å; F442-L446 WeakPolarHBondContact O-CB 3.28Å; F442-L446 WeakPolarHBondContact O-CG 3.32Å; F442-L446 PolarHBondContact O-N 2.93Å; L446-V448 HydrophobicContact CB-CG2 3.66Å; L446-V448 PolarHBondContact O-N 3.34Å; L446-I453 HydrophobicContact CD1-CD1 4.19Å
447D84.9Confident86.1Confident118 Ų11841.7 Ų41.763%0.63120%0.201SC*.THydrogen-bonded Turntrans5240.5-175.8-158.230.2000112.5R443 M449R443-D447 PolarHBondContact O-N 3.24Å; R443-D447 VanDerWaalsContact O-N 3.15Å; D447-M449 PolarHBondContact O-N 2.91Å
448V82.3Confident85.8Confident10 Ų1043.7 Ų43.76%0.06121%0.212CC..  trans-77.4108.7-177.8177.30000108.8R443 L446 S451 I453R443-V448 PolarHBondContact O-N 3.37Å; L446-V448 HydrophobicContact CB-CG2 3.66Å; L446-V448 PolarHBondContact O-N 3.34Å; V448-S451 WeakPolarHBondContact CG1-O 3.32Å; V448-I453 HydrophobicContact CB-CD1 4.11Å; V448-I453 HydrophobicContact CB-CG1 4.3Å; V448-I453 HydrophobicContact CG1-CG1 4.23Å; V448-I453 HydrophobicContact CG2-CD1 3.86Å; V448-I453 HydrophobicContact CG2-CG1 4.29Å
449M82.8Confident85.5Confident30 Ų3047.5 Ų47.515%0.14823%0.229CC..  trans-100.8143.8174.6-64.1-55.5-64.600110.4E370 S374 D447 S451E370-M449 HydrophobicContact CG-CB 4.3Å; S374-M449 VanDerWaalsContact CB-O 3.29Å; S374-M449 WeakPolarHBondContact CB-O 3.12Å; D447-M449 PolarHBondContact O-N 2.91Å; M449-S451 PolarHBondContact O-N 3.21Å
450G79.6Confident84.6Confident1 Ų147.7 Ų47.71%0.0124%0.242CC..SBendtrans74.3-22.3176.700000116S315 L316 F347S315-G450 CarbonylContact C-O 3.56Å; S315-G450 VanDerWaalsContact CA-O 3.31Å; S315-G450 WeakPolarHBondContact CA-O 3.39Å; L316-G450 PolarHBondContact N-O 3.01Å; F347-G450 WeakPolarHBondContact O-CA 3.36Å; F347-G450 PolarHBondContact O-N 2.75Å
451S83.8Confident83.8Confident0 Ų053.2 Ų53.20%027%0.266CS..SBendtrans-112.3136-175.9-1580000113.6S315 S375 P418 V448 M449S315-S451 WeakPolarHBondContact OG-CB 3.43Å; S315-S451 PolarHBondContact OG-OG 2.79Å; S375-S451 WeakPolarHBondContact CB-OG 3.39Å; P418-S451 WeakPolarHBondContact CD-OG 3.33Å; V448-S451 WeakPolarHBondContact CG1-O 3.32Å; M449-S451 PolarHBondContact O-N 3.21Å
452P83.3Confident82.6Confident20 Ų2056.3 Ų56.313%0.1329%0.285CS..PPolyproline II helixtrans-74.5133.3171.630.4-32.9000111.3R314 F347R314-P452 WeakPolarHBondContact O-CD 3.44Å; F347-P452 HydrophobicContact CE2-CB 4.43Å; F347-P452 HydrophobicContact CZ-CB 4.1Å
