A0A077ZJC4_TRITR Loading...

Abhydrolase 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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
1M75.7Confident93.1Very high103 Ų10385.9 Ų85.951%0.50745%0.451SS..  0137.80-176.1174.9-7200107.7N5 R207M1-N5 HydrophobicContact CG-CB 3.41Å; M1-N5 VanDerWaalsContact CG-CB 3.41Å; M1-N5 WeakPolarHBondContact CG-ND2 3.3Å; M1-N5 HydrophobicContact SD-CB 3.64Å; M1-R207 HydrophobicContact CE-CB 3.69Å; M1-R207 HydrophobicContact CE-CG 4.39Å; M1-R207 HydrophobicContact SD-CB 4.06Å
2K88.3Confident93.5Very high114 Ų11486 Ų8650%0.49645%0.451SS..  trans-71.3153.1179.8-76.6172.752.981.50110.6E4 N5K2-E4 WeakPolarHBondContact CE-OE1 3.48Å; K2-E4 WeakPolarHBondContact CE-OE2 3.42Å; K2-E4 IonicContact NZ-OE1 2.69Å; K2-E4 PolarHBondContact NZ-OE1 2.59Å; K2-E4 IonicContact NZ-OE2 3.94Å; K2-E4 PolarHBondContact O-N 2.86Å; K2-N5 WeakPolarHBondContact O-CB 3.3Å; K2-N5 PolarHBondContact O-N 2.77Å
3P89.4Confident93.9Very high111 Ų11179.8 Ų79.872%0.72142%0.419SS*.G310 helixtrans-53.5-34.8172.9-27.435.6000113.6N5 K6P3-N5 PolarHBondContact O-N 2.58Å; P3-N5 VanDerWaalsContact O-N 3.15Å; P3-K6 WeakPolarHBondContact O-CB 3.39Å; P3-K6 VanDerWaalsContact O-CG 3.27Å; P3-K6 WeakPolarHBondContact O-CG 3.31Å; P3-K6 PolarHBondContact O-N 3.16Å; P3-K6 VanDerWaalsContact O-N 3.09Å
4E93.7Very high94.2Very high146 Ų14676.6 Ų76.668%0.68241%0.406SS*.G310 helixtrans-61.2-19.2176.8-65152-136.500114.2K2K2-E4 WeakPolarHBondContact CE-OE1 3.48Å; K2-E4 WeakPolarHBondContact CE-OE2 3.42Å; K2-E4 IonicContact NZ-OE1 2.69Å; K2-E4 PolarHBondContact NZ-OE1 2.59Å; K2-E4 IonicContact NZ-OE2 3.94Å; K2-E4 PolarHBondContact O-N 2.86Å
5N96.1Very high94.5Very high88 Ų8876.7 Ų76.747%0.47142%0.422SS..G310 helixtrans-89-4.7179.3-62.810.8000112.4M1 K2 P3M1-N5 HydrophobicContact CG-CB 3.41Å; M1-N5 VanDerWaalsContact CG-CB 3.41Å; M1-N5 WeakPolarHBondContact CG-ND2 3.3Å; M1-N5 HydrophobicContact SD-CB 3.64Å; K2-N5 WeakPolarHBondContact O-CB 3.3Å; K2-N5 PolarHBondContact O-N 2.77Å; P3-N5 PolarHBondContact O-N 2.58Å; P3-N5 VanDerWaalsContact O-N 3.15Å
6K96.1Very high94.7Very high35 Ų3573.6 Ų73.615%0.15241%0.413CS..SBendtrans-70.9145.9175.5-59.7-65.5-173.7179.40109.5P3 R206 R207 L208 L209P3-K6 WeakPolarHBondContact O-CB 3.39Å; P3-K6 VanDerWaalsContact O-CG 3.27Å; P3-K6 WeakPolarHBondContact O-CG 3.31Å; P3-K6 PolarHBondContact O-N 3.16Å; P3-K6 VanDerWaalsContact O-N 3.09Å; K6-R206 PolarHBondContact NZ-O 2.89Å; K6-R207 VanDerWaalsContact CD-O 3.28Å; K6-R207 WeakPolarHBondContact CD-O 3.34Å; K6-R207 WeakPolarHBondContact CE-O 3.13Å; K6-R207 PolarHBondContact NZ-O 2.91Å; K6-L208 WeakPolarHBondContact CA-O 3.34Å; K6-L209 WeakPolarHBondContact CD-O 3.06Å; K6-L209 WeakPolarHBondContact CE-O 3.34Å; K6-L209 PolarHBondContact NZ-O 3.3Å
7L95.2Very high94.9Very high76 Ų7669.3 Ų69.340%0.39839%0.389SS..  trans-64.1148.8170.7-66.3176.8000110V9 L12 L208 L209L7-V9 PolarHBondContact O-N 2.85Å; L7-L12 HydrophobicContact CB-CD1 4.34Å; L7-L208 PolarHBondContact N-O 2.79Å; L7-L209 HydrophobicContact CD1-CD2 4.49Å
8P96.7Very high95.1Very high76 Ų7669.7 Ų69.749%0.49439%0.386SS..  trans-75.372.2177.232.7-36.1000110.6L10 D11P8-L10 VanDerWaalsContact C-N 3.27Å; P8-L10 PolarHBondContact O-N 3.09Å; P8-L10 VanDerWaalsContact O-N 3.15Å; P8-D11 WeakPolarHBondContact O-CB 3.38Å; P8-D11 PolarHBondContact O-N 3.41Å
9V97.8Very high95.2Very high2 Ų270.1 Ų70.11%0.01239%0.391CS..Hα-helixtrans-52.4-42-169.2171.30000113.1L7 D11 L12 I13 L209 W213 F261 L291L7-V9 PolarHBondContact O-N 2.85Å; V9-D11 PolarHBondContact O-N 3.27Å; V9-D11 VanDerWaalsContact O-N 3.17Å; V9-L12 PolarHBondContact O-N 3.01Å; V9-I13 HydrophobicContact CG1-CG2 3.93Å; V9-I13 PolarHBondContact O-N 3.13Å; V9-I13 VanDerWaalsContact O-N 3.16Å; V9-L209 HydrophobicContact CG2-CD2 3.55Å; V9-W213 HydrophobicContact CB-CZ2 3.94Å; V9-W213 HydrophobicContact CG2-CH2 4.4Å; V9-W213 HydrophobicContact CG2-CZ2 3.68Å; V9-F261 HydrophobicContact CG1-CB 3.67Å; V9-F261 HydrophobicContact CG1-CG 4.15Å; V9-L291 HydrophobicContact CG1-CD2 3.36Å
10L97Very high95.4Very high76 Ų7667 Ų6740%0.39837%0.373SS..Hα-helixtrans-63.3-22.7-177.7-64.1-177000113.4P8 I13 K18 V21 W213P8-L10 VanDerWaalsContact C-N 3.27Å; P8-L10 PolarHBondContact O-N 3.09Å; P8-L10 VanDerWaalsContact O-N 3.15Å; L10-I13 HydrophobicContact CD2-CD1 4.16Å; L10-I13 WeakPolarHBondContact O-CG1 3.06Å; L10-K18 WeakPolarHBondContact O-CE 3.45Å; L10-V21 HydrophobicContact CD2-CG1 4.17Å; L10-W213 HydrophobicContact CD2-CB 4.04Å; L10-W213 HydrophobicContact CD2-CG 4.28Å
11D97.8Very high95.4Very high118 Ų11866.7 Ų66.763%0.63137%0.373SS*.Hα-helixtrans-77.8-29.2174.5-65.5-35.1000111.9P8 V9 K18P8-D11 WeakPolarHBondContact O-CB 3.38Å; P8-D11 PolarHBondContact O-N 3.41Å; V9-D11 PolarHBondContact O-N 3.27Å; V9-D11 VanDerWaalsContact O-N 3.17Å; D11-K18 PolarHBondContact O-NZ 3.19Å
12L98.3Very high96.4Very high87 Ų8767.8 Ų67.846%0.45538%0.381SS..Hα-helixtrans-94.7-24.4-167.9-56.4174.6000114.4L7 V9 F261L7-L12 HydrophobicContact CB-CD1 4.34Å; V9-L12 PolarHBondContact O-N 3.01Å; L12-F261 HydrophobicContact CB-CD1 4.46Å; L12-F261 HydrophobicContact CB-CE1 3.69Å; L12-F261 HydrophobicContact CB-CE2 4Å; L12-F261 HydrophobicContact CB-CZ 3.43Å; L12-F261 VanDerWaalsContact CB-CZ 3.43Å; L12-F261 HydrophobicContact CD1-CE1 3.79Å; L12-F261 HydrophobicContact CD1-CZ 4.32Å; L12-F261 HydrophobicContact CG-CE1 4.4Å; L12-F261 HydrophobicContact CG-CZ 4.48Å
13I98.5Very high96.8Very high6 Ų664.2 Ų64.23%0.03137%0.369CS..SBendtrans-62.4156.8-179.150.9162.8000113.2V9 L10 M17 K18 V21 F261 L291V9-I13 HydrophobicContact CG1-CG2 3.93Å; V9-I13 PolarHBondContact O-N 3.13Å; V9-I13 VanDerWaalsContact O-N 3.16Å; L10-I13 HydrophobicContact CD2-CD1 4.16Å; L10-I13 WeakPolarHBondContact O-CG1 3.06Å; I13-M17 HydrophobicContact CB-CB 4.11Å; I13-M17 HydrophobicContact CB-CG 3.99Å; I13-M17 HydrophobicContact CD1-CB 4.22Å; I13-M17 HydrophobicContact CD1-CG 3.78Å; I13-M17 HydrophobicContact CG1-CG 4.46Å; I13-M17 HydrophobicContact CG2-CG 4.18Å; I13-K18 HydrophobicContact CD1-CB 4.49Å; I13-K18 HydrophobicContact CD1-CG 3.65Å; I13-K18 HydrophobicContact CG1-CD 4.49Å; I13-K18 HydrophobicContact CG1-CG 3.72Å; I13-K18 VanDerWaalsContact O-CE 3.26Å; I13-K18 WeakPolarHBondContact O-CE 3.12Å; I13-V21 HydrophobicContact CD1-CG2 4.05Å; I13-F261 HydrophobicContact CG2-CB 4.32Å; I13-F261 HydrophobicContact CG2-CD2 3.68Å; I13-F261 HydrophobicContact CG2-CE2 4.38Å; I13-F261 HydrophobicContact CG2-CG 4.22Å; I13-L291 HydrophobicContact CG2-CD2 3.75Å; I13-L291 HydrophobicContact CG2-CG 4.01Å
14S98.4Very high96.8Very high34 Ų3466.5 Ų66.524%0.23837%0.374CS..  trans-61.9158.118065.30000112.7G16 M17 K18 G289S14-G16 PolarHBondContact O-N 3.3Å; S14-M17 PolarHBondContact O-N 3.08Å; S14-M17 VanDerWaalsContact O-N 3.14Å; S14-M17 WeakPolarHBondContact OG-CB 3.21Å; S14-M17 PolarHBondContact OG-N 3.31Å; S14-M17 VanDerWaalsContact OG-N 3.16Å; S14-K18 WeakPolarHBondContact O-CG 3.18Å; S14-K18 PolarHBondContact O-N 3.02Å; S14-G289 WeakPolarHBondContact CB-O 3.32Å; S14-G289 PolarHBondContact N-O 3.12Å; S14-G289 PolarHBondContact OG-O 3.01Å
15A98Very high96.7Very high78 Ų7861.5 Ų61.565%0.64535%0.351SS*.Hα-helixtrans-58.1-35.717400000112.9K18 T19A15-K18 PolarHBondContact O-N 3.27Å; A15-T19 PolarHBondContact O-N 2.95Å; A15-T19 PolarHBondContact O-OG1 2.85Å
16G97.6Very high96.5Very high27 Ų2762.8 Ų62.828%0.27836%0.364SS..Hα-helixtrans-62.9-46.8174.500000111.9S14 T19 V20S14-G16 PolarHBondContact O-N 3.3Å; G16-T19 WeakPolarHBondContact O-CB 3.44Å; G16-T19 PolarHBondContact O-N 2.93Å; G16-V20 PolarHBondContact O-N 2.99Å
17M98.5Very high96.3Very high1 Ų168.6 Ų68.61%0.00540%0.397CS..Hα-helixtrans-65.9-39.1176.8-17452.974.500112.1I13 S14 T19 V20 V21 G289 T290 L291 F294 Y297 M301I13-M17 HydrophobicContact CB-CB 4.11Å; I13-M17 HydrophobicContact CB-CG 3.99Å; I13-M17 HydrophobicContact CD1-CB 4.22Å; I13-M17 HydrophobicContact CD1-CG 3.78Å; I13-M17 HydrophobicContact CG1-CG 4.46Å; I13-M17 HydrophobicContact CG2-CG 4.18Å; S14-M17 PolarHBondContact O-N 3.08Å; S14-M17 VanDerWaalsContact O-N 3.14Å; S14-M17 WeakPolarHBondContact OG-CB 3.21Å; S14-M17 PolarHBondContact OG-N 3.31Å; S14-M17 VanDerWaalsContact OG-N 3.16Å; M17-T19 VanDerWaalsContact C-N 3.29Å; M17-T19 PolarHBondContact O-N 3.29Å; M17-V20 WeakPolarHBondContact O-CB 3.23Å; M17-V20 PolarHBondContact O-N 3.13Å; M17-V20 VanDerWaalsContact O-N 3.12Å; M17-V20 HydrophobicContact SD-CB 4.46Å; M17-V21 HydrophobicContact CG-CG2 4.47Å; M17-V21 WeakPolarHBondContact O-CG2 3.32Å; M17-V21 PolarHBondContact O-N 2.82Å; M17-V21 HydrophobicContact SD-CG2 4.43Å; M17-G289 VanDerWaalsContact CB-O 3.29Å; M17-G289 WeakPolarHBondContact CB-O 3.3Å; M17-T290 HydrophobicContact CE-CG2 4.38Å; M17-L291 HydrophobicContact CE-CB 4.12Å; M17-L291 HydrophobicContact CG-CB 4.44Å; M17-L291 HydrophobicContact CG-CD1 4.16Å; M17-L291 HydrophobicContact CG-CG 3.88Å; M17-L291 HydrophobicContact SD-CB 4.08Å; M17-L291 HydrophobicContact SD-CD1 4.06Å; M17-L291 HydrophobicContact SD-CG 4.02Å; M17-F294 HydrophobicContact CE-CB 3.39Å; M17-Y297 HydrophobicContact CE-CD2 4.19Å; M17-Y297 HydrophobicContact CE-CE2 4.36Å; M17-Y297 HydrophobicContact SD-CD2 4.47Å; M17-Y297 HydrophobicContact SD-CE2 4.41Å; M17-M301 HydrophobicContact CB-CE 3.91Å; M17-M301 HydrophobicContact CB-SD 4.28Å; M17-M301 HydrophobicContact CE-CE 3.64Å; M17-M301 HydrophobicContact CE-SD 3.56Å; M17-M301 VanDerWaalsContact CE-SD 3.56Å; M17-M301 HydrophobicContact SD-CE 4.49Å; M17-M301 HydrophobicContact SD-SD 4.02Å
18K98.3Very high96.2Very high77 Ų7766.6 Ų66.634%0.33539%0.386SS..Hα-helixtrans-59.5-39.1173.3-71.1179.7-179.5177.30112.1L10 D11 I13 S14 A15 V20 V21 N22L10-K18 WeakPolarHBondContact O-CE 3.45Å; D11-K18 PolarHBondContact O-NZ 3.19Å; I13-K18 HydrophobicContact CD1-CB 4.49Å; I13-K18 HydrophobicContact CD1-CG 3.65Å; I13-K18 HydrophobicContact CG1-CD 4.49Å; I13-K18 HydrophobicContact CG1-CG 3.72Å; I13-K18 VanDerWaalsContact O-CE 3.26Å; I13-K18 WeakPolarHBondContact O-CE 3.12Å; S14-K18 WeakPolarHBondContact O-CG 3.18Å; S14-K18 PolarHBondContact O-N 3.02Å; A15-K18 PolarHBondContact O-N 3.27Å; K18-V20 VanDerWaalsContact C-N 3.31Å; K18-V20 PolarHBondContact O-N 3.02Å; K18-V21 PolarHBondContact O-N 3.04Å; K18-N22 WeakPolarHBondContact O-CB 3.29Å; K18-N22 VanDerWaalsContact O-CG 3.26Å; K18-N22 PolarHBondContact O-N 3.04Å; K18-N22 PolarHBondContact O-ND2 2.73Å; K18-N22 VanDerWaalsContact O-ND2 3.09Å
19T97.9Very high96.1Very high77 Ų7766.4 Ų66.447%0.47239%0.385SS..Hα-helixtrans-60.7-42175.4-51.70000111.3A15 G16 M17 T23 M300A15-T19 PolarHBondContact O-N 2.95Å; A15-T19 PolarHBondContact O-OG1 2.85Å; G16-T19 WeakPolarHBondContact O-CB 3.44Å; G16-T19 PolarHBondContact O-N 2.93Å; M17-T19 VanDerWaalsContact C-N 3.29Å; M17-T19 PolarHBondContact O-N 3.29Å; T19-T23 PolarHBondContact O-N 3.13Å; T19-T23 PolarHBondContact O-OG1 3.04Å; T19-M300 HydrophobicContact CG2-CE 3.52Å
20V97.9Very high95.9Very high7 Ų771.8 Ų71.84%0.04242%0.42CS..Hα-helixtrans-64.2-51.9175.5172.50000111.3G16 M17 K18 N22 T23 W51 Y297 M300 M301G16-V20 PolarHBondContact O-N 2.99Å; M17-V20 WeakPolarHBondContact O-CB 3.23Å; M17-V20 PolarHBondContact O-N 3.13Å; M17-V20 VanDerWaalsContact O-N 3.12Å; M17-V20 HydrophobicContact SD-CB 4.46Å; K18-V20 VanDerWaalsContact C-N 3.31Å; K18-V20 PolarHBondContact O-N 3.02Å; V20-N22 PolarHBondContact O-N 2.9Å; V20-T23 VanDerWaalsContact O-CB 3.26Å; V20-T23 WeakPolarHBondContact O-CB 3.44Å; V20-T23 PolarHBondContact O-N 3.09Å; V20-T23 PolarHBondContact O-OG1 3.29Å; V20-W51 HydrophobicContact CG1-CH2 3.84Å; V20-W51 HydrophobicContact CG1-CZ2 4.11Å; V20-W51 HydrophobicContact CG1-CZ3 4.43Å; V20-Y297 HydrophobicContact CB-CD2 4.37Å; V20-Y297 HydrophobicContact CB-CG 4.43Å; V20-Y297 HydrophobicContact CG1-CD1 3.75Å; V20-Y297 HydrophobicContact CG1-CD2 3.64Å; V20-Y297 HydrophobicContact CG1-CE1 3.8Å; V20-Y297 HydrophobicContact CG1-CE2 3.7Å; V20-Y297 HydrophobicContact CG1-CG 3.68Å; V20-Y297 HydrophobicContact CG2-CD2 4.18Å; V20-Y297 HydrophobicContact CG2-CG 3.96Å; V20-M300 HydrophobicContact CG2-CB 4.29Å; V20-M301 HydrophobicContact CB-SD 4.44Å; V20-M301 HydrophobicContact CG2-CG 3.65Å; V20-M301 HydrophobicContact CG2-SD 3.64Å
21V97.1Very high95.8Very high62 Ų6273.4 Ų73.438%0.37642%0.421SS..Hα-helixtrans-57.3-35.8-179171.60000111.9L10 I13 M17 K18 T23 L291L10-V21 HydrophobicContact CD2-CG1 4.17Å; I13-V21 HydrophobicContact CD1-CG2 4.05Å; M17-V21 HydrophobicContact CG-CG2 4.47Å; M17-V21 WeakPolarHBondContact O-CG2 3.32Å; M17-V21 PolarHBondContact O-N 2.82Å; M17-V21 HydrophobicContact SD-CG2 4.43Å; K18-V21 PolarHBondContact O-N 3.04Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 2.99Å; V21-L291 HydrophobicContact CG2-CD1 3.78Å
22N96.7Very high95.7Very high125 Ų12569.2 Ų69.267%0.66840%0.4SS*.THydrogen-bonded Turntrans-84.90.5179.4-66.7-32.2000114K18 V20 L24K18-N22 WeakPolarHBondContact O-CB 3.29Å; K18-N22 VanDerWaalsContact O-CG 3.26Å; K18-N22 PolarHBondContact O-N 3.04Å; K18-N22 PolarHBondContact O-ND2 2.73Å; K18-N22 VanDerWaalsContact O-ND2 3.09Å; V20-N22 PolarHBondContact O-N 2.9Å; N22-L24 PolarHBondContact O-N 3.15Å
23T96Very high95.4Very high39 Ų3968.4 Ų68.424%0.23941%0.406CS..  trans-76109.7179.2-620000110.1T19 V20 V21 F50 W51 M300T19-T23 PolarHBondContact O-N 3.13Å; T19-T23 PolarHBondContact O-OG1 3.04Å; V20-T23 VanDerWaalsContact O-CB 3.26Å; V20-T23 WeakPolarHBondContact O-CB 3.44Å; V20-T23 PolarHBondContact O-N 3.09Å; V20-T23 PolarHBondContact O-OG1 3.29Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 2.99Å; T23-F50 HydrophobicContact CG2-CE1 3.91Å; T23-F50 HydrophobicContact CG2-CZ 4.2Å; T23-W51 HydrophobicContact CG2-CH2 4.02Å; T23-W51 HydrophobicContact CG2-CZ2 4.45Å; T23-M300 WeakPolarHBondContact OG1-CE 3.4Å
24L88.9Confident95.1Very high160 Ų16075.3 Ų75.384%0.83845%0.448SS*.  trans-80.5140.3174.7-67.7175.3000111.3N22N22-L24 PolarHBondContact O-N 3.15Å
25Q92.7Very high94.8Very high40 Ų4074.7 Ų74.719%0.18745%0.448CS..  trans-12087.6172.1-67.6-167.861.200108.2D27 L28 E47Q25-D27 PolarHBondContact O-N 3.39Å; Q25-D27 VanDerWaalsContact O-N 3.16Å; Q25-L28 HydrophobicContact CB-CD1 3.41Å; Q25-L28 VanDerWaalsContact CB-CD1 3.41Å; Q25-L28 HydrophobicContact CB-CG 3.84Å; Q25-L28 HydrophobicContact CG-CD1 4.07Å; Q25-L28 PolarHBondContact O-N 2.96Å; Q25-E47 PolarHBondContact NE2-O 3.3Å; Q25-E47 PolarHBondContact NE2-OE1 2.7Å; Q25-E47 PolarHBondContact OE1-O 3.32Å
26P91.1Very high94.7Very high116 Ų11674.9 Ų74.975%0.75344%0.441SS*.THydrogen-bonded Turntrans-66.1-19.1-168.526.7-35.6000114.2L28P26-L28 VanDerWaalsContact C-N 3.33Å
27D92.8Very high94.7Very high157 Ų15775.9 Ų75.984%0.8444%0.44SS*.THydrogen-bonded Turntrans-82.8-8.8179.8-55.9-53.6000113.4Q25Q25-D27 PolarHBondContact O-N 3.39Å; Q25-D27 VanDerWaalsContact O-N 3.16Å
28L93.3Very high94.6Very high34 Ų3478.7 Ų78.718%0.17846%0.463CS..SBendtrans-82.1141.5177.9-66.6172.5000111Q25 P26 L46 E47Q25-L28 HydrophobicContact CB-CD1 3.41Å; Q25-L28 VanDerWaalsContact CB-CD1 3.41Å; Q25-L28 HydrophobicContact CB-CG 3.84Å; Q25-L28 HydrophobicContact CG-CD1 4.07Å; Q25-L28 PolarHBondContact O-N 2.96Å; P26-L28 VanDerWaalsContact C-N 3.33Å; L28-L46 HydrophobicContact CD2-CB 3.7Å; L28-E47 HydrophobicContact CD1-CB 3.75Å; L28-E47 HydrophobicContact CD1-CG 3.65Å; L28-E47 HydrophobicContact CD2-CB 4.13Å
29P93.4Very high94.6Very high71 Ų7179.5 Ų79.546%0.46147%0.468SS..PPolyproline II helixtrans-61.5171.3163.826.9-31.7000110.9Y43P29-Y43 HydrophobicContact CG-CD2 3.99Å; P29-Y43 HydrophobicContact CG-CE2 4.31Å; P29-Y43 WeakPolarHBondContact O-CE2 3.45Å
30P94Very high94.6Very high115 Ų11577.1 Ų77.175%0.74745%0.451SS*.PPolyproline II helixtrans-67.4154.9164.928.3-33.7000111.1P32 Y43P30-P32 WeakPolarHBondContact O-CD 3.27Å; P30-Y43 VanDerWaalsContact C-CE2 3.49Å; P30-Y43 WeakPolarHBondContact O-CE2 3.35Å
31W95.1Very high94.7Very high111 Ų11179.2 Ų79.242%0.4246%0.458SS..PPolyproline II helixtrans-57.1121.7178.3171.6-110.9000111.2A33 Q40 Y43 L97W31-A33 VanDerWaalsContact C-N 3.26Å; W31-A33 PolarHBondContact O-N 2.99Å; W31-Q40 HydrophobicContact CH2-CB 4.11Å; W31-Q40 HydrophobicContact CH2-CG 4.14Å; W31-Q40 HydrophobicContact CZ2-CG 4.24Å; W31-Y43 HydrophobicContact CB-CE2 4.38Å; W31-Y43 AromaticContact CE3-CD1 3.37Å; W31-Y43 HydrophobicContact CE3-CD1 3.37Å; W31-Y43 HydrophobicContact CE3-CD2 4.37Å; W31-Y43 AromaticContact CE3-CE1 3.61Å; W31-Y43 HydrophobicContact CE3-CE1 3.61Å; W31-Y43 AromaticContact CE3-CG 3.8Å; W31-Y43 HydrophobicContact CE3-CG 3.8Å; W31-Y43 AromaticContact CZ3-CD1 3.61Å; W31-Y43 HydrophobicContact CZ3-CD1 3.61Å; W31-Y43 HydrophobicContact CZ3-CE1 4.22Å; W31-Y43 HydrophobicContact CZ3-CG 4.1Å; W31-L97 HydrophobicContact CH2-CD1 4.23Å
32P94.7Very high94.7Very high29 Ų2982.1 Ų82.119%0.18847%0.468CS..  trans-83.763.9-173.935-37.2000111.3P30 T34 G35 E39 Q40 Y43P30-P32 WeakPolarHBondContact O-CD 3.27Å; P32-T34 PolarHBondContact O-N 3.39Å; P32-T34 VanDerWaalsContact O-N 3.1Å; P32-G35 WeakPolarHBondContact O-CA 3.43Å; P32-G35 PolarHBondContact O-N 3.49Å; P32-E39 HydrophobicContact CB-CB 4.44Å; P32-E39 HydrophobicContact CG-CB 4.36Å; P32-Q40 HydrophobicContact CG-CG 4.14Å; P32-Y43 VanDerWaalsContact CD-CD2 3.42Å; P32-Y43 HydrophobicContact CG-CD2 4.36Å; P32-Y43 HydrophobicContact CG-CG 4.45Å
33A92Very high94.8Very high71 Ų7178.2 Ų78.259%0.58744%0.444SS*.THydrogen-bonded Turntrans-56.9-28-178.700000113.9W31W31-A33 VanDerWaalsContact C-N 3.26Å; W31-A33 PolarHBondContact O-N 2.99Å
34T91.8Very high94.9Very high150 Ų15077.7 Ų77.792%0.9244%0.438SS*.THydrogen-bonded Turntrans-101.96.8176.160.80000113.1P32P32-T34 PolarHBondContact O-N 3.39Å; P32-T34 VanDerWaalsContact O-N 3.1Å
35G92.8Very high95.4Very high22 Ų2272.2 Ų72.223%0.22741%0.411CS..SBendtrans-84.5167.3179.700000112.7P32 E39 Q40P32-G35 WeakPolarHBondContact O-CA 3.43Å; P32-G35 PolarHBondContact O-N 3.49Å; G35-E39 VanDerWaalsContact CA-OE2 3.32Å; G35-E39 WeakPolarHBondContact CA-OE2 3.37Å; G35-Q40 PolarHBondContact O-NE2 3.16Å
36T96.4Very high95.6Very high81 Ų8172.9 Ų72.950%0.49742%0.416SS..  trans-60.1158.8171.762.90000111.7A38 E39 Q40T36-A38 PolarHBondContact O-N 2.97Å; T36-E39 WeakPolarHBondContact CB-OE2 3.22Å; T36-E39 PolarHBondContact N-OE2 2.99Å; T36-E39 PolarHBondContact O-N 3.02Å; T36-E39 VanDerWaalsContact O-N 3.11Å; T36-E39 VanDerWaalsContact OG1-CG 3.31Å; T36-E39 WeakPolarHBondContact OG1-CG 3.33Å; T36-E39 PolarHBondContact OG1-N 3.13Å; T36-E39 PolarHBondContact OG1-OE2 3.19Å; T36-Q40 PolarHBondContact O-N 3.03Å
37I96.9Very high95.9Very high49 Ų4968.8 Ų68.825%0.25139%0.386SS..Hα-helixtrans-58-33.5173.5-174.956.4000112Q40 R41 I96 L97I37-Q40 PolarHBondContact O-N 3.12Å; I37-R41 HydrophobicContact CD1-CG 4.4Å; I37-R41 HydrophobicContact CG1-CG 4.43Å; I37-R41 WeakPolarHBondContact O-CB 3.46Å; I37-R41 VanDerWaalsContact O-CG 3.31Å; I37-R41 WeakPolarHBondContact O-CG 3.19Å; I37-R41 PolarHBondContact O-N 2.83Å; I37-I96 HydrophobicContact CD1-CB 3.94Å; I37-I96 HydrophobicContact CD1-CD1 3.76Å; I37-I96 HydrophobicContact CD1-CG1 3.87Å; I37-L97 HydrophobicContact CD1-CD2 4.06Å
38A97.6Very high96.2Very high59 Ų5962.3 Ų62.349%0.48835%0.35SS..Hα-helixtrans-64.4-42.617600000112T36 R41 Q42T36-A38 PolarHBondContact O-N 2.97Å; A38-R41 PolarHBondContact O-N 2.89Å; A38-Q42 WeakPolarHBondContact O-CB 3.01Å; A38-Q42 PolarHBondContact O-N 2.98Å
39E97.9Very high96.4Very high94 Ų9469 Ų6944%0.43937%0.373SS..Hα-helixtrans-66.1-39175.5-71.7162.9132.500111.7P32 G35 T36 Q42 Y43P32-E39 HydrophobicContact CB-CB 4.44Å; P32-E39 HydrophobicContact CG-CB 4.36Å; G35-E39 VanDerWaalsContact CA-OE2 3.32Å; G35-E39 WeakPolarHBondContact CA-OE2 3.37Å; T36-E39 WeakPolarHBondContact CB-OE2 3.22Å; T36-E39 PolarHBondContact N-OE2 2.99Å; T36-E39 PolarHBondContact O-N 3.02Å; T36-E39 VanDerWaalsContact O-N 3.11Å; T36-E39 VanDerWaalsContact OG1-CG 3.31Å; T36-E39 WeakPolarHBondContact OG1-CG 3.33Å; T36-E39 PolarHBondContact OG1-N 3.13Å; T36-E39 PolarHBondContact OG1-OE2 3.19Å; E39-Q42 PolarHBondContact O-N 2.86Å; E39-Y43 WeakPolarHBondContact O-CB 3.38Å; E39-Y43 PolarHBondContact O-N 2.05Å
40Q98.2Very high96.6Very high28 Ų2869 Ų6913%0.13137%0.366CS..Hα-helixtrans-65.4-43.3174.9-68.7-18056.700112.1W31 P32 G35 T36 I37 Y43 Y44 L97W31-Q40 HydrophobicContact CH2-CB 4.11Å; W31-Q40 HydrophobicContact CH2-CG 4.14Å; W31-Q40 HydrophobicContact CZ2-CG 4.24Å; P32-Q40 HydrophobicContact CG-CG 4.14Å; G35-Q40 PolarHBondContact O-NE2 3.16Å; T36-Q40 PolarHBondContact O-N 3.03Å; I37-Q40 PolarHBondContact O-N 3.12Å; Q40-Y43 PolarHBondContact O-N 2.91Å; Q40-Y44 WeakPolarHBondContact O-CB 3.4Å; Q40-Y44 PolarHBondContact O-N 3.41Å; Q40-L97 HydrophobicContact CB-CD2 4.04Å
41R98.5Very high96.9Very high50 Ų5063.8 Ų63.819%0.18933%0.332CS..Hα-helixtrans-60.1-47.2173.5-75173.5-179.9157.52.8111.2I37 A38 Y43 Y44 T45 I96 L97 S126 E128I37-R41 HydrophobicContact CD1-CG 4.4Å; I37-R41 HydrophobicContact CG1-CG 4.43Å; I37-R41 WeakPolarHBondContact O-CB 3.46Å; I37-R41 VanDerWaalsContact O-CG 3.31Å; I37-R41 WeakPolarHBondContact O-CG 3.19Å; I37-R41 PolarHBondContact O-N 2.83Å; A38-R41 PolarHBondContact O-N 2.89Å; R41-Y43 PolarHBondContact O-N 3.34Å; R41-Y44 PolarHBondContact O-N 3.06Å; R41-T45 PolarHBondContact O-N 3.37Å; R41-T45 PolarHBondContact O-OG1 3.47Å; R41-T45 VanDerWaalsContact O-OG1 3.13Å; R41-I96 WeakPolarHBondContact CG-O 3.17Å; R41-I96 PolarHBondContact NE-O 3.42Å; R41-L97 HydrophobicContact CB-CD2 4.49Å; R41-L97 HydrophobicContact CG-CD2 3.81Å; R41-S126 PolarHBondContact NH2-O 3.44Å; R41-E128 IonicContact CZ-OE1 2.73Å; R41-E128 IonicContact CZ-OE2 3.94Å; R41-E128 IonicContact NH1-OE1 3.51Å; R41-E128 PolarHBondContact NH1-OE1 3.04Å; R41-E128 IonicContact NH1-OE2 3.36Å; R41-E128 PolarHBondContact NH1-OE2 2.63Å; R41-E128 IonicContact NH2-OE1 3.83Å; R41-E128 IonicContact NH2-OE2 3.58Å; R41-E128 PolarHBondContact NH2-OE2 2.75Å
42Q98.2Very high97Very high124 Ų12459.3 Ų59.358%0.57932%0.316SS*.Hα-helixtrans-61.8-43.9178-173.2177.611.100111.8A38 E39 T45 L46A38-Q42 WeakPolarHBondContact O-CB 3.01Å; A38-Q42 PolarHBondContact O-N 2.98Å; E39-Q42 PolarHBondContact O-N 2.86Å; Q42-T45 PolarHBondContact O-N 2.9Å; Q42-L46 HydrophobicContact CG-CD1 4.09Å; Q42-L46 WeakPolarHBondContact O-CB 3.3Å; Q42-L46 VanDerWaalsContact O-CG 3.29Å; Q42-L46 WeakPolarHBondContact O-CG 3.28Å; Q42-L46 PolarHBondContact O-N 3.39Å
43Y98.3Very high97.2Very high43 Ų4360.2 Ų60.217%0.16933%0.326CS..Hα-helixtrans-56.8-52.3173.9-176.4-76.7000111.1P29 P30 W31 P32 E39 Q40 R41 T45 L46 E47P29-Y43 HydrophobicContact CG-CD2 3.99Å; P29-Y43 HydrophobicContact CG-CE2 4.31Å; P29-Y43 WeakPolarHBondContact O-CE2 3.45Å; P30-Y43 VanDerWaalsContact C-CE2 3.49Å; P30-Y43 WeakPolarHBondContact O-CE2 3.35Å; W31-Y43 HydrophobicContact CB-CE2 4.38Å; W31-Y43 AromaticContact CE3-CD1 3.37Å; W31-Y43 HydrophobicContact CE3-CD1 3.37Å; W31-Y43 HydrophobicContact CE3-CD2 4.37Å; W31-Y43 AromaticContact CE3-CE1 3.61Å; W31-Y43 HydrophobicContact CE3-CE1 3.61Å; W31-Y43 AromaticContact CE3-CG 3.8Å; W31-Y43 HydrophobicContact CE3-CG 3.8Å; W31-Y43 AromaticContact CZ3-CD1 3.61Å; W31-Y43 HydrophobicContact CZ3-CD1 3.61Å; W31-Y43 HydrophobicContact CZ3-CE1 4.22Å; W31-Y43 HydrophobicContact CZ3-CG 4.1Å; P32-Y43 VanDerWaalsContact CD-CD2 3.42Å; P32-Y43 HydrophobicContact CG-CD2 4.36Å; P32-Y43 HydrophobicContact CG-CG 4.45Å; E39-Y43 WeakPolarHBondContact O-CB 3.38Å; E39-Y43 PolarHBondContact O-N 2.05Å; Q40-Y43 PolarHBondContact O-N 2.91Å; R41-Y43 PolarHBondContact O-N 3.34Å; Y43-T45 VanDerWaalsContact C-N 3.31Å; Y43-T45 PolarHBondContact O-N 3.17Å; Y43-L46 PolarHBondContact O-N 2.86Å; Y43-L46 VanDerWaalsContact O-N 3.15Å; Y43-E47 HydrophobicContact CD1-CB 4.25Å; Y43-E47 HydrophobicContact CE1-CB 3.96Å; Y43-E47 HydrophobicContact CE1-CG 4.18Å; Y43-E47 WeakPolarHBondContact O-CB 3.17Å; Y43-E47 PolarHBondContact O-N 3.18Å
44Y98.4Very high97.4Very high27 Ų2760.3 Ų60.311%0.10633%0.334CS..Hα-helixtrans-59.5-42.9-177.1-172.8-95.3000111.4Q40 R41 R48 L97 T102Q40-Y44 WeakPolarHBondContact O-CB 3.4Å; Q40-Y44 PolarHBondContact O-N 3.41Å; R41-Y44 PolarHBondContact O-N 3.06Å; Y44-R48 HydrophobicContact CD1-CG 4.18Å; Y44-R48 HydrophobicContact CE1-CG 3.86Å; Y44-R48 HydrophobicContact CE2-CG 4.3Å; Y44-R48 VanDerWaalsContact O-CB 3.29Å; Y44-R48 WeakPolarHBondContact O-CB 3.36Å; Y44-R48 WeakPolarHBondContact O-CG 3.38Å; Y44-R48 PolarHBondContact O-N 3.48Å; Y44-R48 PolarHBondContact OH-NE 2.63Å; Y44-L97 HydrophobicContact CD1-CB 4.08Å; Y44-L97 HydrophobicContact CD2-CB 4.45Å; Y44-L97 HydrophobicContact CD2-CD1 3.9Å; Y44-L97 HydrophobicContact CG-CB 4.06Å; Y44-L97 HydrophobicContact CG-CD1 4.09Å; Y44-T102 HydrophobicContact CD1-CG2 3.84Å; Y44-T102 HydrophobicContact CE1-CG2 3.92Å
45T98.5Very high97.8Very high46 Ų4654.2 Ų54.228%0.28230%0.299SS..Hα-helixtrans-62.2-45.7174.3-58.40000112.6R41 Q42 Y43 R48 R49 N99 T102R41-T45 PolarHBondContact O-N 3.37Å; R41-T45 PolarHBondContact O-OG1 3.47Å; R41-T45 VanDerWaalsContact O-OG1 3.13Å; Q42-T45 PolarHBondContact O-N 2.9Å; Y43-T45 VanDerWaalsContact C-N 3.31Å; Y43-T45 PolarHBondContact O-N 3.17Å; T45-R48 PolarHBondContact O-N 3.16Å; T45-R49 PolarHBondContact O-N 3.39Å; T45-N99 PolarHBondContact OG1-ND2 3.35Å; T45-T102 HydrophobicContact CG2-CG2 4.47Å
46L97.9Very high98Very high53 Ų5354.7 Ų54.728%0.27730%0.297SS..Hα-helixtrans-65.1-43.1-179.8-72.5172.9000112.1L28 Q42 Y43 R49L28-L46 HydrophobicContact CD2-CB 3.7Å; Q42-L46 HydrophobicContact CG-CD1 4.09Å; Q42-L46 WeakPolarHBondContact O-CB 3.3Å; Q42-L46 VanDerWaalsContact O-CG 3.29Å; Q42-L46 WeakPolarHBondContact O-CG 3.28Å; Q42-L46 PolarHBondContact O-N 3.39Å; Y43-L46 PolarHBondContact O-N 2.86Å; Y43-L46 VanDerWaalsContact O-N 3.15Å; L46-R49 WeakPolarHBondContact O-CB 3.31Å; L46-R49 PolarHBondContact O-N 3.01Å
47E98.1Very high98.1Very high30 Ų3060 Ų6014%0.1432%0.316CS..Hα-helixtrans-64.8-42.5178.6-172.4-73.2158.300111.2Q25 L28 Y43 R49 W51Q25-E47 PolarHBondContact NE2-O 3.3Å; Q25-E47 PolarHBondContact NE2-OE1 2.7Å; Q25-E47 PolarHBondContact OE1-O 3.32Å; L28-E47 HydrophobicContact CD1-CB 3.75Å; L28-E47 HydrophobicContact CD1-CG 3.65Å; L28-E47 HydrophobicContact CD2-CB 4.13Å; Y43-E47 HydrophobicContact CD1-CB 4.25Å; Y43-E47 HydrophobicContact CE1-CB 3.96Å; Y43-E47 HydrophobicContact CE1-CG 4.18Å; Y43-E47 WeakPolarHBondContact O-CB 3.17Å; Y43-E47 PolarHBondContact O-N 3.18Å; E47-R49 VanDerWaalsContact C-N 3.25Å; E47-R49 PolarHBondContact O-N 2.91Å; E47-W51 PolarHBondContact OE1-NE1 2.96Å