453I84.9Confident81.4Confident13 Ų1361.1 Ų61.17%0.06732%0.316CS..PPolyproline II helixtrans-85.6127.5171.8-60.1-177.1000109.9P418 V420 F442 R443 L446 V448P418-I453 HydrophobicContact CG-CG1 4.08Å; V420-I453 HydrophobicContact CG2-CG2 4.04Å; F442-I453 HydrophobicContact CB-CD1 4.11Å; R443-I453 VanDerWaalsContact CA-CD1 3.46Å; R443-I453 HydrophobicContact CB-CD1 4.05Å; L446-I453 HydrophobicContact CD1-CD1 4.19Å; V448-I453 HydrophobicContact CB-CD1 4.11Å; V448-I453 HydrophobicContact CB-CG1 4.3Å; V448-I453 HydrophobicContact CG1-CG1 4.23Å; V448-I453 HydrophobicContact CG2-CD1 3.86Å; V448-I453 HydrophobicContact CG2-CG1 4.29Å
454R83.9Confident80.3Confident64 Ų6467.1 Ų67.124%0.24234%0.339CS..EExtended strand (participates in β ladder)trans-97.4133.3172.8-71-174.6175.7161.2-0.8110.4N311 S312 P417 P418 I419 V420N311-R454 PolarHBondContact O-NH2 3.42Å; S312-R454 PolarHBondContact O-NH2 3.17Å; P417-R454 HydrophobicContact CB-CG 4.46Å; P417-R454 HydrophobicContact CG-CG 4.29Å; P418-R454 PolarHBondContact O-N 2.82Å; I419-R454 CarbonylContact C-O 3.57Å; I419-R454 WeakPolarHBondContact CA-O 3.44Å; I419-R454 HydrophobicContact CG1-CB 3.99Å; V420-R454 PolarHBondContact N-O 3.02Å
455I87.2Confident79.1Confident4 Ų462.8 Ų62.82%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-109.7122.2172.3-62.8-179.6000109.3L29 V420 I422 L438 M439 F442 F457L29-I455 WeakPolarHBondContact CD1-O 3.34Å; V420-I455 HydrophobicContact CB-CG1 4.48Å; V420-I455 VanDerWaalsContact O-CA 3.31Å; V420-I455 WeakPolarHBondContact O-CA 3.1Å; I422-I455 HydrophobicContact CD1-CD1 4.38Å; I422-I455 HydrophobicContact CD1-CG2 3.58Å; I422-I455 HydrophobicContact CG1-CG2 3.99Å; L438-I455 HydrophobicContact CB-CD1 3.61Å; M439-I455 HydrophobicContact CB-CD1 4.22Å; M439-I455 HydrophobicContact CG-CB 4.33Å; M439-I455 HydrophobicContact CG-CD1 3.6Å; M439-I455 HydrophobicContact CG-CG1 3.82Å; F442-I455 HydrophobicContact CD2-CD1 3.81Å; F442-I455 HydrophobicContact CE2-CD1 4.27Å; I455-F457 HydrophobicContact CB-CE2 4.46Å; I455-F457 HydrophobicContact CG2-CD1 4.44Å; I455-F457 HydrophobicContact CG2-CD2 4.28Å; I455-F457 HydrophobicContact CG2-CE1 3.89Å; I455-F457 HydrophobicContact CG2-CE2 3.68Å; I455-F457 HydrophobicContact CG2-CZ 3.47Å; I455-F457 VanDerWaalsContact CG2-CZ 3.47Å
456Q87.3Confident77.9Confident91 Ų9167.8 Ų67.843%0.42536%0.356SS..EExtended strand (participates in β ladder)trans-105.6138.6170.6-69.6-177.6-2.100109.8I419 V420 V421 I422I419-Q456 HydrophobicContact CG2-CB 4.41Å; I419-Q456 HydrophobicContact CG2-CG 3.87Å; V420-Q456 PolarHBondContact O-N 2.83Å; V421-Q456 CarbonylContact C-O 3.49Å; V421-Q456 WeakPolarHBondContact CA-O 3.49Å; V421-Q456 HydrophobicContact CG1-CB 4.47Å; V421-Q456 HydrophobicContact CG2-CB 4.2Å; I422-Q456 PolarHBondContact N-O 3.4Å