48R98.3Very high98.2Very high22 Ų2259.4 Ų59.48%0.08331%0.313CS..Hα-helixtrans-71.7-18.1-178.6-70.9-70.2178.7-110.95113.6Y44 T45 F50 W51 N52 T102Y44-R48 HydrophobicContact CD1-CG 4.18Å; Y44-R48 HydrophobicContact CE1-CG 3.86Å; Y44-R48 HydrophobicContact CE2-CG 4.3Å; Y44-R48 VanDerWaalsContact O-CB 3.29Å; Y44-R48 WeakPolarHBondContact O-CB 3.36Å; Y44-R48 WeakPolarHBondContact O-CG 3.38Å; Y44-R48 PolarHBondContact O-N 3.48Å; Y44-R48 PolarHBondContact OH-NE 2.63Å; T45-R48 PolarHBondContact O-N 3.16Å; R48-F50 VanDerWaalsContact C-N 3.31Å; R48-F50 PolarHBondContact O-N 2.92Å; R48-W51 PolarHBondContact O-N 2.9Å; R48-W51 VanDerWaalsContact O-N 3.16Å; R48-N52 PolarHBondContact O-N 3.02Å; R48-N52 PolarHBondContact O-ND2 3.43Å; R48-T102 HydrophobicContact CB-CG2 3.99Å; R48-T102 HydrophobicContact CG-CG2 4.35Å
49R98.1Very high98.3Very high173 Ų17359 Ų5965%0.65331%0.31SS*.Hα-helixtrans-58.4-39.7-179.9-172.817160.8-179.1-0.1112.8T45 L46 E47 W51 N52 A53T45-R49 PolarHBondContact O-N 3.39Å; L46-R49 WeakPolarHBondContact O-CB 3.31Å; L46-R49 PolarHBondContact O-N 3.01Å; E47-R49 VanDerWaalsContact C-N 3.25Å; E47-R49 PolarHBondContact O-N 2.91Å; R49-W51 VanDerWaalsContact C-N 3.34Å; R49-W51 PolarHBondContact O-N 3.37Å; R49-N52 PolarHBondContact O-N 3.27Å; R49-A53 PolarHBondContact O-N 3.44Å
50F97.8Very high98.3Very high72 Ų7256.8 Ų56.832%0.31630%0.303SS..Hα-helixtrans-62.4-41.9177.6173.9-103.3000112.2T23 R48 N52 A53 M300T23-F50 HydrophobicContact CG2-CE1 3.91Å; T23-F50 HydrophobicContact CG2-CZ 4.2Å; R48-F50 VanDerWaalsContact C-N 3.31Å; R48-F50 PolarHBondContact O-N 2.92Å; F50-N52 VanDerWaalsContact C-N 3.29Å; F50-N52 PolarHBondContact O-N 3.45Å; F50-A53 WeakPolarHBondContact O-CB 3.35Å; F50-A53 PolarHBondContact O-N 2.96Å; F50-M300 HydrophobicContact CE1-SD 4.33Å
51W98.4Very high98.3Very high6 Ų662.1 Ų62.12%0.02332%0.322CS..Hα-helixtrans-70.5-26.7-178.3-56.4118.6000112.7V20 T23 E47 R48 R49 R105 H296 Y297 R299 M300V20-W51 HydrophobicContact CG1-CH2 3.84Å; V20-W51 HydrophobicContact CG1-CZ2 4.11Å; V20-W51 HydrophobicContact CG1-CZ3 4.43Å; T23-W51 HydrophobicContact CG2-CH2 4.02Å; T23-W51 HydrophobicContact CG2-CZ2 4.45Å; E47-W51 PolarHBondContact OE1-NE1 2.96Å; R48-W51 PolarHBondContact O-N 2.9Å; R48-W51 VanDerWaalsContact O-N 3.16Å; R49-W51 VanDerWaalsContact C-N 3.34Å; R49-W51 PolarHBondContact O-N 3.37Å; W51-R105 WeakPolarHBondContact O-CD 3.45Å; W51-H296 HydrophobicContact CB-CB 4.29Å; W51-Y297 AromaticContact CD2-CD1 3.61Å; W51-Y297 HydrophobicContact CD2-CD1 3.61Å; W51-Y297 AromaticContact CD2-CE1 3.85Å; W51-Y297 HydrophobicContact CD2-CE1 3.85Å; W51-Y297 AromaticContact CE2-CD1 3.94Å; W51-Y297 AromaticContact CE2-CE1 3.76Å; W51-Y297 AromaticContact CE3-CD1 3.66Å; W51-Y297 HydrophobicContact CE3-CD1 3.66Å; W51-Y297 HydrophobicContact CE3-CE1 4.33Å; W51-Y297 HydrophobicContact CG-CD1 4.07Å; W51-Y297 HydrophobicContact CG-CE1 4.11Å; W51-Y297 HydrophobicContact CH2-CD1 4.35Å; W51-Y297 HydrophobicContact CZ2-CD1 4.32Å; W51-Y297 HydrophobicContact CZ2-CE1 4.21Å; W51-Y297 HydrophobicContact CZ3-CD1 4.02Å; W51-Y297 AromaticContact NE1-CE1 3.9Å; W51-R299 HydrophobicContact CE3-CG 4.42Å; W51-M300 HydrophobicContact CH2-SD 4.08Å; W51-M300 HydrophobicContact CZ3-CG 4.46Å; W51-M300 HydrophobicContact CZ3-SD 3.59Å; W51-M300 VanDerWaalsContact CZ3-SD 3.59Å
52N98.6Very high98.3Very high17 Ų1762.9 Ų62.99%0.09134%0.338CS..THydrogen-bonded Turntrans-84.9-5.4178.6-75.4-81.7000114.5R48 R49 F50 T102 D104 R105R48-N52 PolarHBondContact O-N 3.02Å; R48-N52 PolarHBondContact O-ND2 3.43Å; R49-N52 PolarHBondContact O-N 3.27Å; F50-N52 VanDerWaalsContact C-N 3.29Å; F50-N52 PolarHBondContact O-N 3.45Å; N52-T102 PolarHBondContact ND2-O 3.49Å; N52-D104 PolarHBondContact OD1-N 3.17Å; N52-R105 HydrophobicContact CB-CB 4.16Å; N52-R105 VanDerWaalsContact OD1-CB 3.31Å; N52-R105 WeakPolarHBondContact OD1-CB 3.21Å; N52-R105 PolarHBondContact OD1-N 3.03Å
53A97.8Very high98.3Very high48 Ų4860.3 Ų60.340%0.39732%0.324SS..THydrogen-bonded Turntrans-60.3148.7177.400000112.8R49 F50 A55 R105R49-A53 PolarHBondContact O-N 3.44Å; F50-A53 WeakPolarHBondContact O-CB 3.35Å; F50-A53 PolarHBondContact O-N 2.96Å; A53-A55 VanDerWaalsContact C-N 3.29Å; A53-A55 PolarHBondContact O-N 2.94Å; A53-R105 PolarHBondContact O-NH1 2.86Å
54G97.8Very high98.3Very high73 Ų7363.5 Ų63.575%0.75334%0.342SS*.THydrogen-bonded Turntrans65.728176.600000114.2R105G54-R105 PolarHBondContact O-NH1 3.38Å
55A98.4Very high98.4Very high22 Ų2262.2 Ų62.218%0.18234%0.337CS..PPolyproline II helixtrans-64.7151.7174.600000111.6A53 E57 R105 R108A53-A55 VanDerWaalsContact C-N 3.29Å; A53-A55 PolarHBondContact O-N 2.94Å; A55-E57 PolarHBondContact O-N 3.22Å; A55-R105 HydrophobicContact CB-CB 3.9Å; A55-R105 HydrophobicContact CB-CG 4.08Å; A55-R108 HydrophobicContact CB-CB 4.4Å; A55-R108 VanDerWaalsContact CB-CD 3.49Å
56P98.4Very high98.4Very high31 Ų3162.8 Ų62.820%0.20134%0.341CS..PPolyproline II helixtrans-56.8131.5177.6-25.732.7000113.8M58 R108 L109 S112P56-M58 HydrophobicContact CB-CE 3.89Å; P56-R108 HydrophobicContact CB-CB 4.29Å; P56-R108 HydrophobicContact CG-CB 4.25Å; P56-R108 WeakPolarHBondContact O-CD 3.21Å; P56-R108 PolarHBondContact O-NH1 2.93Å; P56-L109 HydrophobicContact CG-CD2 3.62Å; P56-L109 HydrophobicContact CG-CG 4.17Å; P56-S112 VanDerWaalsContact CB-OG 3.3Å; P56-S112 WeakPolarHBondContact CB-OG 3.4Å; P56-S112 WeakPolarHBondContact CG-OG 3.5Å
57E98.5Very high98.4Very high192 Ų19261.3 Ų61.390%0.89733%0.334SS*.PPolyproline II helixtrans-79.4131.7171.1-65-177-116.700110.2A55A55-E57 PolarHBondContact O-N 3.22Å
58M98.5Very high98.4Very high38 Ų3866.6 Ų66.619%0.18736%0.357CS..  trans-160.6175.3177.766.3-174.273.600110.5P56 T60 F77 R108 A111 S112P56-M58 HydrophobicContact CB-CE 3.89Å; M58-T60 HydrophobicContact CG-CG2 4.25Å; M58-T60 PolarHBondContact O-N 3.14Å; M58-F77 HydrophobicContact SD-CB 3.74Å; M58-R108 HydrophobicContact CE-CB 4Å; M58-R108 HydrophobicContact CE-CG 4.34Å; M58-R108 WeakPolarHBondContact CE-O 3.22Å; M58-A111 HydrophobicContact CE-CB 4Å; M58-A111 HydrophobicContact SD-CB 3.7Å; M58-S112 VanDerWaalsContact CE-OG 3.26Å; M58-S112 WeakPolarHBondContact CE-OG 3.29Å
59A98.5Very high98.4Very high50 Ų5069.9 Ų69.941%0.41337%0.37SS..EExtended strand (participates in β ladder)trans-64.9125174.500000110.2C78A59-C78 HydrophobicContact CB-CB 4.14Å; A59-C78 PolarHBondContact O-N 3.44Å
60T98.7Very high98.5Very high47 Ų4763.3 Ų63.329%0.28836%0.356SS..EExtended strand (participates in β ladder)trans-129.3145.5178.455.20000112M58 L76 F77M58-T60 HydrophobicContact CG-CG2 4.25Å; M58-T60 PolarHBondContact O-N 3.14Å; T60-L76 CarbonylContact C-O 3.5Å; T60-L76 WeakPolarHBondContact CA-O 3.19Å; T60-F77 HydrophobicContact CG2-CD1 3.5Å; T60-F77 VanDerWaalsContact CG2-CD1 3.5Å; T60-F77 HydrophobicContact CG2-CE1 4.05Å; T60-F77 HydrophobicContact CG2-CG 4.38Å
61R98.5Very high98.5Very high141 Ų14165.6 Ų65.653%0.53237%0.368SS..EExtended strand (participates in β ladder)trans-138.1148.9176.9-60.2-65.9179.7-93.4-0.9109.4Y63 R75 L76R61-Y63 HydrophobicContact CB-CD2 4.26Å; R61-Y63 HydrophobicContact CB-CE2 3.47Å; R61-Y63 VanDerWaalsContact CB-CE2 3.47Å; R61-Y63 HydrophobicContact CG-CE2 4.28Å; R61-R75 CarbonylContact O-C 3.58Å; R61-R75 WeakPolarHBondContact O-CA 3.24Å; R61-L76 HydrophobicContact CB-CB 4.48Å; R61-L76 PolarHBondContact N-O 2.8Å; R61-L76 PolarHBondContact O-N 2.91Å
62A98.5Very high98.5Very high65 Ų6565.6 Ų65.654%0.53737%0.368SS..EExtended strand (participates in β ladder)trans-118.2134.8173.400000108.9T74A62-T74 CarbonylContact C-O 3.52Å; A62-T74 VanDerWaalsContact CA-O 3.3Å; A62-T74 WeakPolarHBondContact CA-O 3.19Å
63Y98.7Very high98.5Very high71 Ų7167.6 Ų67.628%0.27838%0.377SS..EExtended strand (participates in β ladder)trans-136.2139.9-179.1-60.8-66.4000110.4R61 T74 L76 Y152R61-Y63 HydrophobicContact CB-CD2 4.26Å; R61-Y63 HydrophobicContact CB-CE2 3.47Å; R61-Y63 VanDerWaalsContact CB-CE2 3.47Å; R61-Y63 HydrophobicContact CG-CE2 4.28Å; Y63-T74 PolarHBondContact N-O 3.03Å; Y63-T74 PolarHBondContact O-N 3.24Å; Y63-T74 PolarHBondContact O-OG1 2.94Å; Y63-L76 HydrophobicContact CE2-CD1 4.23Å; Y63-Y152 HydrophobicContact CD1-CD1 4.35Å; Y63-Y152 AromaticContact CD1-CE1 3.57Å; Y63-Y152 HydrophobicContact CD1-CE1 3.57Å; Y63-Y152 AromaticContact CD2-CD1 3.78Å; Y63-Y152 HydrophobicContact CD2-CD1 3.78Å; Y63-Y152 AromaticContact CD2-CE1 3.59Å; Y63-Y152 HydrophobicContact CD2-CE1 3.59Å; Y63-Y152 HydrophobicContact CE1-CD1 4.07Å; Y63-Y152 AromaticContact CE1-CE1 3.63Å; Y63-Y152 HydrophobicContact CE1-CE1 3.63Å; Y63-Y152 AromaticContact CE2-CD1 3.48Å; Y63-Y152 HydrophobicContact CE2-CD1 3.48Å; Y63-Y152 VanDerWaalsContact CE2-CD1 3.48Å; Y63-Y152 AromaticContact CE2-CE1 3.67Å; Y63-Y152 HydrophobicContact CE2-CE1 3.67Å; Y63-Y152 HydrophobicContact CG-CD1 4.21Å; Y63-Y152 AromaticContact CG-CE1 3.53Å; Y63-Y152 HydrophobicContact CG-CE1 3.53Å; Y63-Y152 AromaticContact CZ-CD1 3.62Å; Y63-Y152 AromaticContact CZ-CE1 3.67Å
64M98.7Very high98.6Very high109 Ų10965.3 Ų65.354%0.53736%0.358SS..EExtended strand (participates in β ladder)trans-89.2122.2168.8-69.7-65.5174.100108.4Q71 E73M64-Q71 HydrophobicContact CB-CB 4.24Å; M64-Q71 HydrophobicContact SD-CB 4.3Å; M64-E73 HydrophobicContact CE-CB 3.94Å; M64-E73 HydrophobicContact CE-CG 4.16Å; M64-E73 HydrophobicContact SD-CB 3.97Å
65V98.7Very high98.6Very high0 Ų063.8 Ų63.80%033%0.33CS..EExtended strand (participates in β ladder)trans-109.8127.9-176.2177.30000109.8Q71 V72 T74 A141 Y144 F145V65-Q71 VanDerWaalsContact C-OE1 3.3Å; V65-Q71 WeakPolarHBondContact O-CA 3.44Å; V65-Q71 PolarHBondContact O-OE1 2.63Å; V65-V72 PolarHBondContact N-O 3Å; V65-V72 PolarHBondContact O-N 3.33Å; V65-T74 HydrophobicContact CB-CG2 4.25Å; V65-T74 HydrophobicContact CG2-CG2 3.73Å; V65-A141 HydrophobicContact CB-CB 4.48Å; V65-A141 HydrophobicContact CG1-CB 3.93Å; V65-Y144 HydrophobicContact CB-CD1 4.28Å; V65-Y144 HydrophobicContact CG1-CD1 3.46Å; V65-Y144 VanDerWaalsContact CG1-CD1 3.46Å; V65-Y144 HydrophobicContact CG1-CD2 4.44Å; V65-Y144 HydrophobicContact CG1-CE1 4.15Å; V65-Y144 HydrophobicContact CG1-CG 3.62Å; V65-Y144 HydrophobicContact CG2-CD1 3.97Å; V65-Y144 HydrophobicContact CG2-CE1 4.11Å; V65-F145 HydrophobicContact CG2-CE2 3.84Å; V65-F145 HydrophobicContact CG2-CZ 3.83Å
66P98.6Very high98.6Very high58 Ų5862.9 Ų62.938%0.37732%0.322SS..EExtended strand (participates in β ladder)trans-72.8134.8-178.828.4-34.9000111.8Y144P66-Y144 HydrophobicContact CG-CD2 3.96Å; P66-Y144 HydrophobicContact CG-CE2 3.87Å
67T98.7Very high98.7Very high22 Ų2261.4 Ų61.414%0.13531%0.312CS..EExtended strand (participates in β ladder)trans-129173.6170.978.70000109.8Y69 G70 V72 E137 A140T67-Y69 PolarHBondContact O-N 3.03Å; T67-Y69 VanDerWaalsContact O-N 3.16Å; T67-Y69 PolarHBondContact OG1-N 3.33Å; T67-G70 PolarHBondContact N-O 3.18Å; T67-G70 PolarHBondContact O-N 2.82Å; T67-G70 PolarHBondContact OG1-N 2.89Å; T67-G70 PolarHBondContact OG1-O 3.28Å; T67-V72 HydrophobicContact CG2-CB 4.19Å; T67-V72 HydrophobicContact CG2-CG2 3.68Å; T67-E137 HydrophobicContact CG2-CB 4.3Å; T67-E137 HydrophobicContact CG2-CG 4.23Å; T67-A140 HydrophobicContact CG2-CB 3.94Å
68K98.6Very high98.7Very high141 Ų14153.9 Ų53.961%0.61328%0.281SS*.THydrogen-bonded Turntrans-62.5-15.7171.863.8-178.2-92.9-157.70113.7E136K68-E136 IonicContact NZ-OE1 3.33Å; K68-E136 PolarHBondContact NZ-OE1 3.3Å; K68-E136 IonicContact NZ-OE2 2.67Å; K68-E136 PolarHBondContact NZ-OE2 3Å
69Y98.7Very high98.7Very high92 Ų9253.6 Ų53.636%0.36128%0.281SS..THydrogen-bonded Turntrans-102.1-6-177.4-62.1-73.9000113.7T67 Q133 E136 E137T67-Y69 PolarHBondContact O-N 3.03Å; T67-Y69 VanDerWaalsContact O-N 3.16Å; T67-Y69 PolarHBondContact OG1-N 3.33Å; Y69-Q133 HydrophobicContact CD1-CG 4Å; Y69-Q133 HydrophobicContact CD2-CG 3.67Å; Y69-Q133 HydrophobicContact CE1-CB 4.36Å; Y69-Q133 HydrophobicContact CE1-CG 4.06Å; Y69-Q133 HydrophobicContact CE2-CB 4.09Å; Y69-Q133 HydrophobicContact CE2-CG 3.72Å; Y69-Q133 HydrophobicContact CG-CG 3.8Å; Y69-E136 HydrophobicContact CE2-CB 3.9Å; Y69-E136 WeakPolarHBondContact CE2-OE2 3.37Å; Y69-E136 PolarHBondContact OH-OE2 2.62Å; Y69-E137 HydrophobicContact CD2-CG 3.94Å
70G98.5Very high98.7Very high35 Ų3554.2 Ų54.236%0.36128%0.276SS..EExtended strand (participates in β ladder)trans126.3-164.5-17300000111.8T67T67-G70 PolarHBondContact N-O 3.18Å; T67-G70 PolarHBondContact O-N 2.82Å; T67-G70 PolarHBondContact OG1-N 2.89Å; T67-G70 PolarHBondContact OG1-O 3.28Å
71Q98.7Very high98.6Very high120 Ų12057.5 Ų57.556%0.56130%0.298SS*.EExtended strand (participates in β ladder)trans-82.2134.9176.2-59.2-61.9-32.300109.8M64 V65M64-Q71 HydrophobicContact CB-CB 4.24Å; M64-Q71 HydrophobicContact SD-CB 4.3Å; V65-Q71 VanDerWaalsContact C-OE1 3.3Å; V65-Q71 WeakPolarHBondContact O-CA 3.44Å; V65-Q71 PolarHBondContact O-OE1 2.63Å
72V98.7Very high98.5Very high5 Ų557.1 Ų57.13%0.0331%0.307CS..EExtended strand (participates in β ladder)trans-112.2129.6172.2172.40000108.4V65 T67 I121 E137V65-V72 PolarHBondContact N-O 3Å; V65-V72 PolarHBondContact O-N 3.33Å; T67-V72 HydrophobicContact CG2-CB 4.19Å; T67-V72 HydrophobicContact CG2-CG2 3.68Å; V72-I121 HydrophobicContact CG1-CG2 3.71Å; V72-E137 HydrophobicContact CG2-CB 4.02Å; V72-E137 HydrophobicContact CG2-CG 3.8Å
73E98.8Very high98.5Very high60 Ų6054.5 Ų54.528%0.2828%0.284SS..EExtended strand (participates in β ladder)trans-71.1136.6176.1-175.6177.1157.900109.8M64 R75 L100 D122M64-E73 HydrophobicContact CE-CB 3.94Å; M64-E73 HydrophobicContact CE-CG 4.16Å; M64-E73 HydrophobicContact SD-CB 3.97Å; E73-R75 IonicContact OE1-NH2 3.34Å; E73-L100 HydrophobicContact CG-CD1 4.09Å; E73-D122 HydrophobicContact CB-CB 4.02Å; E73-D122 WeakPolarHBondContact O-CB 3.46Å; E73-D122 PolarHBondContact O-N 3.35Å
74T98.9Very high98.5Very high0 Ų052.8 Ų52.80%028%0.282CS..EExtended strand (participates in β ladder)trans-129.6145.3173.264.20000109.5A62 Y63 V65 G120 I121 F145A62-T74 CarbonylContact C-O 3.52Å; A62-T74 VanDerWaalsContact CA-O 3.3Å; A62-T74 WeakPolarHBondContact CA-O 3.19Å; Y63-T74 PolarHBondContact N-O 3.03Å; Y63-T74 PolarHBondContact O-N 3.24Å; Y63-T74 PolarHBondContact O-OG1 2.94Å; V65-T74 HydrophobicContact CB-CG2 4.25Å; V65-T74 HydrophobicContact CG2-CG2 3.73Å; T74-G120 CarbonylContact C-O 3.48Å; T74-G120 VanDerWaalsContact CA-O 3.24Å; T74-G120 WeakPolarHBondContact CA-O 3.33Å; T74-I121 HydrophobicContact CG2-CG1 4.31Å; T74-F145 HydrophobicContact CG2-CE2 4.09Å
75R98.9Very high98.5Very high40 Ų4047.6 Ų47.615%0.15126%0.256CS..EExtended strand (participates in β ladder)trans-128.1122.7177.1-169.7-178.2-57.2167.80.9110.3R61 E73 F77 L100 D101 D104 I119 G120R61-R75 CarbonylContact O-C 3.58Å; R61-R75 WeakPolarHBondContact O-CA 3.24Å; E73-R75 IonicContact OE1-NH2 3.34Å; R75-F77 HydrophobicContact CB-CE2 4.42Å; R75-F77 HydrophobicContact CB-CZ 4.4Å; R75-F77 HydrophobicContact CG-CE1 4.28Å; R75-F77 HydrophobicContact CG-CE2 4.27Å; R75-F77 HydrophobicContact CG-CZ 3.89Å; R75-F77 WeakPolarHBondContact O-CE2 3.14Å; R75-L100 HydrophobicContact CB-CD1 3.74Å; R75-D101 IonicContact CZ-OD1 3.04Å; R75-D101 IonicContact NH1-OD1 3.92Å; R75-D101 PolarHBondContact NH1-OD1 3.33Å; R75-D101 IonicContact NH2-OD1 2.7Å; R75-D101 PolarHBondContact NH2-OD1 3Å; R75-D104 IonicContact NH1-OD1 2.75Å; R75-I119 CarbonylContact O-C 3.6Å; R75-I119 WeakPolarHBondContact O-CA 3.39Å; R75-G120 PolarHBondContact N-O 2.8Å; R75-G120 PolarHBondContact O-N 2.99Å
76L98.8Very high98.5Very high4 Ų447.6 Ų47.62%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-104.8131.4-171.3-164.5158.9000108.9T60 R61 Y63 C78 T117 V118 I119 I154T60-L76 CarbonylContact C-O 3.5Å; T60-L76 WeakPolarHBondContact CA-O 3.19Å; R61-L76 HydrophobicContact CB-CB 4.48Å; R61-L76 PolarHBondContact N-O 2.8Å; R61-L76 PolarHBondContact O-N 2.91Å; Y63-L76 HydrophobicContact CE2-CD1 4.23Å; L76-C78 HydrophobicContact CD2-CB 4.44Å; L76-C78 WeakPolarHBondContact CD2-SG 3.34Å; L76-T117 HydrophobicContact CD1-CG2 4.23Å; L76-T117 HydrophobicContact CD2-CG2 3.41Å; L76-T117 VanDerWaalsContact CD2-CG2 3.41Å; L76-T117 HydrophobicContact CG-CG2 3.6Å; L76-V118 CarbonylContact C-O 3.46Å; L76-V118 WeakPolarHBondContact CA-O 3.41Å; L76-I119 HydrophobicContact CB-CG1 4.29Å; L76-I119 HydrophobicContact CD1-CD1 3.91Å; L76-I119 HydrophobicContact CD1-CG1 4.06Å; L76-I119 HydrophobicContact CG-CD1 4.23Å; L76-I119 HydrophobicContact CG-CG1 3.8Å; L76-I154 HydrophobicContact CD1-CG2 3.9Å
77F98.9Very high98.6Very high0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-118.4108.6179.7-53.1-87.4000108.9M58 T60 R75 P79 D104 M107 R108 A111 T117 V118M58-F77 HydrophobicContact SD-CB 3.74Å; T60-F77 HydrophobicContact CG2-CD1 3.5Å; T60-F77 VanDerWaalsContact CG2-CD1 3.5Å; T60-F77 HydrophobicContact CG2-CE1 4.05Å; T60-F77 HydrophobicContact CG2-CG 4.38Å; R75-F77 HydrophobicContact CB-CE2 4.42Å; R75-F77 HydrophobicContact CB-CZ 4.4Å; R75-F77 HydrophobicContact CG-CE1 4.28Å; R75-F77 HydrophobicContact CG-CE2 4.27Å; R75-F77 HydrophobicContact CG-CZ 3.89Å; R75-F77 WeakPolarHBondContact O-CE2 3.14Å; F77-P79 WeakPolarHBondContact O-CD 3.37Å; F77-D104 WeakPolarHBondContact CE1-OD1 3.43Å; F77-M107 HydrophobicContact CD2-CB 3.95Å; F77-M107 HydrophobicContact CE2-CB 3.56Å; F77-M107 HydrophobicContact CE2-CE 3.87Å; F77-M107 HydrophobicContact CE2-CG 4.23Å; F77-M107 HydrophobicContact CE2-SD 3.69Å; F77-M107 HydrophobicContact CZ-CB 4Å; F77-M107 HydrophobicContact CZ-CE 3.86Å; F77-M107 HydrophobicContact CZ-SD 4.31Å; F77-R108 HydrophobicContact CD1-CG 3.58Å; F77-R108 HydrophobicContact CE1-CG 3.68Å; F77-R108 HydrophobicContact CG-CG 4.47Å; F77-A111 HydrophobicContact CB-CB 4.04Å; F77-T117 WeakPolarHBondContact O-CA 3.49Å; F77-V118 HydrophobicContact CB-CB 4.35Å; F77-V118 HydrophobicContact CD2-CB 4.17Å; F77-V118 HydrophobicContact CD2-CG1 4.15Å; F77-V118 WeakPolarHBondContact CD2-O 3.25Å; F77-V118 PolarHBondContact N-O 3.1Å; F77-V118 PolarHBondContact O-N 2.87Å
78C98.7Very high98.6Very high34 Ų3443.8 Ų43.823%0.2323%0.232CC..EExtended strand (participates in β ladder)trans-101.9105.8-179.9-71.20000110.8A59 L76A59-C78 HydrophobicContact CB-CB 4.14Å; A59-C78 PolarHBondContact O-N 3.44Å; L76-C78 HydrophobicContact CD2-CB 4.44Å; L76-C78 WeakPolarHBondContact CD2-SG 3.34Å
79P98.5Very high98.6Very high31 Ų3137.1 Ų37.120%0.20120%0.203CC..SBendtrans-76.5-26.8176.532-35.5000112.7F77 A111 Q115 C116F77-P79 WeakPolarHBondContact O-CD 3.37Å; P79-A111 WeakPolarHBondContact CB-O 3.07Å; P79-A111 HydrophobicContact CG-CB 4.34Å; P79-A111 WeakPolarHBondContact CG-O 3.43Å; P79-Q115 VanDerWaalsContact CG-C 3.5Å; P79-C116 VanDerWaalsContact CD-O 3.32Å; P79-C116 WeakPolarHBondContact CD-O 3.43Å; P79-C116 WeakPolarHBondContact CG-O 3.49Å
80Q98.3Very high98.6Very high63 Ų6332.7 Ų32.729%0.29419%0.185SC..SBendtrans-153159.2178.958.9151.4-20.300110.7D82 Q115Q80-D82 PolarHBondContact NE2-O 2.85Å; Q80-Q115 PolarHBondContact NE2-O 3.33Å
81P96.9Very high98.6Very high117 Ų11731.2 Ų31.276%0.7617%0.169SC*.SBendtrans-69.1-36.317926.2-34.5000113.7S83P81-S83 VanDerWaalsContact C-N 3.34Å; P81-S83 PolarHBondContact O-N 3.17Å
82D97.5Very high98.6Very high133 Ų13325.5 Ų25.571%0.71114%0.142SC*.SBendtrans-96.154.3-173.2-60.8-38.3000111.8Q80Q80-D82 PolarHBondContact NE2-O 2.85Å
83S98.4Very high98.6Very high9 Ų925.8 Ų25.86%0.06315%0.147CC..  trans-59.9127.3-178.6-172.90000111.7P81 A85 C116 T117 N155P81-S83 VanDerWaalsContact C-N 3.34Å; P81-S83 PolarHBondContact O-N 3.17Å; S83-A85 VanDerWaalsContact C-N 3.31Å; S83-A85 PolarHBondContact O-N 3.14Å; S83-A85 PolarHBondContact OG-O 2.77Å; S83-C116 VanDerWaalsContact OG-CA 3.3Å; S83-C116 WeakPolarHBondContact OG-CA 3.34Å; S83-T117 WeakPolarHBondContact CB-OG1 3.4Å; S83-T117 PolarHBondContact OG-N 3.41Å; S83-T117 PolarHBondContact OG-OG1 2.82Å; S83-N155 WeakPolarHBondContact O-CB 3.48Å; S83-N155 PolarHBondContact O-ND2 2.8Å
84P98.4Very high98.6Very high35 Ų3523.4 Ų23.423%0.22714%0.138CC..SBendtrans-76.8-17-178.530.6-35.4000113.7N155 R158 L319P84-N155 PolarHBondContact O-ND2 2.86Å; P84-N155 VanDerWaalsContact O-ND2 3.1Å; P84-R158 PolarHBondContact O-NE 3.12Å; P84-R158 PolarHBondContact O-NH2 3.16Å; P84-L319 HydrophobicContact CB-CD1 4Å; P84-L319 HydrophobicContact CG-CD1 3.66Å
85A98.8Very high98.5Very high0 Ų023.6 Ų23.60%014%0.139CC..  trans-159.5173-178.300000111.2S83 N155 R158 F315 L319S83-A85 VanDerWaalsContact C-N 3.31Å; S83-A85 PolarHBondContact O-N 3.14Å; S83-A85 PolarHBondContact OG-O 2.77Å; A85-N155 CarbonylContact C-O 3.55Å; A85-R158 VanDerWaalsContact CA-O 3.26Å; A85-R158 WeakPolarHBondContact CA-O 3.29Å; A85-R158 HydrophobicContact CB-CB 3.92Å; A85-R158 VanDerWaalsContact CB-O 3.28Å; A85-R158 WeakPolarHBondContact CB-O 3.47Å; A85-F315 HydrophobicContact CB-CE1 3.99Å; A85-F315 HydrophobicContact CB-CZ 3.91Å; A85-L319 HydrophobicContact CB-CD1 3.88Å; A85-L319 HydrophobicContact CB-CD2 3.62Å; A85-L319 HydrophobicContact CB-CG 4.43Å
86T98.9Very high98.5Very high0 Ų021.9 Ų21.90%013%0.133CC..EExtended strand (participates in β ladder)trans-121.3126.6171.8-59.30000110.6F88 T117 I119 N155 M156 R158 I159 G160T86-F88 HydrophobicContact CG2-CE1 4.48Å; T86-F88 HydrophobicContact CG2-CE2 4.33Å; T86-F88 HydrophobicContact CG2-CZ 4.12Å; T86-T117 CarbonylContact C-O 3.48Å; T86-T117 WeakPolarHBondContact CA-O 3.32Å; T86-T117 HydrophobicContact CG2-CG2 4.38Å; T86-I119 HydrophobicContact CG2-CD1 3.53Å; T86-I119 HydrophobicContact CG2-CG1 3.85Å; T86-N155 PolarHBondContact N-O 2.51Å; T86-N155 PolarHBondContact OG1-O 2.76Å; T86-M156 HydrophobicContact CG2-SD 3.88Å; T86-R158 PolarHBondContact N-O 2.9Å; T86-R158 VanDerWaalsContact N-O 3.1Å; T86-I159 CarbonylContact O-C 3.58Å; T86-I159 WeakPolarHBondContact O-CA 3.43Å; T86-G160 PolarHBondContact O-N 2.79Å
87L99Very high98.5Very high0 Ų022 Ų220%013%0.134CC..EExtended strand (participates in β ladder)trans-107.7114.5-179-177.963.6000110.2T117 V118 I119 G160 A162 L192 F315L87-T117 PolarHBondContact N-O 2.95Å; L87-V118 HydrophobicContact CB-CG2 4.28Å; L87-V118 HydrophobicContact CD2-CG2 4.31Å; L87-V118 CarbonylContact O-C 3.45Å; L87-V118 VanDerWaalsContact O-CA 3.22Å; L87-V118 WeakPolarHBondContact O-CA 3.33Å; L87-I119 PolarHBondContact O-N 2.79Å; L87-G160 VanDerWaalsContact CD1-C 3.49Å; L87-A162 HydrophobicContact CD1-CB 3.84Å; L87-A162 HydrophobicContact CD2-CB 4.07Å; L87-A162 HydrophobicContact CG-CB 3.96Å; L87-L192 HydrophobicContact CD1-CD1 4.43Å; L87-L192 HydrophobicContact CD2-CD1 3.95Å; L87-F315 HydrophobicContact CB-CE1 4.22Å; L87-F315 HydrophobicContact CB-CZ 4.4Å; L87-F315 HydrophobicContact CD1-CD2 4.37Å; L87-F315 HydrophobicContact CD1-CE1 4.47Å; L87-F315 HydrophobicContact CD1-CE2 4.18Å; L87-F315 HydrophobicContact CD1-CZ 4.22Å
88F99Very high98.5Very high0 Ų022.3 Ų22.30%014%0.136CC..EExtended strand (participates in β ladder)trans-81.3128.6174.9-63.4-79.5000110.2T86 I119 I121 C142 F145 M156 I159 G160 F161 A162T86-F88 HydrophobicContact CG2-CE1 4.48Å; T86-F88 HydrophobicContact CG2-CE2 4.33Å; T86-F88 HydrophobicContact CG2-CZ 4.12Å; F88-I119 CarbonylContact C-O 3.46Å; F88-I119 VanDerWaalsContact CA-O 3.3Å; F88-I119 WeakPolarHBondContact CA-O 3.19Å; F88-I119 HydrophobicContact CD1-CB 3.81Å; F88-I119 HydrophobicContact CD1-CG2 4.05Å; F88-I119 HydrophobicContact CE1-CB 4Å; F88-I119 HydrophobicContact CE1-CD1 3.87Å; F88-I119 HydrophobicContact CE1-CG1 4.44Å; F88-I119 HydrophobicContact CE1-CG2 4.15Å; F88-I119 HydrophobicContact CZ-CD1 4.43Å; F88-I121 HydrophobicContact CB-CD1 4.37Å; F88-I121 HydrophobicContact CD1-CD1 3.79Å; F88-I121 HydrophobicContact CD1-CG1 4.31Å; F88-I121 HydrophobicContact CG-CD1 4.38Å; F88-C142 HydrophobicContact CE2-CB 4.11Å; F88-C142 VanDerWaalsContact CE2-SG 3.59Å; F88-C142 HydrophobicContact CZ-CB 4.14Å; F88-F145 AromaticContact CE1-CD2 3.83Å; F88-F145 HydrophobicContact CE1-CD2 3.83Å; F88-F145 HydrophobicContact CE1-CE2 4.48Å; F88-F145 HydrophobicContact CZ-CB 4.34Å; F88-F145 HydrophobicContact CZ-CD2 4.35Å; F88-M156 HydrophobicContact CE2-CE 3.79Å; F88-M156 HydrophobicContact CE2-SD 4.03Å; F88-M156 HydrophobicContact CZ-CE 3.63Å; F88-M156 HydrophobicContact CZ-SD 3.76Å; F88-I159 HydrophobicContact CE2-CB 4.28Å; F88-I159 HydrophobicContact CE2-CG2 4.21Å; F88-G160 PolarHBondContact N-O 2.87Å; F88-F161 HydrophobicContact CB-CD1 3.8Å; F88-F161 HydrophobicContact CB-CE1 4.02Å; F88-F161 HydrophobicContact CD2-CD1 4.38Å; F88-F161 AromaticContact CD2-CE1 3.98Å; F88-F161 HydrophobicContact CD2-CE1 3.98Å; F88-F161 HydrophobicContact CD2-CZ 4.34Å; F88-F161 HydrophobicContact CG-CD1 4.43Å; F88-F161 HydrophobicContact CG-CE1 4.19Å; F88-F161 CarbonylContact O-C 3.55Å; F88-F161 WeakPolarHBondContact O-CA 3.46Å; F88-A162 PolarHBondContact O-N 2.87Å
89Y99Very high98.5Very high1 Ų122.3 Ų22.30%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-108.3132.4177.3-166.4-85.8000111.4H91 H103 I106 M107 L110 I119 G120 I121 A162 D164 W194Y89-H91 HydrophobicContact CE1-CB 4.39Å; Y89-H103 HydrophobicContact CE1-CB 4.04Å; Y89-H103 AromaticContact CE1-CD2 3.89Å; Y89-I106 HydrophobicContact CD2-CG2 4.46Å; Y89-I106 HydrophobicContact CE1-CG2 4.34Å; Y89-I106 HydrophobicContact CE2-CG2 3.55Å; Y89-I106 WeakPolarHBondContact OH-CG2 3.42Å; Y89-M107 HydrophobicContact CD1-CG 3.51Å; Y89-M107 HydrophobicContact CD1-SD 3.77Å; Y89-M107 HydrophobicContact CD2-CG 4.21Å; Y89-M107 HydrophobicContact CE1-CG 4.22Å; Y89-M107 HydrophobicContact CG-CG 3.53Å; Y89-M107 HydrophobicContact CG-SD 4.05Å; Y89-L110 HydrophobicContact CD2-CD1 3.47Å; Y89-L110 VanDerWaalsContact CD2-CD1 3.47Å; Y89-L110 HydrophobicContact CE2-CD1 3.5Å; Y89-I119 PolarHBondContact N-O 3.34Å; Y89-G120 WeakPolarHBondContact O-CA 3.42Å; Y89-I121 PolarHBondContact O-N 3.42Å; Y89-A162 CarbonylContact C-O 3.57Å; Y89-A162 WeakPolarHBondContact CA-O 3.45Å; Y89-A162 HydrophobicContact CD2-CB 3.76Å; Y89-A162 HydrophobicContact CE2-CB 4.35Å; Y89-D164 PolarHBondContact OH-OD1 2.65Å; Y89-W194 AromaticContact CE2-CZ3 3.92Å; Y89-W194 HydrophobicContact CE2-CZ3 3.92Å
90L98.9Very high98.5Very high0 Ų021 Ų210%013%0.125CC..EExtended strand (participates in β ladder)trans-121.9114.3-176-53.9171.6000107.3I121 I138 F161 A162 G163 G167 L170 A171L90-I121 HydrophobicContact CD2-CB 4.17Å; L90-I121 HydrophobicContact CD2-CD1 4.22Å; L90-I138 HydrophobicContact CD1-CD1 3.83Å; L90-I138 HydrophobicContact CD1-CG2 4.31Å; L90-I138 HydrophobicContact CD2-CB 4.42Å; L90-I138 HydrophobicContact CD2-CD1 3.43Å; L90-I138 VanDerWaalsContact CD2-CD1 3.43Å; L90-I138 HydrophobicContact CD2-CG1 3.51Å; L90-I138 HydrophobicContact CD2-CG2 4.02Å; L90-I138 HydrophobicContact CG-CD1 4.21Å; L90-F161 HydrophobicContact CD1-CD1 4.41Å; L90-A162 PolarHBondContact N-O 2.9Å; L90-G163 WeakPolarHBondContact O-CA 3.44Å; L90-G167 VanDerWaalsContact O-CA 3.25Å; L90-G167 WeakPolarHBondContact O-CA 3.44Å; L90-L170 HydrophobicContact CB-CB 4.34Å; L90-L170 VanDerWaalsContact CD1-C 3.43Å; L90-L170 HydrophobicContact CD1-CB 3.75Å; L90-A171 HydrophobicContact CD1-CB 3.89Å