457F88.8Confident76.7Confident37 Ų3773.9 Ų73.916%0.16238%0.382CS..EExtended strand (participates in β ladder)trans-107.4119.4178.9-66.3-78.1000109.8I422 V427 L430 K435 L438 I455I422-F457 HydrophobicContact CB-CD1 4.06Å; I422-F457 HydrophobicContact CB-CE1 4.2Å; I422-F457 HydrophobicContact CD1-CE1 4.05Å; I422-F457 HydrophobicContact CG2-CD1 4.39Å; I422-F457 HydrophobicContact CG2-CE1 4.44Å; I422-F457 WeakPolarHBondContact O-CA 3.35Å; V427-F457 HydrophobicContact CB-CB 3.91Å; V427-F457 HydrophobicContact CB-CD1 3.94Å; V427-F457 HydrophobicContact CB-CG 4.25Å; V427-F457 HydrophobicContact CG1-CD1 4.38Å; V427-F457 HydrophobicContact CG2-CB 3.84Å; L430-F457 HydrophobicContact CD1-CD1 3.98Å; L430-F457 HydrophobicContact CD1-CE1 3.61Å; L430-F457 HydrophobicContact CD1-CZ 4.1Å; K435-F457 HydrophobicContact CB-CE2 4.26Å; K435-F457 HydrophobicContact CB-CZ 4.44Å; K435-F457 HydrophobicContact CD-CD2 4.43Å; K435-F457 HydrophobicContact CD-CE2 3.76Å; K435-F457 HydrophobicContact CG-CE2 3.61Å; K435-F457 HydrophobicContact CG-CZ 3.91Å; L438-F457 HydrophobicContact CD1-CE1 4.07Å; L438-F457 HydrophobicContact CD1-CZ 4.06Å; I455-F457 HydrophobicContact CB-CE2 4.46Å; I455-F457 HydrophobicContact CG2-CD1 4.44Å; I455-F457 HydrophobicContact CG2-CD2 4.28Å; I455-F457 HydrophobicContact CG2-CE1 3.89Å; I455-F457 HydrophobicContact CG2-CE2 3.68Å; I455-F457 HydrophobicContact CG2-CZ 3.47Å; I455-F457 VanDerWaalsContact CG2-CZ 3.47Å
458K84.6Confident75.4Confident101 Ų10179.4 Ų79.444%0.43939%0.394SS..EExtended strand (participates in β ladder)trans-107.8118.8173.6-73.9-171.6-175.81770109.7V421 I422 H423 G424V421-K458 HydrophobicContact CG1-CB 4.21Å; V421-K458 HydrophobicContact CG1-CD 3.62Å; V421-K458 HydrophobicContact CG1-CG 3.69Å; I422-K458 PolarHBondContact O-N 3.37Å; H423-K458 WeakPolarHBondContact CA-O 3.36Å; H423-K458 VanDerWaalsContact CD2-CB 3.41Å; H423-K458 WeakPolarHBondContact CD2-CB 3.45Å; G424-K458 PolarHBondContact N-O 2.97Å
459E82.3Confident74.5Confident80 Ų8085.6 Ų85.637%0.37443%0.427SS..EExtended strand (participates in β ladder)trans-90.8132.8170.7-172164.1-156.900108.9Q426 V427 K428Q426-E459 WeakPolarHBondContact CA-OE1 3.19Å; Q426-E459 PolarHBondContact N-OE1 3.03Å; V427-E459 HydrophobicContact CG2-CB 3.84Å; K428-E459 HydrophobicContact CG-CB 4.49Å
460G69.7Low73.6Confident47 Ų4790 Ų9049%0.48546%0.456SS..PPolyproline II helixtrans-66.1140173.500000110.6N462G460-N462 PolarHBondContact O-N 2.91Å