91H98.9Very high98.6Very high3 Ų322.2 Ų22.21%0.01413%0.134CC..  trans-75.5148.8-172.669.676.8000112.5Y89 L97 N99 H103 Y123Y89-H91 HydrophobicContact CE1-CB 4.39Å; H91-L97 PolarHBondContact CE1-O 3.41Å; H91-N99 PolarHBondContact CE1-N 3.08Å; H91-H103 HydrophobicContact CB-CB 4.13Å; H91-H103 WeakPolarHBondContact CB-ND1 3.39Å; H91-Y123 AromaticContact CD2-CE1 3.74Å; H91-Y123 AromaticContact CE1-CE1 3.83Å; H91-Y123 AromaticContact CE1-CZ 3.55Å; H91-Y123 PolarHBondContact CE1-OH 3.04Å; H91-Y123 AromaticContact ND1-CZ 3.97Å; H91-Y123 PolarHBondContact ND1-OH 3.02Å; H91-Y123 AromaticContact NE2-CE1 3.61Å; H91-Y123 AromaticContact NE2-CZ 3.76Å; H91-Y123 PolarHBondContact O-OH 3.33Å
92G98.7Very high98.7Very high0 Ų016.8 Ų16.80%010%0.098CC..  trans-72.1-171168.800000113.3H103 D164G92-H103 PolarHBondContact N-NE2 3.09Å; G92-D164 WeakPolarHBondContact CA-O 3.48Å; G92-D164 PolarHBondContact N-O 3.42Å; G92-D164 PolarHBondContact N-OD1 3.16Å
93G98.3Very high98.7Very high12 Ų1210.4 Ų10.412%0.1246%0.064CC..SBendtrans121.625.1-178.500000114.8F95 I96 L97G93-F95 PolarHBondContact O-N 3.33Å; G93-I96 PolarHBondContact O-N 2.91Å; G93-L97 WeakPolarHBondContact O-CA 3.49Å; G93-L97 WeakPolarHBondContact O-CB 3.45Å; G93-L97 PolarHBondContact O-N 3.37Å
94G98Very high98.7Very high10 Ų1011.2 Ų11.210%0.1037%0.068CC..THydrogen-bonded Turntrans59.331.8175.500000113.5I96G94-I96 PolarHBondContact O-N 2.68Å
95F98.7Very high98.8Very high4 Ų410.8 Ų10.82%0.0186%0.062CC..THydrogen-bonded Turntrans65.1-16.2-176.2-40.4-74.5000115.9G93 S126 A166 M169 L197 Y228G93-F95 PolarHBondContact O-N 3.33Å; F95-S126 PolarHBondContact O-N 3.45Å; F95-A166 HydrophobicContact CD1-CB 3.69Å; F95-A166 HydrophobicContact CD2-CB 4.39Å; F95-A166 HydrophobicContact CE1-CB 3.43Å; F95-A166 VanDerWaalsContact CE1-CB 3.43Å; F95-A166 HydrophobicContact CE2-CB 4.16Å; F95-A166 HydrophobicContact CG-CB 4.14Å; F95-A166 HydrophobicContact CZ-CB 3.65Å; F95-M169 HydrophobicContact CE1-CE 3.7Å; F95-M169 HydrophobicContact CE1-SD 3.91Å; F95-M169 HydrophobicContact CE2-CE 4.21Å; F95-M169 HydrophobicContact CZ-CE 3.29Å; F95-M169 HydrophobicContact CZ-SD 4.11Å; F95-L197 HydrophobicContact CZ-CD2 4.27Å; F95-Y228 HydrophobicContact CB-CD2 3.63Å; F95-Y228 HydrophobicContact CB-CE2 4.34Å; F95-Y228 HydrophobicContact CB-CG 4.08Å; F95-Y228 HydrophobicContact CD1-CD1 4.43Å; F95-Y228 AromaticContact CD1-CD2 3.78Å; F95-Y228 HydrophobicContact CD1-CD2 3.78Å; F95-Y228 HydrophobicContact CD1-CE1 4.46Å; F95-Y228 AromaticContact CD1-CE2 3.82Å; F95-Y228 HydrophobicContact CD1-CE2 3.82Å; F95-Y228 HydrophobicContact CD1-CG 4.11Å; F95-Y228 HydrophobicContact CD2-CD1 4.34Å; F95-Y228 HydrophobicContact CD2-CD2 4.25Å; F95-Y228 AromaticContact CD2-CG 3.89Å; F95-Y228 HydrophobicContact CD2-CG 3.89Å; F95-Y228 HydrophobicContact CE1-CE1 4.41Å; F95-Y228 HydrophobicContact CE1-CE2 4.47Å; F95-Y228 HydrophobicContact CE2-CD1 4.46Å; F95-Y228 HydrophobicContact CE2-CG 4.45Å; F95-Y228 HydrophobicContact CG-CD1 4.36Å; F95-Y228 AromaticContact CG-CD2 3.6Å; F95-Y228 HydrophobicContact CG-CD2 3.6Å; F95-Y228 HydrophobicContact CG-CE2 4.14Å; F95-Y228 AromaticContact CG-CG 3.73Å; F95-Y228 HydrophobicContact CG-CG 3.73Å
96I98.7Very high98.8Very high4 Ų410.9 Ų10.92%0.0216%0.062CC..THydrogen-bonded Turntrans-108.3-18-17376.9177.9000113.4I37 R41 G93 G94 S126 M223 Y224 A227I37-I96 HydrophobicContact CD1-CB 3.94Å; I37-I96 HydrophobicContact CD1-CD1 3.76Å; I37-I96 HydrophobicContact CD1-CG1 3.87Å; R41-I96 WeakPolarHBondContact CG-O 3.17Å; R41-I96 PolarHBondContact NE-O 3.42Å; G93-I96 PolarHBondContact O-N 2.91Å; G94-I96 PolarHBondContact O-N 2.68Å; I96-S126 VanDerWaalsContact CA-O 3.25Å; I96-S126 WeakPolarHBondContact CA-O 3.22Å; I96-S126 VanDerWaalsContact CB-O 3.28Å; I96-S126 WeakPolarHBondContact CB-O 3.47Å; I96-S126 WeakPolarHBondContact CG2-O 3.22Å; I96-M223 HydrophobicContact CD1-CE 3.95Å; I96-M223 HydrophobicContact CD1-SD 3.9Å; I96-Y224 HydrophobicContact CD1-CD1 3.7Å; I96-Y224 HydrophobicContact CD1-CE1 3.74Å; I96-Y224 HydrophobicContact CG1-CD1 4.12Å; I96-Y224 HydrophobicContact CG1-CE1 4.24Å; I96-A227 HydrophobicContact CG2-CB 3.59Å
97L98.7Very high98.8Very high7 Ų711 Ų114%0.0376%0.063CC..SBendtrans-121.6174-180-48.1178.6000110.8W31 I37 Q40 R41 Y44 H91 G93W31-L97 HydrophobicContact CH2-CD1 4.23Å; I37-L97 HydrophobicContact CD1-CD2 4.06Å; Q40-L97 HydrophobicContact CB-CD2 4.04Å; R41-L97 HydrophobicContact CB-CD2 4.49Å; R41-L97 HydrophobicContact CG-CD2 3.81Å; Y44-L97 HydrophobicContact CD1-CB 4.08Å; Y44-L97 HydrophobicContact CD2-CB 4.45Å; Y44-L97 HydrophobicContact CD2-CD1 3.9Å; Y44-L97 HydrophobicContact CG-CB 4.06Å; Y44-L97 HydrophobicContact CG-CD1 4.09Å; H91-L97 PolarHBondContact CE1-O 3.41Å; G93-L97 WeakPolarHBondContact O-CA 3.49Å; G93-L97 WeakPolarHBondContact O-CB 3.45Å; G93-L97 PolarHBondContact O-N 3.37Å
98G98.6Very high98.8Very high5 Ų512.7 Ų12.75%0.0527%0.069CC..  trans89.9166.6179.900000112.4T102 L125G98-T102 WeakPolarHBondContact CA-OG1 3.47Å; G98-L125 WeakPolarHBondContact O-CD1 3.43Å
99N98.8Very high98.8Very high35 Ų3513.1 Ų13.119%0.1877%0.071CC..  trans-172.4178.5175.555.940.6000108.1T45 H91 D101 T102 D122T45-N99 PolarHBondContact OG1-ND2 3.35Å; H91-N99 PolarHBondContact CE1-N 3.08Å; N99-D101 VanDerWaalsContact C-N 3.26Å; N99-D101 PolarHBondContact O-N 2.98Å; N99-D101 WeakPolarHBondContact OD1-CA 3.29Å; N99-D101 WeakPolarHBondContact OD1-CB 3.44Å; N99-D101 PolarHBondContact OD1-N 2.87Å; N99-T102 PolarHBondContact N-OG1 3.5Å; N99-T102 PolarHBondContact O-N 3.39Å; N99-T102 PolarHBondContact O-OG1 2.96Å; N99-T102 WeakPolarHBondContact OD1-CG2 3.46Å; N99-T102 PolarHBondContact OD1-N 3.46Å; N99-D122 WeakPolarHBondContact CA-OD1 3.43Å
100L98.8Very high98.8Very high3 Ų313 Ų132%0.0167%0.071CC..THydrogen-bonded Turntrans-55.1-34.5177.5-62.5176.3000114.7E73 R75 D104 M107 G120 D122E73-L100 HydrophobicContact CG-CD1 4.09Å; R75-L100 HydrophobicContact CB-CD1 3.74Å; L100-D104 PolarHBondContact O-N 3.47Å; L100-D104 VanDerWaalsContact O-N 3.1Å; L100-M107 HydrophobicContact CB-CE 4.41Å; L100-M107 HydrophobicContact CD2-CE 4.16Å; L100-M107 HydrophobicContact CD2-SD 4.49Å; L100-M107 WeakPolarHBondContact O-CE 3.32Å; L100-G120 VanDerWaalsContact CD2-C 3.42Å; L100-D122 HydrophobicContact CD1-CB 3.82Å; L100-D122 HydrophobicContact CD2-CB 4.38Å; L100-D122 HydrophobicContact CG-CB 3.78Å; L100-D122 PolarHBondContact N-OD1 3.39Å
101D98.8Very high98.8Very high89 Ų8913 Ų1348%0.4767%0.071SC..THydrogen-bonded Turntrans-74.6-35.1-178.4-64.2-28.4000112.7R75 N99 H103 D104R75-D101 IonicContact CZ-OD1 3.04Å; R75-D101 IonicContact NH1-OD1 3.92Å; R75-D101 PolarHBondContact NH1-OD1 3.33Å; R75-D101 IonicContact NH2-OD1 2.7Å; R75-D101 PolarHBondContact NH2-OD1 3Å; N99-D101 VanDerWaalsContact C-N 3.26Å; N99-D101 PolarHBondContact O-N 2.98Å; N99-D101 WeakPolarHBondContact OD1-CA 3.29Å; N99-D101 WeakPolarHBondContact OD1-CB 3.44Å; N99-D101 PolarHBondContact OD1-N 2.87Å; D101-H103 PolarHBondContact O-N 3.34Å; D101-D104 PolarHBondContact O-N 3.22Å
102T98.8Very high98.7Very high2 Ų214.4 Ų14.41%0.0128%0.081CC..THydrogen-bonded Turntrans-65.7-18.8178.856.20000113.5Y44 T45 R48 N52 G98 N99 H296Y44-T102 HydrophobicContact CD1-CG2 3.84Å; Y44-T102 HydrophobicContact CE1-CG2 3.92Å; T45-T102 HydrophobicContact CG2-CG2 4.47Å; R48-T102 HydrophobicContact CB-CG2 3.99Å; R48-T102 HydrophobicContact CG-CG2 4.35Å; N52-T102 PolarHBondContact ND2-O 3.49Å; G98-T102 WeakPolarHBondContact CA-OG1 3.47Å; N99-T102 PolarHBondContact N-OG1 3.5Å; N99-T102 PolarHBondContact O-N 3.39Å; N99-T102 PolarHBondContact O-OG1 2.96Å; N99-T102 WeakPolarHBondContact OD1-CG2 3.46Å; N99-T102 PolarHBondContact OD1-N 3.46Å; T102-H296 PolarHBondContact O-CE1 3.42Å; T102-H296 VanDerWaalsContact O-CE1 3.24Å; T102-H296 PolarHBondContact O-ND1 3.11Å
103H98.8Very high98.8Very high0 Ų017.1 Ų17.10%09%0.091CC..THydrogen-bonded Turntrans-122.99.4-178.2-65.867000112.8Y89 H91 G92 D101 R105 I106 M107 D164 H296Y89-H103 HydrophobicContact CE1-CB 4.04Å; Y89-H103 AromaticContact CE1-CD2 3.89Å; H91-H103 HydrophobicContact CB-CB 4.13Å; H91-H103 WeakPolarHBondContact CB-ND1 3.39Å; G92-H103 PolarHBondContact N-NE2 3.09Å; D101-H103 PolarHBondContact O-N 3.34Å; H103-R105 VanDerWaalsContact C-N 3.31Å; H103-R105 PolarHBondContact O-N 2.93Å; H103-I106 WeakPolarHBondContact O-CB 3.45Å; H103-I106 PolarHBondContact O-N 3.44Å; H103-M107 HydrophobicContact CB-CE 4.3Å; H103-M107 PolarHBondContact O-N 3.39Å; H103-D164 IonicContact CD2-OD1 2.83Å; H103-D164 PolarHBondContact CD2-OD1 3.22Å; H103-D164 IonicContact CD2-OD2 3.34Å; H103-D164 IonicContact NE2-OD1 3.52Å; H103-D164 PolarHBondContact NE2-OD1 2.87Å; H103-D164 IonicContact NE2-OD2 2.75Å; H103-D164 PolarHBondContact NE2-OD2 3.48Å; H103-H296 AromaticContact CD2-CE1 3.62Å; H103-H296 AromaticContact CE1-CE1 3.6Å; H103-H296 AromaticContact CE1-NE2 3.91Å; H103-H296 AromaticContact CG-CE1 3.9Å; H103-H296 AromaticContact ND1-CE1 3.88Å; H103-H296 AromaticContact NE2-CE1 3.43Å; H103-H296 PolarHBondContact NE2-CE1 2.9Å; H103-H296 AromaticContact NE2-NE2 3.56Å
104D98.9Very high98.8Very high25 Ų2516.8 Ų16.813%0.1349%0.087CC..Hα-helixtrans-54.5-44.4-176.1177.779.4000112.3N52 R75 F77 L100 D101 I106 M107 R108N52-D104 PolarHBondContact OD1-N 3.17Å; R75-D104 IonicContact NH1-OD1 2.75Å; F77-D104 WeakPolarHBondContact CE1-OD1 3.43Å; L100-D104 PolarHBondContact O-N 3.47Å; L100-D104 VanDerWaalsContact O-N 3.1Å; D101-D104 PolarHBondContact O-N 3.22Å; D104-I106 PolarHBondContact O-N 2.92Å; D104-M107 PolarHBondContact O-N 3.36Å; D104-R108 WeakPolarHBondContact O-CB 3.15Å; D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.48Å; D104-R108 PolarHBondContact O-N 3.13Å; D104-R108 IonicContact OD1-CZ 3.68Å; D104-R108 IonicContact OD1-NE 2.92Å; D104-R108 PolarHBondContact OD1-NE 3.2Å; D104-R108 IonicContact OD1-NH2 3.53Å; D104-R108 WeakPolarHBondContact OD2-CD 3.23Å; D104-R108 IonicContact OD2-CZ 3.91Å; D104-R108 IonicContact OD2-NE 2.84Å; D104-R108 PolarHBondContact OD2-NE 3.4Å
105R98.9Very high98.8Very high27 Ų2720.4 Ų20.410%0.10210%0.101CC..Hα-helixtrans-63.5-42.3177.8-179.8-179177.976.414.8112.2W51 N52 A53 G54 A55 H103 L109 S298W51-R105 WeakPolarHBondContact O-CD 3.45Å; N52-R105 HydrophobicContact CB-CB 4.16Å; N52-R105 VanDerWaalsContact OD1-CB 3.31Å; N52-R105 WeakPolarHBondContact OD1-CB 3.21Å; N52-R105 PolarHBondContact OD1-N 3.03Å; A53-R105 PolarHBondContact O-NH1 2.86Å; G54-R105 PolarHBondContact O-NH1 3.38Å; A55-R105 HydrophobicContact CB-CB 3.9Å; A55-R105 HydrophobicContact CB-CG 4.08Å; H103-R105 VanDerWaalsContact C-N 3.31Å; H103-R105 PolarHBondContact O-N 2.93Å; R105-L109 HydrophobicContact CG-CD1 3.79Å; R105-L109 HydrophobicContact CG-CG 4.29Å; R105-L109 WeakPolarHBondContact O-CB 3.26Å; R105-L109 WeakPolarHBondContact O-CG 3.31Å; R105-L109 PolarHBondContact O-N 3.22Å; R105-S298 PolarHBondContact NE-OG 3.03Å
106I98.9Very high98.8Very high1 Ų120.2 Ų20.21%0.00510%0.101CC..Hα-helixtrans-61.5-50.3178.5-72.1164000109.5Y89 H103 D104 R108 L109 L110 L295 L308Y89-I106 HydrophobicContact CD2-CG2 4.46Å; Y89-I106 HydrophobicContact CE1-CG2 4.34Å; Y89-I106 HydrophobicContact CE2-CG2 3.55Å; Y89-I106 WeakPolarHBondContact OH-CG2 3.42Å; H103-I106 WeakPolarHBondContact O-CB 3.45Å; H103-I106 PolarHBondContact O-N 3.44Å; D104-I106 PolarHBondContact O-N 2.92Å; I106-R108 PolarHBondContact O-N 2.82Å; I106-L109 PolarHBondContact O-N 3.24Å; I106-L110 HydrophobicContact CG2-CD1 3.99Å; I106-L110 WeakPolarHBondContact O-CG 3.28Å; I106-L110 PolarHBondContact O-N 2.97Å; I106-L295 HydrophobicContact CD1-CB 4.2Å; I106-L295 HydrophobicContact CD1-CD2 4.21Å; I106-L295 HydrophobicContact CD1-CG 4.28Å; I106-L295 HydrophobicContact CG1-CD2 4.48Å; I106-L295 HydrophobicContact CG1-CG 4.38Å; I106-L295 HydrophobicContact CG2-CD2 4.09Å; I106-L308 HydrophobicContact CG2-CD2 3.76Å
107M98.9Very high98.8Very high2 Ų220.1 Ų20.11%0.0110%0.1CC..Hα-helixtrans-61.9-42.9-179.1-68-174.6-73.600112.3F77 Y89 L100 H103 D104 L110 A111 V118 G120F77-M107 HydrophobicContact CD2-CB 3.95Å; F77-M107 HydrophobicContact CE2-CB 3.56Å; F77-M107 HydrophobicContact CE2-CE 3.87Å; F77-M107 HydrophobicContact CE2-CG 4.23Å; F77-M107 HydrophobicContact CE2-SD 3.69Å; F77-M107 HydrophobicContact CZ-CB 4Å; F77-M107 HydrophobicContact CZ-CE 3.86Å; F77-M107 HydrophobicContact CZ-SD 4.31Å; Y89-M107 HydrophobicContact CD1-CG 3.51Å; Y89-M107 HydrophobicContact CD1-SD 3.77Å; Y89-M107 HydrophobicContact CD2-CG 4.21Å; Y89-M107 HydrophobicContact CE1-CG 4.22Å; Y89-M107 HydrophobicContact CG-CG 3.53Å; Y89-M107 HydrophobicContact CG-SD 4.05Å; L100-M107 HydrophobicContact CB-CE 4.41Å; L100-M107 HydrophobicContact CD2-CE 4.16Å; L100-M107 HydrophobicContact CD2-SD 4.49Å; L100-M107 WeakPolarHBondContact O-CE 3.32Å; H103-M107 HydrophobicContact CB-CE 4.3Å; H103-M107 PolarHBondContact O-N 3.39Å; D104-M107 PolarHBondContact O-N 3.36Å; M107-L110 PolarHBondContact O-N 2.77Å; M107-A111 WeakPolarHBondContact O-CB 3.26Å; M107-A111 PolarHBondContact O-N 3.17Å; M107-V118 HydrophobicContact CB-CG1 4Å; M107-V118 HydrophobicContact CG-CG1 4.22Å; M107-G120 WeakPolarHBondContact SD-CA 3.48Å