461E67Low73.2Confident190 Ų19092.8 Ų92.889%0.88847%0.47SS*.PPolyproline II helixtrans-57.6134.5170.5-67.3-167.616100109.6P463E461-P463 WeakPolarHBondContact O-CD 3.46Å
462N66.5Low72.8Confident102 Ų10295.8 Ų95.855%0.54549%0.488SS..  trans-80.1107.1174.61783.9000108.7G460 Y464 A465G460-N462 PolarHBondContact O-N 2.91Å; N462-Y464 PolarHBondContact O-N 3.18Å; N462-Y464 PolarHBondContact OD1-N 3.15Å; N462-Y464 VanDerWaalsContact OD1-N 3.11Å; N462-A465 HydrophobicContact CB-CB 4.31Å; N462-A465 WeakPolarHBondContact O-CB 3.07Å; N462-A465 PolarHBondContact O-N 3.31Å
463P63.7Low72.5Confident100 Ų10099.5 Ų99.565%0.64951%0.512SS*.THydrogen-bonded Turntrans-65.2-6.2-176.527.2-34.9000113.6E461E461-P463 WeakPolarHBondContact O-CD 3.46Å
464Y62.9Low72.3Confident158 Ų158103.7 Ų103.762%0.6254%0.538SS*.THydrogen-bonded Turntrans-109.14178-55.4-79.1000114.2N462 N466 K467N462-Y464 PolarHBondContact O-N 3.18Å; N462-Y464 PolarHBondContact OD1-N 3.15Å; N462-Y464 VanDerWaalsContact OD1-N 3.11Å; Y464-N466 PolarHBondContact O-N 3.11Å; Y464-N466 VanDerWaalsContact O-N 3.15Å; Y464-K467 HydrophobicContact CD1-CD 4.17Å; Y464-K467 PolarHBondContact O-N 3.02Å
465A61.9Low72.1Confident72 Ų72104.7 Ų104.760%0.59555%0.546SS*.THydrogen-bonded Turntrans-55.2-36.4-175.500000113.4N462N462-A465 HydrophobicContact CB-CB 4.31Å; N462-A465 WeakPolarHBondContact O-CB 3.07Å; N462-A465 PolarHBondContact O-N 3.31Å
466N63.2Low71.7Confident165 Ų165109.7 Ų109.788%0.88257%0.571SS**THydrogen-bonded Turntrans-100.2-2.2178.7-66.6-24.6000114Y464 R468Y464-N466 PolarHBondContact O-N 3.11Å; Y464-N466 VanDerWaalsContact O-N 3.15Å; N466-R468 PolarHBondContact O-N 3.16Å
467K60.1Low71.3Confident148 Ų148114.7 Ų114.764%0.64359%0.585SS**  trans-92.1104.1177.2-73.1179.9178.9172.60109Y464 N469Y464-K467 HydrophobicContact CD1-CD 4.17Å; Y464-K467 PolarHBondContact O-N 3.02Å; K467-N469 PolarHBondContact O-N 3.47Å; K467-N469 VanDerWaalsContact O-N 3.16Å
468R57Low71Confident235 Ų235120.1 Ų120.189%0.88761%0.609SS**  trans-56.9123.1164.7-84.6-177170.1176.4-0.7107.9N466 T470N466-R468 PolarHBondContact O-N 3.16Å; R468-T470 PolarHBondContact O-N 2.95Å
469N64.3Low70.8Confident140 Ų140122.4 Ų122.475%0.74962%0.615SS**  trans-58100.5174.3-159.2-4000108.3K467 L471K467-N469 PolarHBondContact O-N 3.47Å; K467-N469 VanDerWaalsContact O-N 3.16Å; N469-L471 PolarHBondContact O-N 2.82Å
470T64Low70.6Confident123 Ų123126.5 Ų126.576%0.75563%0.632SS**  trans-69.999.1177.2450000106.8R468 T472R468-T470 PolarHBondContact O-N 2.95Å; T470-T472 PolarHBondContact O-N 3.43Å; T470-T472 VanDerWaalsContact O-N 3.15Å
471L70.3Confident71.2Confident59 Ų59134 Ų13431%0.30965%0.645SS.*  trans-48.2123.5177.5-71.3159.4000108.8N469 Q475 M476N469-L471 PolarHBondContact O-N 2.82Å; L471-Q475 HydrophobicContact CB-CB 4.11Å; L471-Q475 HydrophobicContact CD2-CB 3.77Å; L471-M476 HydrophobicContact CB-CG 3.57Å; L471-M476 HydrophobicContact CD1-CG 4.3Å
472T76.9Confident71.8Confident63 Ų63129.8 Ų129.839%0.38763%0.628SS.*  trans-57154.2173.845.40000110T470 T474 Q475 M476T470-T472 PolarHBondContact O-N 3.43Å; T470-T472 VanDerWaalsContact O-N 3.15Å; T472-T474 PolarHBondContact O-N 3.25Å; T472-T474 PolarHBondContact OG1-OG1 3.15Å; T472-Q475 WeakPolarHBondContact O-CA 3.2Å; T472-Q475 WeakPolarHBondContact O-CB 3.41Å; T472-Q475 PolarHBondContact O-N 2.92Å; T472-Q475 WeakPolarHBondContact OG1-CG 3.45Å; T472-Q475 PolarHBondContact OG1-OE1 3.38Å; T472-M476 PolarHBondContact O-N 3.48Å
473P77Confident72.4Confident98 Ų98129.7 Ų129.764%0.63663%0.626SS**Hα-helixtrans-52.1-33.1-179.4-26.933.5000113.1R477P473-R477 WeakPolarHBondContact O-CB 3.4Å; P473-R477 WeakPolarHBondContact O-CG 3.46Å; P473-R477 PolarHBondContact O-N 2.88Å
474T79.8Confident73.1Confident100 Ų100133 Ų13361%0.61363%0.63SS**Hα-helixtrans-67.3-44.8172.637.60000113.1T472 R477 K478T472-T474 PolarHBondContact O-N 3.25Å; T472-T474 PolarHBondContact OG1-OG1 3.15Å; T474-R477 PolarHBondContact O-N 3.46Å; T474-K478 PolarHBondContact O-N 2.93Å
475Q80.8Confident73.8Confident86 Ų86131.7 Ų131.740%0.40263%0.629SS.*Hα-helixtrans-66.7-38.4175.3-71.5172.3-6.400112.2L471 T472 K478 R479L471-Q475 HydrophobicContact CB-CB 4.11Å; L471-Q475 HydrophobicContact CD2-CB 3.77Å; T472-Q475 WeakPolarHBondContact O-CA 3.2Å; T472-Q475 WeakPolarHBondContact O-CB 3.41Å; T472-Q475 PolarHBondContact O-N 2.92Å; T472-Q475 WeakPolarHBondContact OG1-CG 3.45Å; T472-Q475 PolarHBondContact OG1-OE1 3.38Å; Q475-K478 PolarHBondContact O-N 3.42Å; Q475-R479 WeakPolarHBondContact O-CB 3.48Å; Q475-R479 PolarHBondContact O-N 3.32Å
476M77.6Confident74.5Confident109 Ų109132.9 Ų132.954%0.53763%0.625SS.*Hα-helixtrans-62-42.4172-79.1-147-88.900112.1L471 T472 R479 K480L471-M476 HydrophobicContact CB-CG 3.57Å; L471-M476 HydrophobicContact CD1-CG 4.3Å; T472-M476 PolarHBondContact O-N 3.48Å; M476-R479 PolarHBondContact O-N 3.03Å; M476-K480 WeakPolarHBondContact O-CB 3.42Å; M476-K480 PolarHBondContact O-N 2.86Å
477R79.7Confident75.1Confident195 Ų195133.3 Ų133.374%0.73662%0.618SS**Hα-helixtrans-62.7-42.2173.9-78.2176.9179.1-177.40.8112P473 T474 K480 R481P473-R477 WeakPolarHBondContact O-CB 3.4Å; P473-R477 WeakPolarHBondContact O-CG 3.46Å; P473-R477 PolarHBondContact O-N 2.88Å; T474-R477 PolarHBondContact O-N 3.46Å; R477-K480 PolarHBondContact O-N 2.93Å; R477-R481 PolarHBondContact O-N 3.01Å