108R98.9Very high98.8Very high37 Ų3719.8 Ų19.814%0.1410%0.098CC..Hα-helixtrans-66-37.7175.8-72.5168.5178.7-77.6-3.9112.8A55 P56 M58 F77 D104 I106 S112A55-R108 HydrophobicContact CB-CB 4.4Å; A55-R108 VanDerWaalsContact CB-CD 3.49Å; P56-R108 HydrophobicContact CB-CB 4.29Å; P56-R108 HydrophobicContact CG-CB 4.25Å; P56-R108 WeakPolarHBondContact O-CD 3.21Å; P56-R108 PolarHBondContact O-NH1 2.93Å; M58-R108 HydrophobicContact CE-CB 4Å; M58-R108 HydrophobicContact CE-CG 4.34Å; M58-R108 WeakPolarHBondContact CE-O 3.22Å; F77-R108 HydrophobicContact CD1-CG 3.58Å; F77-R108 HydrophobicContact CE1-CG 3.68Å; F77-R108 HydrophobicContact CG-CG 4.47Å; D104-R108 WeakPolarHBondContact O-CB 3.15Å; D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.48Å; D104-R108 PolarHBondContact O-N 3.13Å; D104-R108 IonicContact OD1-CZ 3.68Å; D104-R108 IonicContact OD1-NE 2.92Å; D104-R108 PolarHBondContact OD1-NE 3.2Å; D104-R108 IonicContact OD1-NH2 3.53Å; D104-R108 WeakPolarHBondContact OD2-CD 3.23Å; D104-R108 IonicContact OD2-CZ 3.91Å; D104-R108 IonicContact OD2-NE 2.84Å; D104-R108 PolarHBondContact OD2-NE 3.4Å; I106-R108 PolarHBondContact O-N 2.82Å; R108-S112 WeakPolarHBondContact O-CB 3.49Å; R108-S112 PolarHBondContact O-N 3.31Å; R108-S112 PolarHBondContact O-OG 3.15Å
109L98.9Very high98.9Very high8 Ų819.6 Ų19.64%0.04210%0.096CC..Hα-helixtrans-67.8-42.4174.5-72170.5000111.1P56 R105 I106 S112 Y113 S298 L308P56-L109 HydrophobicContact CG-CD2 3.62Å; P56-L109 HydrophobicContact CG-CG 4.17Å; R105-L109 HydrophobicContact CG-CD1 3.79Å; R105-L109 HydrophobicContact CG-CG 4.29Å; R105-L109 WeakPolarHBondContact O-CB 3.26Å; R105-L109 WeakPolarHBondContact O-CG 3.31Å; R105-L109 PolarHBondContact O-N 3.22Å; I106-L109 PolarHBondContact O-N 3.24Å; L109-S112 WeakPolarHBondContact O-CB 3.18Å; L109-S112 PolarHBondContact O-N 2.86Å; L109-Y113 HydrophobicContact CB-CD2 4.42Å; L109-Y113 HydrophobicContact CB-CE2 3.99Å; L109-Y113 HydrophobicContact CD2-CE2 4.27Å; L109-Y113 WeakPolarHBondContact CD2-OH 3.15Å; L109-Y113 WeakPolarHBondContact O-CB 3.26Å; L109-Y113 VanDerWaalsContact O-CD2 3.31Å; L109-Y113 WeakPolarHBondContact O-CD2 3.29Å; L109-Y113 VanDerWaalsContact O-CG 3.25Å; L109-Y113 PolarHBondContact O-N 2.76Å; L109-S298 WeakPolarHBondContact CD1-OG 3.1Å; L109-L308 HydrophobicContact CB-CD1 4.06Å; L109-L308 HydrophobicContact CD1-CD1 3.62Å
110L98.9Very high98.9Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-60.7-45.1174.7-77.3172.4000112.2Y89 I106 M107 S112 Y113 S114 V118 W194 L308 A312Y89-L110 HydrophobicContact CD2-CD1 3.47Å; Y89-L110 VanDerWaalsContact CD2-CD1 3.47Å; Y89-L110 HydrophobicContact CE2-CD1 3.5Å; I106-L110 HydrophobicContact CG2-CD1 3.99Å; I106-L110 WeakPolarHBondContact O-CG 3.28Å; I106-L110 PolarHBondContact O-N 2.97Å; M107-L110 PolarHBondContact O-N 2.77Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 3.1Å; L110-Y113 PolarHBondContact O-N 2.91Å; L110-S114 VanDerWaalsContact O-CB 3.27Å; L110-S114 WeakPolarHBondContact O-CB 3.28Å; L110-S114 PolarHBondContact O-N 3.34Å; L110-S114 PolarHBondContact O-OG 2.89Å; L110-V118 HydrophobicContact CB-CG2 4.2Å; L110-W194 HydrophobicContact CD1-CH2 3.69Å; L110-W194 HydrophobicContact CD1-CZ3 4.08Å; L110-W194 HydrophobicContact CD2-CH2 3.66Å; L110-W194 HydrophobicContact CD2-CZ2 3.93Å; L110-W194 HydrophobicContact CG-CH2 4.3Å; L110-L308 HydrophobicContact CD1-CD2 4.45Å; L110-L308 HydrophobicContact CD2-CD2 4.08Å; L110-L308 HydrophobicContact CG-CD2 3.96Å; L110-A312 HydrophobicContact CD2-CB 4.39Å
111A98.9Very high98.9Very high0 Ų017.8 Ų17.80%09%0.086CC..Hα-helixtrans-58.9-45.4173.800000110.7M58 F77 P79 M107 Y113 Q115 V118M58-A111 HydrophobicContact CE-CB 4Å; M58-A111 HydrophobicContact SD-CB 3.7Å; F77-A111 HydrophobicContact CB-CB 4.04Å; P79-A111 WeakPolarHBondContact CB-O 3.07Å; P79-A111 HydrophobicContact CG-CB 4.34Å; P79-A111 WeakPolarHBondContact CG-O 3.43Å; M107-A111 WeakPolarHBondContact O-CB 3.26Å; M107-A111 PolarHBondContact O-N 3.17Å; A111-Y113 PolarHBondContact O-N 3.07Å; A111-Q115 WeakPolarHBondContact O-CA 3.5Å; A111-Q115 PolarHBondContact O-N 3.45Å; A111-V118 HydrophobicContact CB-CB 4.11Å; A111-V118 HydrophobicContact CB-CG2 3.7Å
112S98.8Very high98.9Very high31 Ų3115.9 Ų15.922%0.2178%0.076CC..Hα-helixtrans-63.1-39.9178.9-58.10000113.2P56 M58 R108 L109 L110 Q115P56-S112 VanDerWaalsContact CB-OG 3.3Å; P56-S112 WeakPolarHBondContact CB-OG 3.4Å; P56-S112 WeakPolarHBondContact CG-OG 3.5Å; M58-S112 VanDerWaalsContact CE-OG 3.26Å; M58-S112 WeakPolarHBondContact CE-OG 3.29Å; R108-S112 WeakPolarHBondContact O-CB 3.49Å; R108-S112 PolarHBondContact O-N 3.31Å; R108-S112 PolarHBondContact O-OG 3.15Å; L109-S112 WeakPolarHBondContact O-CB 3.18Å; L109-S112 PolarHBondContact O-N 2.86Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 3.1Å; S112-Q115 PolarHBondContact O-NE2 3.46Å
113Y98.8Very high98.9Very high58 Ų5816 Ų1623%0.2278%0.076CC..Hα-helixtrans-82.7-35.6-177.5-61.8-27.9000113.4L109 L110 A111 D305 L308 R309L109-Y113 HydrophobicContact CB-CD2 4.42Å; L109-Y113 HydrophobicContact CB-CE2 3.99Å; L109-Y113 HydrophobicContact CD2-CE2 4.27Å; L109-Y113 WeakPolarHBondContact CD2-OH 3.15Å; L109-Y113 WeakPolarHBondContact O-CB 3.26Å; L109-Y113 VanDerWaalsContact O-CD2 3.31Å; L109-Y113 WeakPolarHBondContact O-CD2 3.29Å; L109-Y113 VanDerWaalsContact O-CG 3.25Å; L109-Y113 PolarHBondContact O-N 2.76Å; L110-Y113 PolarHBondContact O-N 2.91Å; A111-Y113 PolarHBondContact O-N 3.07Å; Y113-D305 PolarHBondContact OH-OD1 2.95Å; Y113-D305 PolarHBondContact OH-OD2 3.27Å; Y113-L308 HydrophobicContact CD2-CB 4.1Å; Y113-L308 HydrophobicContact CE2-CB 4.03Å; Y113-R309 HydrophobicContact CD1-CG 4.39Å; Y113-R309 HydrophobicContact CD2-CB 4.48Å; Y113-R309 HydrophobicContact CD2-CG 3.65Å; Y113-R309 HydrophobicContact CE1-CG 4.41Å; Y113-R309 VanDerWaalsContact CE1-CZ 3.48Å; Y113-R309 HydrophobicContact CE2-CG 3.63Å; Y113-R309 HydrophobicContact CG-CG 4.05Å; Y113-R309 PolarHBondContact OH-NH2 3.32Å; Y113-R309 VanDerWaalsContact OH-NH2 3.08Å
114S98.8Very high98.9Very high4 Ų418.5 Ų18.53%0.0289%0.092CC..Hα-helixtrans-83.5-17.1178.664.60000113.3L110 C116 T316L110-S114 VanDerWaalsContact O-CB 3.27Å; L110-S114 WeakPolarHBondContact O-CB 3.28Å; L110-S114 PolarHBondContact O-N 3.34Å; L110-S114 PolarHBondContact O-OG 2.89Å; S114-C116 PolarHBondContact O-N 2.98Å; S114-C116 PolarHBondContact O-SG 3.27Å; S114-C116 WeakPolarHBondContact OG-CB 3.47Å; S114-C116 PolarHBondContact OG-N 2.87Å; S114-T316 WeakPolarHBondContact O-CG2 3.26Å
115Q98.8Very high98.9Very high87 Ų8718.6 Ų18.641%0.4079%0.092SC..  trans51.626.4-168.8-65.1-67.2-56.600112.8P79 Q80 A111 S112P79-Q115 VanDerWaalsContact CG-C 3.5Å; Q80-Q115 PolarHBondContact NE2-O 3.33Å; A111-Q115 WeakPolarHBondContact O-CA 3.5Å; A111-Q115 PolarHBondContact O-N 3.45Å; S112-Q115 PolarHBondContact O-NE2 3.46Å
116C98.9Very high98.9Very high0 Ų017.4 Ų17.40%09%0.088CC..SBendtrans-109.9151.8176.2-630000110.3P79 S83 S114 V118 F315P79-C116 VanDerWaalsContact CD-O 3.32Å; P79-C116 WeakPolarHBondContact CD-O 3.43Å; P79-C116 WeakPolarHBondContact CG-O 3.49Å; S83-C116 VanDerWaalsContact OG-CA 3.3Å; S83-C116 WeakPolarHBondContact OG-CA 3.34Å; S114-C116 PolarHBondContact O-N 2.98Å; S114-C116 PolarHBondContact O-SG 3.27Å; S114-C116 WeakPolarHBondContact OG-CB 3.47Å; S114-C116 PolarHBondContact OG-N 2.87Å; C116-V118 PolarHBondContact O-N 3.43Å; C116-F315 HydrophobicContact CB-CE1 4.28Å
117T98.9Very high98.9Very high2 Ų219.9 Ų19.91%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-59.2125.3167-60.60000109.5L76 F77 S83 T86 L87 I119 I154L76-T117 HydrophobicContact CD1-CG2 4.23Å; L76-T117 HydrophobicContact CD2-CG2 3.41Å; L76-T117 VanDerWaalsContact CD2-CG2 3.41Å; L76-T117 HydrophobicContact CG-CG2 3.6Å; F77-T117 WeakPolarHBondContact O-CA 3.49Å; S83-T117 WeakPolarHBondContact CB-OG1 3.4Å; S83-T117 PolarHBondContact OG-N 3.41Å; S83-T117 PolarHBondContact OG-OG1 2.82Å; T86-T117 CarbonylContact C-O 3.48Å; T86-T117 WeakPolarHBondContact CA-O 3.32Å; T86-T117 HydrophobicContact CG2-CG2 4.38Å; L87-T117 PolarHBondContact N-O 2.95Å; T117-I119 HydrophobicContact CG2-CG1 4.16Å; T117-I154 HydrophobicContact CG2-CG2 3.99Å
118V99Very high98.8Very high0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-103.8133.1169.9175.90000108.9L76 F77 L87 M107 L110 A111 C116L76-V118 CarbonylContact C-O 3.46Å; L76-V118 WeakPolarHBondContact CA-O 3.41Å; F77-V118 HydrophobicContact CB-CB 4.35Å; F77-V118 HydrophobicContact CD2-CB 4.17Å; F77-V118 HydrophobicContact CD2-CG1 4.15Å; F77-V118 WeakPolarHBondContact CD2-O 3.25Å; F77-V118 PolarHBondContact N-O 3.1Å; F77-V118 PolarHBondContact O-N 2.87Å; L87-V118 HydrophobicContact CB-CG2 4.28Å; L87-V118 HydrophobicContact CD2-CG2 4.31Å; L87-V118 CarbonylContact O-C 3.45Å; L87-V118 VanDerWaalsContact O-CA 3.22Å; L87-V118 WeakPolarHBondContact O-CA 3.33Å; M107-V118 HydrophobicContact CB-CG1 4Å; M107-V118 HydrophobicContact CG-CG1 4.22Å; L110-V118 HydrophobicContact CB-CG2 4.2Å; A111-V118 HydrophobicContact CB-CB 4.11Å; A111-V118 HydrophobicContact CB-CG2 3.7Å; C116-V118 PolarHBondContact O-N 3.43Å
119I98.9Very high98.8Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-117.5107173.8-60.4-179.9000108.5R75 L76 T86 L87 F88 Y89 T117 I121 F145 I154R75-I119 CarbonylContact O-C 3.6Å; R75-I119 WeakPolarHBondContact O-CA 3.39Å; L76-I119 HydrophobicContact CB-CG1 4.29Å; L76-I119 HydrophobicContact CD1-CD1 3.91Å; L76-I119 HydrophobicContact CD1-CG1 4.06Å; L76-I119 HydrophobicContact CG-CD1 4.23Å; L76-I119 HydrophobicContact CG-CG1 3.8Å; T86-I119 HydrophobicContact CG2-CD1 3.53Å; T86-I119 HydrophobicContact CG2-CG1 3.85Å; L87-I119 PolarHBondContact O-N 2.79Å; F88-I119 CarbonylContact C-O 3.46Å; F88-I119 VanDerWaalsContact CA-O 3.3Å; F88-I119 WeakPolarHBondContact CA-O 3.19Å; F88-I119 HydrophobicContact CD1-CB 3.81Å; F88-I119 HydrophobicContact CD1-CG2 4.05Å; F88-I119 HydrophobicContact CE1-CB 4Å; F88-I119 HydrophobicContact CE1-CD1 3.87Å; F88-I119 HydrophobicContact CE1-CG1 4.44Å; F88-I119 HydrophobicContact CE1-CG2 4.15Å; F88-I119 HydrophobicContact CZ-CD1 4.43Å; Y89-I119 PolarHBondContact N-O 3.34Å; T117-I119 HydrophobicContact CG2-CG1 4.16Å; I119-I121 HydrophobicContact CG2-CG1 4.43Å; I119-F145 HydrophobicContact CD1-CD1 4.15Å; I119-F145 HydrophobicContact CD1-CD2 3.86Å; I119-F145 HydrophobicContact CD1-CE1 4.16Å; I119-F145 HydrophobicContact CD1-CE2 3.86Å; I119-F145 HydrophobicContact CD1-CG 4.01Å; I119-F145 HydrophobicContact CD1-CZ 4.02Å; I119-F145 HydrophobicContact CG2-CE2 3.83Å; I119-F145 HydrophobicContact CG2-CZ 4.29Å; I119-I154 HydrophobicContact CD1-CD1 4.12Å
120G98.9Very high98.8Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-72.9136.4166.300000110.4T74 R75 Y89 L100 M107T74-G120 CarbonylContact C-O 3.48Å; T74-G120 VanDerWaalsContact CA-O 3.24Å; T74-G120 WeakPolarHBondContact CA-O 3.33Å; R75-G120 PolarHBondContact N-O 2.8Å; R75-G120 PolarHBondContact O-N 2.99Å; Y89-G120 WeakPolarHBondContact O-CA 3.42Å; L100-G120 VanDerWaalsContact CD2-C 3.42Å; M107-G120 WeakPolarHBondContact SD-CA 3.48Å
121I98.9Very high98.8Very high0 Ų028.2 Ų28.20%014%0.14CC..EExtended strand (participates in β ladder)trans-112.7120.4176-58.8175.7000108.6V72 T74 F88 Y89 L90 I119 Y123 I138 A141V72-I121 HydrophobicContact CG1-CG2 3.71Å; T74-I121 HydrophobicContact CG2-CG1 4.31Å; F88-I121 HydrophobicContact CB-CD1 4.37Å; F88-I121 HydrophobicContact CD1-CD1 3.79Å; F88-I121 HydrophobicContact CD1-CG1 4.31Å; F88-I121 HydrophobicContact CG-CD1 4.38Å; Y89-I121 PolarHBondContact O-N 3.42Å; L90-I121 HydrophobicContact CD2-CB 4.17Å; L90-I121 HydrophobicContact CD2-CD1 4.22Å; I119-I121 HydrophobicContact CG2-CG1 4.43Å; I121-Y123 PolarHBondContact O-N 2.81Å; I121-I138 HydrophobicContact CD1-CB 4.33Å; I121-I138 HydrophobicContact CD1-CG1 4.28Å; I121-I138 HydrophobicContact CD1-CG2 4.03Å; I121-I138 HydrophobicContact CG2-CG1 4.28Å; I121-A141 HydrophobicContact CD1-CB 4.09Å
122D98.9Very high98.8Very high49 Ų4930 Ų3026%0.26215%0.152SC..EExtended strand (participates in β ladder)trans-84.466.1176.1-150.846.3000109.5E73 N99 L100E73-D122 HydrophobicContact CB-CB 4.02Å; E73-D122 WeakPolarHBondContact O-CB 3.46Å; E73-D122 PolarHBondContact O-N 3.35Å; N99-D122 WeakPolarHBondContact CA-OD1 3.43Å; L100-D122 HydrophobicContact CD1-CB 3.82Å; L100-D122 HydrophobicContact CD2-CB 4.38Å; L100-D122 HydrophobicContact CG-CB 3.78Å; L100-D122 PolarHBondContact N-OD1 3.39Å
123Y98.9Very high98.8Very high5 Ų530 Ų302%0.0215%0.149CC..PPolyproline II helixtrans-58.8148.9-178.662.4-97.8000110.8H91 I121 L125 A134 L170H91-Y123 AromaticContact CD2-CE1 3.74Å; H91-Y123 AromaticContact CE1-CE1 3.83Å; H91-Y123 AromaticContact CE1-CZ 3.55Å; H91-Y123 PolarHBondContact CE1-OH 3.04Å; H91-Y123 AromaticContact ND1-CZ 3.97Å; H91-Y123 PolarHBondContact ND1-OH 3.02Å; H91-Y123 AromaticContact NE2-CE1 3.61Å; H91-Y123 AromaticContact NE2-CZ 3.76Å; H91-Y123 PolarHBondContact O-OH 3.33Å; I121-Y123 PolarHBondContact O-N 2.81Å; Y123-L125 HydrophobicContact CD2-CD2 4.18Å; Y123-L125 HydrophobicContact CE2-CD2 3.67Å; Y123-L125 PolarHBondContact O-N 3.43Å; Y123-A134 HydrophobicContact CD2-CB 3.79Å; Y123-A134 HydrophobicContact CG-CB 4.11Å; Y123-L170 HydrophobicContact CD1-CD1 3.97Å; Y123-L170 HydrophobicContact CD2-CD1 4.21Å; Y123-L170 HydrophobicContact CE1-CD1 3.55Å; Y123-L170 HydrophobicContact CE2-CD1 3.83Å; Y123-L170 HydrophobicContact CG-CD1 4.29Å; Y123-L170 VanDerWaalsContact CZ-CD1 3.48Å