478K82.2Confident75.7Confident151 Ų151134.8 Ų134.866%0.65763%0.625SS**Hα-helixtrans-63.9-44.5177-164.3175.9-177179.70111.7T474 Q475 R481 L482T474-K478 PolarHBondContact O-N 2.93Å; Q475-K478 PolarHBondContact O-N 3.42Å; K478-R481 WeakPolarHBondContact O-CB 3.46Å; K478-R481 PolarHBondContact O-N 2.99Å; K478-L482 PolarHBondContact O-N 3.24Å
479R79.4Confident75.9Confident149 Ų149130.3 Ų130.356%0.56262%0.618SS**Hα-helixtrans-63.5-42.1175.6-173.6178.4170-171.7-2.4112.1Q475 M476 R481 L482 M483Q475-R479 WeakPolarHBondContact O-CB 3.48Å; Q475-R479 PolarHBondContact O-N 3.32Å; M476-R479 PolarHBondContact O-N 3.03Å; R479-R481 VanDerWaalsContact C-N 3.34Å; R479-R481 PolarHBondContact O-N 2.88Å; R479-L482 PolarHBondContact O-N 3.3Å; R479-M483 WeakPolarHBondContact O-CB 3.45Å; R479-M483 WeakPolarHBondContact O-CG 3.42Å; R479-M483 PolarHBondContact O-N 3.29Å
480K79.7Confident75.3Confident167 Ų167134.8 Ų134.873%0.72663%0.631SS**Hα-helixtrans-60.5-40.9173-93.9-176.2174.6178.20112.1M476 R477 K484M476-K480 WeakPolarHBondContact O-CB 3.42Å; M476-K480 PolarHBondContact O-N 2.86Å; R477-K480 PolarHBondContact O-N 2.93Å; K480-K484 WeakPolarHBondContact O-CB 3.47Å; K480-K484 PolarHBondContact O-N 3.34Å
481R80.6Confident75.9Confident204 Ų204135.4 Ų135.477%0.7763%0.625SS**Hα-helixtrans-62.3-48175.1-104.2-177.2172.4176.7-2.2112.2R477 K478 R479 K484 H485R477-R481 PolarHBondContact O-N 3.01Å; K478-R481 WeakPolarHBondContact O-CB 3.46Å; K478-R481 PolarHBondContact O-N 2.99Å; R479-R481 VanDerWaalsContact C-N 3.34Å; R479-R481 PolarHBondContact O-N 2.88Å; R481-K484 WeakPolarHBondContact O-CB 3.49Å; R481-K484 PolarHBondContact O-N 3.2Å; R481-H485 PolarHBondContact O-N 3.28Å; R481-H485 VanDerWaalsContact O-N 3.11Å
482L80.3Confident76.2Confident101 Ų101139.4 Ų139.453%0.52964%0.642SS.*Hα-helixtrans-61.1-46.6177.5-97.4155000112.3K478 R479 K484 H485 I486K478-L482 PolarHBondContact O-N 3.24Å; R479-L482 PolarHBondContact O-N 3.3Å; L482-K484 VanDerWaalsContact C-N 3.29Å; L482-K484 PolarHBondContact O-N 3.36Å; L482-H485 PolarHBondContact O-N 3.08Å; L482-H485 VanDerWaalsContact O-N 3.11Å; L482-I486 WeakPolarHBondContact O-CG1 3.34Å; L482-I486 PolarHBondContact O-N 3.02Å
483M79Confident76.1Confident100 Ų100143.6 Ų143.649%0.49366%0.656SS.*Hα-helixtrans-60.4-37.2175.7-81-73.5-137.200112.7R479 H485 K487R479-M483 WeakPolarHBondContact O-CB 3.45Å; R479-M483 WeakPolarHBondContact O-CG 3.42Å; R479-M483 PolarHBondContact O-N 3.29Å; M483-H485 VanDerWaalsContact C-N 3.34Å; M483-K487 WeakPolarHBondContact O-CB 3.5Å; M483-K487 PolarHBondContact O-N 3.46Å