124T98.8Very high98.8Very high53 Ų5327.4 Ų27.433%0.32514%0.139SC..PPolyproline II helixtrans-65.8124.4-177.8-52.60000109.9A129 E137T124-A129 HydrophobicContact CG2-CB 3.64Å; T124-A129 WeakPolarHBondContact O-CB 3.5Å; T124-E137 WeakPolarHBondContact CB-OE1 3.24Å; T124-E137 PolarHBondContact N-OE2 2.95Å; T124-E137 PolarHBondContact OG1-OE1 2.87Å; T124-E137 PolarHBondContact OG1-OE2 3.42Å
125L98.8Very high98.8Very high26 Ų2627.2 Ų27.214%0.13614%0.138CC..PPolyproline II helixtrans-74.7154.7-177.3-55.7-178.5000112.3G98 Y123 E128 A129G98-L125 WeakPolarHBondContact O-CD1 3.43Å; Y123-L125 HydrophobicContact CD2-CD2 4.18Å; Y123-L125 HydrophobicContact CE2-CD2 3.67Å; Y123-L125 PolarHBondContact O-N 3.43Å; L125-E128 PolarHBondContact O-N 2.98Å; L125-A129 PolarHBondContact O-N 3.07Å
126S98.8Very high98.8Very high2 Ų224.8 Ų24.81%0.01413%0.126CC..THydrogen-bonded Turntrans-81.1152.4168-67.90000111.4R41 F95 I96 A129 A227 Y228R41-S126 PolarHBondContact NH2-O 3.44Å; F95-S126 PolarHBondContact O-N 3.45Å; I96-S126 VanDerWaalsContact CA-O 3.25Å; I96-S126 WeakPolarHBondContact CA-O 3.22Å; I96-S126 VanDerWaalsContact CB-O 3.28Å; I96-S126 WeakPolarHBondContact CB-O 3.47Å; I96-S126 WeakPolarHBondContact CG2-O 3.22Å; S126-A129 VanDerWaalsContact CA-O 3.28Å; S126-A129 WeakPolarHBondContact CA-O 3.39Å; S126-A129 WeakPolarHBondContact CB-O 3.35Å; S126-A129 PolarHBondContact OG-O 3.16Å; S126-A227 WeakPolarHBondContact CB-O 3.45Å; S126-Y228 WeakPolarHBondContact OG-CD2 3.12Å
127P98.4Very high98.8Very high54 Ų5424.8 Ų24.835%0.35113%0.127SC..THydrogen-bonded Turncis-86.40.37.535.9-38000115.7A129 R130 A227P127-A129 CarbonylContact C-O 3.57Å; P127-R130 PolarHBondContact O-NE 2.87Å; P127-R130 VanDerWaalsContact O-NE 3.11Å; P127-A227 HydrophobicContact CB-CB 4.39Å
128E98.5Very high98.8Very high115 Ų11524.7 Ų24.754%0.53713%0.126SC..THydrogen-bonded Turntrans-63.6-45.6179.1-64.989.1155.100111.7R41 L125R41-E128 IonicContact CZ-OE1 2.73Å; R41-E128 IonicContact CZ-OE2 3.94Å; R41-E128 IonicContact NH1-OE1 3.51Å; R41-E128 PolarHBondContact NH1-OE1 3.04Å; R41-E128 IonicContact NH1-OE2 3.36Å; R41-E128 PolarHBondContact NH1-OE2 2.63Å; R41-E128 IonicContact NH2-OE1 3.83Å; R41-E128 IonicContact NH2-OE2 3.58Å; R41-E128 PolarHBondContact NH2-OE2 2.75Å; L125-E128 PolarHBondContact O-N 2.98Å
129A98.7Very high98.8Very high1 Ų125.2 Ų25.21%0.00813%0.129CC..SBendtrans-94.2148.616400000110.8T124 L125 S126 P127 Q133T124-A129 HydrophobicContact CG2-CB 3.64Å; T124-A129 WeakPolarHBondContact O-CB 3.5Å; L125-A129 PolarHBondContact O-N 3.07Å; S126-A129 VanDerWaalsContact CA-O 3.28Å; S126-A129 WeakPolarHBondContact CA-O 3.39Å; S126-A129 WeakPolarHBondContact CB-O 3.35Å; S126-A129 PolarHBondContact OG-O 3.16Å; P127-A129 CarbonylContact C-O 3.57Å; A129-Q133 HydrophobicContact CB-CB 4.14Å; A129-Q133 VanDerWaalsContact CB-CD 3.45Å; A129-Q133 HydrophobicContact CB-CG 3.95Å
130R98.8Very high98.8Very high94 Ų9426.7 Ų26.736%0.35514%0.141SC..  trans-123159.2172.9-60.6-61.9-175.3121-7.3110.4P127 Q133 E226 A227 Y228 L229P127-R130 PolarHBondContact O-NE 2.87Å; P127-R130 VanDerWaalsContact O-NE 3.11Å; R130-Q133 WeakPolarHBondContact O-CB 3.24Å; R130-Q133 PolarHBondContact O-N 2.71Å; R130-E226 PolarHBondContact NH1-O 3.31Å; R130-A227 WeakPolarHBondContact CD-O 3.28Å; R130-A227 VanDerWaalsContact CZ-O 3.3Å; R130-A227 PolarHBondContact NE-O 3.4Å; R130-A227 VanDerWaalsContact NE-O 3.15Å; R130-A227 PolarHBondContact NH1-O 2.85Å; R130-Y228 CarbonylContact C-O 3.58Å; R130-Y228 VanDerWaalsContact CA-O 3.25Å; R130-Y228 WeakPolarHBondContact CA-O 3.2Å; R130-L229 PolarHBondContact NH1-O 3.47Å
131F98.9Very high98.8Very high11 Ų1126.7 Ų26.75%0.04814%0.141CC..THydrogen-bonded Turntrans-49.2131.5169.4176-94.1000110.5I135 Y228 L229 D234 S237 Y239F131-I135 HydrophobicContact CD2-CD1 4.13Å; F131-I135 HydrophobicContact CE2-CD1 3.74Å; F131-Y228 HydrophobicContact CB-CD1 4.12Å; F131-Y228 HydrophobicContact CB-CE1 3.76Å; F131-Y228 HydrophobicContact CB-CE2 4.45Å; F131-Y228 AromaticContact CD2-CE1 3.69Å; F131-Y228 HydrophobicContact CD2-CE1 3.69Å; F131-Y228 AromaticContact CD2-CZ 3.87Å; F131-Y228 HydrophobicContact CG-CE1 4.14Å; F131-Y228 PolarHBondContact N-O 2.8Å; F131-L229 HydrophobicContact CB-CD2 4Å; F131-L229 HydrophobicContact CG-CD2 4.25Å; F131-D234 HydrophobicContact CD1-CB 3.75Å; F131-D234 HydrophobicContact CE1-CB 4.15Å; F131-S237 WeakPolarHBondContact CE1-OG 3.44Å; F131-S237 WeakPolarHBondContact CZ-OG 3.13Å; F131-Y239 WeakPolarHBondContact CE2-O 3.33Å
132P98.7Very high98.8Very high38 Ų3826.7 Ų26.725%0.24714%0.141CC..THydrogen-bonded Turncis-100.9224.739.9-36.3000115A134 I135 E136 W177P132-A134 PolarHBondContact O-N 3.29Å; P132-I135 WeakPolarHBondContact O-CB 3.49Å; P132-I135 PolarHBondContact O-N 3.46Å; P132-I135 VanDerWaalsContact O-N 3.08Å; P132-E136 PolarHBondContact O-N 2.87Å; P132-E136 VanDerWaalsContact O-N 3.09Å; P132-W177 HydrophobicContact CB-CH2 4.23Å; P132-W177 HydrophobicContact CB-CZ3 4.09Å; P132-W177 HydrophobicContact CG-CH2 4.22Å
133Q98.9Very high98.8Very high32 Ų3225.8 Ų25.815%0.1514%0.139CC..Hα-helixtrans-51.5-51.6-169.8172.2169.8-14.300113.8Y69 A129 R130 I135 E136 E137Y69-Q133 HydrophobicContact CD1-CG 4Å; Y69-Q133 HydrophobicContact CD2-CG 3.67Å; Y69-Q133 HydrophobicContact CE1-CB 4.36Å; Y69-Q133 HydrophobicContact CE1-CG 4.06Å; Y69-Q133 HydrophobicContact CE2-CB 4.09Å; Y69-Q133 HydrophobicContact CE2-CG 3.72Å; Y69-Q133 HydrophobicContact CG-CG 3.8Å; A129-Q133 HydrophobicContact CB-CB 4.14Å; A129-Q133 VanDerWaalsContact CB-CD 3.45Å; A129-Q133 HydrophobicContact CB-CG 3.95Å; R130-Q133 WeakPolarHBondContact O-CB 3.24Å; R130-Q133 PolarHBondContact O-N 2.71Å; Q133-I135 VanDerWaalsContact C-N 3.29Å; Q133-I135 PolarHBondContact O-N 2.89Å; Q133-E136 PolarHBondContact O-N 3.33Å; Q133-E136 VanDerWaalsContact O-N 3.08Å; Q133-E137 HydrophobicContact CG-CG 4.28Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.34Å; Q133-E137 PolarHBondContact NE2-OE1 2.79Å; Q133-E137 WeakPolarHBondContact O-CG 3.44Å; Q133-E137 PolarHBondContact O-N 2.95Å
134A98.9Very high98.8Very high3 Ų328.5 Ų28.53%0.02515%0.149CC..Hα-helixtrans-58.5-39.6-179.500000112.3Y123 P132 E137 I138 L170Y123-A134 HydrophobicContact CD2-CB 3.79Å; Y123-A134 HydrophobicContact CG-CB 4.11Å; P132-A134 PolarHBondContact O-N 3.29Å; A134-E137 PolarHBondContact O-N 2.89Å; A134-I138 WeakPolarHBondContact O-CB 3.44Å; A134-I138 VanDerWaalsContact O-CD1 3.22Å; A134-I138 WeakPolarHBondContact O-CD1 3.24Å; A134-I138 WeakPolarHBondContact O-CG1 3.41Å; A134-I138 PolarHBondContact O-N 3.24Å; A134-L170 HydrophobicContact CB-CD2 4.14Å
135I98.9Very high98.8Very high0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-64.2-43.3176.5-63.4162.8000110.2F131 P132 Q133 E137 I138 V139 L170 A173 W177F131-I135 HydrophobicContact CD2-CD1 4.13Å; F131-I135 HydrophobicContact CE2-CD1 3.74Å; P132-I135 WeakPolarHBondContact O-CB 3.49Å; P132-I135 PolarHBondContact O-N 3.46Å; P132-I135 VanDerWaalsContact O-N 3.08Å; Q133-I135 VanDerWaalsContact C-N 3.29Å; Q133-I135 PolarHBondContact O-N 2.89Å; I135-E137 PolarHBondContact O-N 3.33Å; I135-I138 PolarHBondContact O-N 2.83Å; I135-V139 HydrophobicContact CG2-CG2 4.41Å; I135-V139 WeakPolarHBondContact O-CB 3.36Å; I135-V139 VanDerWaalsContact O-CG2 3.29Å; I135-V139 WeakPolarHBondContact O-CG2 3.33Å; I135-V139 PolarHBondContact O-N 3.08Å; I135-L170 HydrophobicContact CG1-CD2 3.84Å; I135-A173 HydrophobicContact CD1-CB 3.69Å; I135-A173 HydrophobicContact CG1-CB 4.12Å; I135-W177 HydrophobicContact CG2-CB 4.24Å; I135-W177 HydrophobicContact CG2-CD2 4.05Å; I135-W177 HydrophobicContact CG2-CE3 3.92Å; I135-W177 HydrophobicContact CG2-CG 4.23Å
136E98.9Very high98.8Very high35 Ų3527.8 Ų27.816%0.16414%0.141CC..Hα-helixtrans-66.7-34.9177.4-72.7-172.1113.600113K68 Y69 P132 Q133 A140 W177K68-E136 IonicContact NZ-OE1 3.33Å; K68-E136 PolarHBondContact NZ-OE1 3.3Å; K68-E136 IonicContact NZ-OE2 2.67Å; K68-E136 PolarHBondContact NZ-OE2 3Å; Y69-E136 HydrophobicContact CE2-CB 3.9Å; Y69-E136 WeakPolarHBondContact CE2-OE2 3.37Å; Y69-E136 PolarHBondContact OH-OE2 2.62Å; P132-E136 PolarHBondContact O-N 2.87Å; P132-E136 VanDerWaalsContact O-N 3.09Å; Q133-E136 PolarHBondContact O-N 3.33Å; Q133-E136 VanDerWaalsContact O-N 3.08Å; E136-A140 WeakPolarHBondContact O-CB 3.46Å; E136-A140 PolarHBondContact O-N 3.5Å; E136-W177 HydrophobicContact CG-CH2 3.95Å; E136-W177 HydrophobicContact CG-CZ2 3.65Å
137E98.9Very high98.8Very high1 Ų134.6 Ų34.61%0.00517%0.173CC..Hα-helixtrans-64-45.1172-73.8171.6172.200111.4T67 Y69 V72 T124 Q133 A134 I135 A140 A141T67-E137 HydrophobicContact CG2-CB 4.3Å; T67-E137 HydrophobicContact CG2-CG 4.23Å; Y69-E137 HydrophobicContact CD2-CG 3.94Å; V72-E137 HydrophobicContact CG2-CB 4.02Å; V72-E137 HydrophobicContact CG2-CG 3.8Å; T124-E137 WeakPolarHBondContact CB-OE1 3.24Å; T124-E137 PolarHBondContact N-OE2 2.95Å; T124-E137 PolarHBondContact OG1-OE1 2.87Å; T124-E137 PolarHBondContact OG1-OE2 3.42Å; Q133-E137 HydrophobicContact CG-CG 4.28Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.34Å; Q133-E137 PolarHBondContact NE2-OE1 2.79Å; Q133-E137 WeakPolarHBondContact O-CG 3.44Å; Q133-E137 PolarHBondContact O-N 2.95Å; A134-E137 PolarHBondContact O-N 2.89Å; I135-E137 PolarHBondContact O-N 3.33Å; E137-A140 PolarHBondContact O-N 2.8Å; E137-A141 WeakPolarHBondContact O-CB 3.48Å; E137-A141 PolarHBondContact O-N 3.07Å
138I98.9Very high98.8Very high0 Ų034.7 Ų34.70%017%0.168CC..Hα-helixtrans-62.2-47.8177.6-67.4158.5000111L90 I121 A134 I135 A141 C142 F161 L170 S174L90-I138 HydrophobicContact CD1-CD1 3.83Å; L90-I138 HydrophobicContact CD1-CG2 4.31Å; L90-I138 HydrophobicContact CD2-CB 4.42Å; L90-I138 HydrophobicContact CD2-CD1 3.43Å; L90-I138 VanDerWaalsContact CD2-CD1 3.43Å; L90-I138 HydrophobicContact CD2-CG1 3.51Å; L90-I138 HydrophobicContact CD2-CG2 4.02Å; L90-I138 HydrophobicContact CG-CD1 4.21Å; I121-I138 HydrophobicContact CD1-CB 4.33Å; I121-I138 HydrophobicContact CD1-CG1 4.28Å; I121-I138 HydrophobicContact CD1-CG2 4.03Å; I121-I138 HydrophobicContact CG2-CG1 4.28Å; A134-I138 WeakPolarHBondContact O-CB 3.44Å; A134-I138 VanDerWaalsContact O-CD1 3.22Å; A134-I138 WeakPolarHBondContact O-CD1 3.24Å; A134-I138 WeakPolarHBondContact O-CG1 3.41Å; A134-I138 PolarHBondContact O-N 3.24Å; I135-I138 PolarHBondContact O-N 2.83Å; I138-A141 PolarHBondContact O-N 3.14Å; I138-C142 WeakPolarHBondContact O-CB 3.45Å; I138-C142 PolarHBondContact O-N 2.75Å; I138-F161 HydrophobicContact CG2-CD1 4.21Å; I138-F161 HydrophobicContact CG2-CE1 3.72Å; I138-L170 HydrophobicContact CD1-CB 3.93Å; I138-L170 HydrophobicContact CD1-CD1 4.32Å; I138-L170 HydrophobicContact CD1-CD2 4.47Å; I138-L170 HydrophobicContact CD1-CG 4.48Å; I138-S174 WeakPolarHBondContact CG2-OG 3.07Å
139V98.9Very high98.8Very high11 Ų1130.2 Ų30.27%0.06715%0.151CC..Hα-helixtrans-63.7-42.6178168.20000110.8I135 A141 C142 C143 W177 L178I135-V139 HydrophobicContact CG2-CG2 4.41Å; I135-V139 WeakPolarHBondContact O-CB 3.36Å; I135-V139 VanDerWaalsContact O-CG2 3.29Å; I135-V139 WeakPolarHBondContact O-CG2 3.33Å; I135-V139 PolarHBondContact O-N 3.08Å; V139-A141 PolarHBondContact O-N 3.08Å; V139-C142 PolarHBondContact O-N 3.13Å; V139-C143 WeakPolarHBondContact O-CB 3.25Å; V139-C143 PolarHBondContact O-N 2.69Å; V139-C143 PolarHBondContact O-SG 3.37Å; V139-W177 HydrophobicContact CG2-CB 4.38Å; V139-W177 HydrophobicContact CG2-CG 4.16Å; V139-L178 HydrophobicContact CG1-CD2 3.81Å; V139-L178 HydrophobicContact CG2-CD2 4.44Å; V139-L178 HydrophobicContact CG2-CG 4.34Å
140A98.8Very high98.7Very high31 Ų3138.6 Ų38.626%0.25619%0.19SC..Hα-helixtrans-61.6-43.9175.900000111.7T67 E136 E137 C143 Y144T67-A140 HydrophobicContact CG2-CB 3.94Å; E136-A140 WeakPolarHBondContact O-CB 3.46Å; E136-A140 PolarHBondContact O-N 3.5Å; E137-A140 PolarHBondContact O-N 2.8Å; A140-C143 PolarHBondContact O-N 3.23Å; A140-Y144 VanDerWaalsContact O-CB 3.26Å; A140-Y144 WeakPolarHBondContact O-CB 3.37Å; A140-Y144 PolarHBondContact O-N 3.09Å
141A98.8Very high98.7Very high0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-65.6-43.4177.900000112.4V65 I121 E137 I138 V139 C143 Y144 F145V65-A141 HydrophobicContact CB-CB 4.48Å; V65-A141 HydrophobicContact CG1-CB 3.93Å; I121-A141 HydrophobicContact CD1-CB 4.09Å; E137-A141 WeakPolarHBondContact O-CB 3.48Å; E137-A141 PolarHBondContact O-N 3.07Å; I138-A141 PolarHBondContact O-N 3.14Å; V139-A141 PolarHBondContact O-N 3.08Å; A141-C143 PolarHBondContact O-N 3.37Å; A141-Y144 PolarHBondContact O-N 2.85Å; A141-F145 WeakPolarHBondContact O-CD2 3.41Å; A141-F145 PolarHBondContact O-N 3.04Å