484K78.8Confident76.1Confident171 Ų171146.3 Ų146.374%0.74366%0.657SS**Hα-helixtrans-64.4-38174.7-114.8-176.2177.2-175.80112.1K480 R481 L482 K488K480-K484 WeakPolarHBondContact O-CB 3.47Å; K480-K484 PolarHBondContact O-N 3.34Å; R481-K484 WeakPolarHBondContact O-CB 3.49Å; R481-K484 PolarHBondContact O-N 3.2Å; L482-K484 VanDerWaalsContact C-N 3.29Å; L482-K484 PolarHBondContact O-N 3.36Å; K484-K488 PolarHBondContact O-N 3.11Å
485H77Confident75.8Confident130 Ų130149.2 Ų149.260%0.60266%0.66SS**Hα-helixtrans-69.6-43.7176.7-113.8-75.5000112.2R481 L482 M483 K487 K488 N489R481-H485 PolarHBondContact O-N 3.28Å; R481-H485 VanDerWaalsContact O-N 3.11Å; L482-H485 PolarHBondContact O-N 3.08Å; L482-H485 VanDerWaalsContact O-N 3.11Å; M483-H485 VanDerWaalsContact C-N 3.34Å; H485-K487 VanDerWaalsContact C-N 3.34Å; H485-K487 PolarHBondContact O-N 2.98Å; H485-K488 PolarHBondContact O-N 3.11Å; H485-K488 VanDerWaalsContact O-N 3.08Å; H485-N489 PolarHBondContact O-N 3.26Å
486I77.8Confident75.5Confident97 Ų97153.4 Ų153.450%0.49768%0.677SS.*Hα-helixtrans-64.5-39.5178.8-65.9167.1000111.1L482 K488 N489 K490L482-I486 WeakPolarHBondContact O-CG1 3.34Å; L482-I486 PolarHBondContact O-N 3.02Å; I486-K488 PolarHBondContact O-N 3.36Å; I486-N489 PolarHBondContact O-N 3.04Å; I486-K490 PolarHBondContact O-N 2.99Å
487K75.5Confident75.4Confident173 Ų173156.6 Ų156.675%0.75269%0.687SS**THydrogen-bonded Turntrans-70.6-13.3174-84.8-168.9173-169.70114.7M483 H485M483-K487 WeakPolarHBondContact O-CB 3.5Å; M483-K487 PolarHBondContact O-N 3.46Å; H485-K487 VanDerWaalsContact C-N 3.34Å; H485-K487 PolarHBondContact O-N 2.98Å
488K72.4Confident75Confident179 Ų179153.6 Ų153.678%0.77868%0.683SS**THydrogen-bonded Turntrans-93.5-17.2175.5-124.3-174.4177.8-168.50112.5K484 H485 I486K484-K488 PolarHBondContact O-N 3.11Å; H485-K488 PolarHBondContact O-N 3.11Å; H485-K488 VanDerWaalsContact O-N 3.08Å; I486-K488 PolarHBondContact O-N 3.36Å
489N61.7Low74.4Confident141 Ų141153.8 Ų153.875%0.75469%0.685SS**  trans-101-3.4178.6-78.69000113.1H485 I486H485-N489 PolarHBondContact O-N 3.26Å; I486-N489 PolarHBondContact O-N 3.04Å
490K50.9Low74Confident234 Ų234154.3 Ų154.3100%1.01770%0.697SS**  trans-102.70160.1-82.7-170.5173.5-170.30107.5I486I486-K490 PolarHBondContact O-N 2.99Å

Retrieved 490 of 490 residues in 309.9 ms (Link to these results)

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