142C98.8Very high98.7Very high0 Ų041.3 Ų41.30%021%0.21CC..Hα-helixtrans-56.9-50.8175-179.10000111.5F88 I138 V139 Y144 F145 H146 M156 I159 F161F88-C142 HydrophobicContact CE2-CB 4.11Å; F88-C142 VanDerWaalsContact CE2-SG 3.59Å; F88-C142 HydrophobicContact CZ-CB 4.14Å; I138-C142 WeakPolarHBondContact O-CB 3.45Å; I138-C142 PolarHBondContact O-N 2.75Å; V139-C142 PolarHBondContact O-N 3.13Å; C142-Y144 PolarHBondContact O-N 3.37Å; C142-F145 PolarHBondContact O-N 3.36Å; C142-H146 PolarHBondContact O-N 3.04Å; C142-M156 VanDerWaalsContact O-CE 3.23Å; C142-M156 WeakPolarHBondContact O-CE 3.32Å; C142-I159 WeakPolarHBondContact SG-CD1 3.26Å; C142-F161 HydrophobicContact CB-CZ 4.28Å
143C98.7Very high98.6Very high30 Ų3047.7 Ų47.720%0.20324%0.236CC..Hα-helixtrans-68.5-33.7179.7-69.20000113.4V139 A140 A141 H146 Q147 C185V139-C143 WeakPolarHBondContact O-CB 3.25Å; V139-C143 PolarHBondContact O-N 2.69Å; V139-C143 PolarHBondContact O-SG 3.37Å; A140-C143 PolarHBondContact O-N 3.23Å; A141-C143 PolarHBondContact O-N 3.37Å; C143-H146 PolarHBondContact O-N 3.29Å; C143-Q147 WeakPolarHBondContact O-CB 3.35Å; C143-Q147 PolarHBondContact O-N 3.21Å; C143-C185 WeakPolarHBondContact CA-SG 3.34Å; C143-C185 HydrophobicContact CB-CB 4.1Å; C143-C185 WeakPolarHBondContact CB-SG 3.41Å; C143-C185 WeakPolarHBondContact SG-CB 3.33Å; C143-C185 CovalentContact SG-SG 2.05Å; C143-C185 PolarHBondContact SG-SG 3.44Å
144Y98.8Very high98.6Very high61 Ų6146.9 Ų46.924%0.23923%0.233CC..Hα-helixtrans-60.8-51.4171.9176.2-95.2000111.1V65 P66 A140 A141 C142 H146 Q147 Q148 Y152V65-Y144 HydrophobicContact CB-CD1 4.28Å; V65-Y144 HydrophobicContact CG1-CD1 3.46Å; V65-Y144 VanDerWaalsContact CG1-CD1 3.46Å; V65-Y144 HydrophobicContact CG1-CD2 4.44Å; V65-Y144 HydrophobicContact CG1-CE1 4.15Å; V65-Y144 HydrophobicContact CG1-CG 3.62Å; V65-Y144 HydrophobicContact CG2-CD1 3.97Å; V65-Y144 HydrophobicContact CG2-CE1 4.11Å; P66-Y144 HydrophobicContact CG-CD2 3.96Å; P66-Y144 HydrophobicContact CG-CE2 3.87Å; A140-Y144 VanDerWaalsContact O-CB 3.26Å; A140-Y144 WeakPolarHBondContact O-CB 3.37Å; A140-Y144 PolarHBondContact O-N 3.09Å; A141-Y144 PolarHBondContact O-N 2.85Å; C142-Y144 PolarHBondContact O-N 3.37Å; Y144-H146 VanDerWaalsContact C-N 3.29Å; Y144-H146 PolarHBondContact O-N 3.01Å; Y144-Q147 PolarHBondContact O-N 3.08Å; Y144-Q148 HydrophobicContact CD1-CG 4.42Å; Y144-Q148 HydrophobicContact CD2-CG 4.15Å; Y144-Q148 HydrophobicContact CE1-CG 4.13Å; Y144-Q148 HydrophobicContact CE2-CG 3.81Å; Y144-Q148 HydrophobicContact CG-CG 4.43Å; Y144-Q148 WeakPolarHBondContact O-CB 3.35Å; Y144-Q148 VanDerWaalsContact O-CG 3.31Å; Y144-Q148 WeakPolarHBondContact O-CG 3.2Å; Y144-Q148 PolarHBondContact O-N 3.25Å; Y144-Y152 HydrophobicContact CD1-CE2 4.37Å; Y144-Y152 AromaticContact CE1-CE2 3.54Å; Y144-Y152 HydrophobicContact CE1-CE2 3.54Å; Y144-Y152 AromaticContact CE1-CZ 3.8Å; Y144-Y152 WeakPolarHBondContact CE1-OH 3.46Å; Y144-Y152 PolarHBondContact OH-OH 3.31Å
145F98.8Very high98.6Very high0 Ų049 Ų490%024%0.244CC..Hα-helixtrans-61.8-35.8176.9-81.4-61.1000112.7V65 T74 F88 I119 A141 C142 Q148 A149 Y152 I154 M156V65-F145 HydrophobicContact CG2-CE2 3.84Å; V65-F145 HydrophobicContact CG2-CZ 3.83Å; T74-F145 HydrophobicContact CG2-CE2 4.09Å; F88-F145 AromaticContact CE1-CD2 3.83Å; F88-F145 HydrophobicContact CE1-CD2 3.83Å; F88-F145 HydrophobicContact CE1-CE2 4.48Å; F88-F145 HydrophobicContact CZ-CB 4.34Å; F88-F145 HydrophobicContact CZ-CD2 4.35Å; I119-F145 HydrophobicContact CD1-CD1 4.15Å; I119-F145 HydrophobicContact CD1-CD2 3.86Å; I119-F145 HydrophobicContact CD1-CE1 4.16Å; I119-F145 HydrophobicContact CD1-CE2 3.86Å; I119-F145 HydrophobicContact CD1-CG 4.01Å; I119-F145 HydrophobicContact CD1-CZ 4.02Å; I119-F145 HydrophobicContact CG2-CE2 3.83Å; I119-F145 HydrophobicContact CG2-CZ 4.29Å; A141-F145 WeakPolarHBondContact O-CD2 3.41Å; A141-F145 PolarHBondContact O-N 3.04Å; C142-F145 PolarHBondContact O-N 3.36Å; F145-Q148 CarbonylContact O-C 3.55Å; F145-Q148 PolarHBondContact O-N 3.27Å; F145-A149 WeakPolarHBondContact O-CA 3.22Å; F145-A149 WeakPolarHBondContact O-CB 3.47Å; F145-A149 PolarHBondContact O-N 2.68Å; F145-Y152 AromaticContact CD1-CD2 3.72Å; F145-Y152 HydrophobicContact CD1-CD2 3.72Å; F145-Y152 HydrophobicContact CD1-CE2 4.1Å; F145-Y152 HydrophobicContact CD1-CG 4.01Å; F145-Y152 HydrophobicContact CE1-CD1 4.04Å; F145-Y152 AromaticContact CE1-CD2 3.91Å; F145-Y152 HydrophobicContact CE1-CD2 3.91Å; F145-Y152 HydrophobicContact CE1-CE1 4.18Å; F145-Y152 HydrophobicContact CE1-CE2 4.07Å; F145-Y152 AromaticContact CE1-CG 3.91Å; F145-Y152 HydrophobicContact CE1-CG 3.91Å; F145-I154 HydrophobicContact CB-CD1 3.91Å; F145-I154 HydrophobicContact CD1-CD1 3.64Å; F145-I154 HydrophobicContact CG-CD1 4.03Å; F145-M156 HydrophobicContact CB-CE 4.1Å; F145-M156 HydrophobicContact CB-CG 4.39Å; F145-M156 HydrophobicContact CB-SD 4.16Å
146H98.8Very high98.6Very high64 Ų6449.3 Ų49.330%0.29625%0.245SC..Hα-helixtrans-61.8-46.4174.8-178.282.5000111.1C142 C143 Y144 Q148 M156 C185 G186C142-H146 PolarHBondContact O-N 3.04Å; C143-H146 PolarHBondContact O-N 3.29Å; Y144-H146 VanDerWaalsContact C-N 3.29Å; Y144-H146 PolarHBondContact O-N 3.01Å; H146-Q148 VanDerWaalsContact C-N 3.32Å; H146-Q148 PolarHBondContact O-N 3.47Å; H146-M156 HydrophobicContact CB-CB 4.26Å; H146-M156 HydrophobicContact CB-CE 3.75Å; H146-M156 PolarHBondContact ND1-O 2.93Å; H146-C185 HydrophobicContact CB-CB 4.08Å; H146-C185 PolarHBondContact ND1-O 2.9Å; H146-G186 PolarHBondContact ND1-N 3.05Å
147Q98.5Very high98.6Very high145 Ų14550.9 Ų50.968%0.67826%0.26SS*.Hα-helixtrans-69.6-28.4179.9-170.958.578.700113.3C143 Y144C143-Q147 WeakPolarHBondContact O-CB 3.35Å; C143-Q147 PolarHBondContact O-N 3.21Å; Y144-Q147 PolarHBondContact O-N 3.08Å
148Q98.3Very high98.6Very high56 Ų5654 Ų5426%0.26227%0.272SS..THydrogen-bonded Turntrans-107.419.6-178.1-52.8-51.9-51.300112.9Y144 F145 H146 E150 D151 Y152Y144-Q148 HydrophobicContact CD1-CG 4.42Å; Y144-Q148 HydrophobicContact CD2-CG 4.15Å; Y144-Q148 HydrophobicContact CE1-CG 4.13Å; Y144-Q148 HydrophobicContact CE2-CG 3.81Å; Y144-Q148 HydrophobicContact CG-CG 4.43Å; Y144-Q148 WeakPolarHBondContact O-CB 3.35Å; Y144-Q148 VanDerWaalsContact O-CG 3.31Å; Y144-Q148 WeakPolarHBondContact O-CG 3.2Å; Y144-Q148 PolarHBondContact O-N 3.25Å; F145-Q148 CarbonylContact O-C 3.55Å; F145-Q148 PolarHBondContact O-N 3.27Å; H146-Q148 VanDerWaalsContact C-N 3.32Å; H146-Q148 PolarHBondContact O-N 3.47Å; Q148-E150 PolarHBondContact O-N 3.16Å; Q148-E150 VanDerWaalsContact O-N 3.13Å; Q148-D151 PolarHBondContact O-N 2.98Å; Q148-D151 VanDerWaalsContact O-N 3.08Å; Q148-D151 PolarHBondContact OE1-OD2 3.43Å; Q148-Y152 HydrophobicContact CB-CD2 3.66Å; Q148-Y152 HydrophobicContact CB-CE2 3.56Å; Q148-Y152 HydrophobicContact CG-CE2 4.26Å; Q148-Y152 VanDerWaalsContact O-CD2 3.28Å; Q148-Y152 WeakPolarHBondContact O-CD2 3.42Å; Q148-Y152 PolarHBondContact O-N 3.13Å
149A98.5Very high98.6Very high21 Ų2154 Ų5417%0.17427%0.272CS..THydrogen-bonded Turntrans-56.8-37-168.300000113.5F145 Q153 I154 M156F145-A149 WeakPolarHBondContact O-CA 3.22Å; F145-A149 WeakPolarHBondContact O-CB 3.47Å; F145-A149 PolarHBondContact O-N 2.68Å; A149-Q153 PolarHBondContact O-N 3.09Å; A149-I154 HydrophobicContact CB-CG1 4.38Å; A149-I154 PolarHBondContact O-N 3.06Å; A149-M156 HydrophobicContact CB-CB 4.03Å; A149-M156 HydrophobicContact CB-CG 4.1Å
150E98Very high98.6Very high177 Ų17753.4 Ų53.483%0.82727%0.269SS*.THydrogen-bonded Turntrans-67.4-44177.9-170.3171.1-177.300112.3Q148 Y152 Q153Q148-E150 PolarHBondContact O-N 3.16Å; Q148-E150 VanDerWaalsContact O-N 3.13Å; E150-Y152 PolarHBondContact O-N 3.06Å; E150-Q153 PolarHBondContact O-N 2.97Å
151D98.1Very high98.6Very high125 Ų12552 Ų5267%0.66826%0.256SS*.THydrogen-bonded Turntrans-62.1-33179.3-720.6000112.2Q148Q148-D151 PolarHBondContact O-N 2.98Å; Q148-D151 VanDerWaalsContact O-N 3.08Å; Q148-D151 PolarHBondContact OE1-OD2 3.43Å
152Y98.1Very high98.6Very high38 Ų3852 Ų5215%0.14926%0.256CS..THydrogen-bonded Turntrans-92.6-3.9176.9-68.5-70.9000114Y63 Y144 F145 Q148 E150 I154Y63-Y152 HydrophobicContact CD1-CD1 4.35Å; Y63-Y152 AromaticContact CD1-CE1 3.57Å; Y63-Y152 HydrophobicContact CD1-CE1 3.57Å; Y63-Y152 AromaticContact CD2-CD1 3.78Å; Y63-Y152 HydrophobicContact CD2-CD1 3.78Å; Y63-Y152 AromaticContact CD2-CE1 3.59Å; Y63-Y152 HydrophobicContact CD2-CE1 3.59Å; Y63-Y152 HydrophobicContact CE1-CD1 4.07Å; Y63-Y152 AromaticContact CE1-CE1 3.63Å; Y63-Y152 HydrophobicContact CE1-CE1 3.63Å; Y63-Y152 AromaticContact CE2-CD1 3.48Å; Y63-Y152 HydrophobicContact CE2-CD1 3.48Å; Y63-Y152 VanDerWaalsContact CE2-CD1 3.48Å; Y63-Y152 AromaticContact CE2-CE1 3.67Å; Y63-Y152 HydrophobicContact CE2-CE1 3.67Å; Y63-Y152 HydrophobicContact CG-CD1 4.21Å; Y63-Y152 AromaticContact CG-CE1 3.53Å; Y63-Y152 HydrophobicContact CG-CE1 3.53Å; Y63-Y152 AromaticContact CZ-CD1 3.62Å; Y63-Y152 AromaticContact CZ-CE1 3.67Å; Y144-Y152 HydrophobicContact CD1-CE2 4.37Å; Y144-Y152 AromaticContact CE1-CE2 3.54Å; Y144-Y152 HydrophobicContact CE1-CE2 3.54Å; Y144-Y152 AromaticContact CE1-CZ 3.8Å; Y144-Y152 WeakPolarHBondContact CE1-OH 3.46Å; Y144-Y152 PolarHBondContact OH-OH 3.31Å; F145-Y152 AromaticContact CD1-CD2 3.72Å; F145-Y152 HydrophobicContact CD1-CD2 3.72Å; F145-Y152 HydrophobicContact CD1-CE2 4.1Å; F145-Y152 HydrophobicContact CD1-CG 4.01Å; F145-Y152 HydrophobicContact CE1-CD1 4.04Å; F145-Y152 AromaticContact CE1-CD2 3.91Å; F145-Y152 HydrophobicContact CE1-CD2 3.91Å; F145-Y152 HydrophobicContact CE1-CE1 4.18Å; F145-Y152 HydrophobicContact CE1-CE2 4.07Å; F145-Y152 AromaticContact CE1-CG 3.91Å; F145-Y152 HydrophobicContact CE1-CG 3.91Å; Q148-Y152 HydrophobicContact CB-CD2 3.66Å; Q148-Y152 HydrophobicContact CB-CE2 3.56Å; Q148-Y152 HydrophobicContact CG-CE2 4.26Å; Q148-Y152 VanDerWaalsContact O-CD2 3.28Å; Q148-Y152 WeakPolarHBondContact O-CD2 3.42Å; Q148-Y152 PolarHBondContact O-N 3.13Å; E150-Y152 PolarHBondContact O-N 3.06Å; Y152-I154 VanDerWaalsContact C-N 3.3Å; Y152-I154 PolarHBondContact O-N 3.03Å
153Q98Very high98.6Very high171 Ų17152 Ų5280%0.79926%0.256SS*.THydrogen-bonded Turntrans51.845.4-175.7-53.5-170.6-59.200113.1A149 E150A149-Q153 PolarHBondContact O-N 3.09Å; E150-Q153 PolarHBondContact O-N 2.97Å
154I98.5Very high98.6Very high16 Ų1650.7 Ų50.78%0.08225%0.247CC..  trans-119.8155.6178.857.6176.1000111.8L76 T117 I119 F145 A149 Y152 M156L76-I154 HydrophobicContact CD1-CG2 3.9Å; T117-I154 HydrophobicContact CG2-CG2 3.99Å; I119-I154 HydrophobicContact CD1-CD1 4.12Å; F145-I154 HydrophobicContact CB-CD1 3.91Å; F145-I154 HydrophobicContact CD1-CD1 3.64Å; F145-I154 HydrophobicContact CG-CD1 4.03Å; A149-I154 HydrophobicContact CB-CG1 4.38Å; A149-I154 PolarHBondContact O-N 3.06Å; Y152-I154 VanDerWaalsContact C-N 3.3Å; Y152-I154 PolarHBondContact O-N 3.03Å; I154-M156 HydrophobicContact CD1-CG 3.83Å; I154-M156 HydrophobicContact CD1-SD 4.23Å; I154-M156 HydrophobicContact CG1-CG 4.06Å
155N98.7Very high98.6Very high48 Ų4848.3 Ų48.326%0.25724%0.24SC..  trans-95.8107.3174.1-170.7-15.4000110.6S83 P84 A85 T86 S157S83-N155 WeakPolarHBondContact O-CB 3.48Å; S83-N155 PolarHBondContact O-ND2 2.8Å; P84-N155 PolarHBondContact O-ND2 2.86Å; P84-N155 VanDerWaalsContact O-ND2 3.1Å; A85-N155 CarbonylContact C-O 3.55Å; T86-N155 PolarHBondContact N-O 2.51Å; T86-N155 PolarHBondContact OG1-O 2.76Å; N155-S157 WeakPolarHBondContact OD1-CB 3.5Å; N155-S157 PolarHBondContact OD1-N 2.82Å; N155-S157 PolarHBondContact OD1-OG 3.44Å
156M98.7Very high98.6Very high5 Ų548.3 Ų48.33%0.02524%0.24CC..  trans-104.210176.6-73.9-68.2-65.400113.3T86 F88 C142 F145 H146 A149 I154 R158 I159 G186T86-M156 HydrophobicContact CG2-SD 3.88Å; F88-M156 HydrophobicContact CE2-CE 3.79Å; F88-M156 HydrophobicContact CE2-SD 4.03Å; F88-M156 HydrophobicContact CZ-CE 3.63Å; F88-M156 HydrophobicContact CZ-SD 3.76Å; C142-M156 VanDerWaalsContact O-CE 3.23Å; C142-M156 WeakPolarHBondContact O-CE 3.32Å; F145-M156 HydrophobicContact CB-CE 4.1Å; F145-M156 HydrophobicContact CB-CG 4.39Å; F145-M156 HydrophobicContact CB-SD 4.16Å; H146-M156 HydrophobicContact CB-CB 4.26Å; H146-M156 HydrophobicContact CB-CE 3.75Å; H146-M156 PolarHBondContact ND1-O 2.93Å; A149-M156 HydrophobicContact CB-CB 4.03Å; A149-M156 HydrophobicContact CB-CG 4.1Å; I154-M156 HydrophobicContact CD1-CG 3.83Å; I154-M156 HydrophobicContact CD1-SD 4.23Å; I154-M156 HydrophobicContact CG1-CG 4.06Å; M156-R158 VanDerWaalsContact C-N 3.28Å; M156-I159 HydrophobicContact CE-CG2 3.57Å; M156-I159 HydrophobicContact SD-CG2 3.67Å; M156-G186 WeakPolarHBondContact O-CA 3.42Å
157S98.5Very high98.6Very high68 Ų6845.3 Ų45.348%0.47623%0.226SC..SBendtrans-67.9-31.7174.467.80000112.2N155 K187N155-S157 WeakPolarHBondContact OD1-CB 3.5Å; N155-S157 PolarHBondContact OD1-N 2.82Å; N155-S157 PolarHBondContact OD1-OG 3.44Å; S157-K187 PolarHBondContact O-N 2.87Å
158R98.7Very high98.6Very high66 Ų6638.4 Ų38.425%0.24919%0.194CC..EExtended strand (participates in β ladder)trans-127.5133.4171.4-69.3171.3-64.6-160.6-2.7108.2P84 A85 T86 M156 K187 A189 L319P84-R158 PolarHBondContact O-NE 3.12Å; P84-R158 PolarHBondContact O-NH2 3.16Å; A85-R158 VanDerWaalsContact CA-O 3.26Å; A85-R158 WeakPolarHBondContact CA-O 3.29Å; A85-R158 HydrophobicContact CB-CB 3.92Å; A85-R158 VanDerWaalsContact CB-O 3.28Å; A85-R158 WeakPolarHBondContact CB-O 3.47Å; T86-R158 PolarHBondContact N-O 2.9Å; T86-R158 VanDerWaalsContact N-O 3.1Å; M156-R158 VanDerWaalsContact C-N 3.28Å; R158-K187 WeakPolarHBondContact CA-O 3.39Å; R158-A189 HydrophobicContact CB-CB 4.43Å; R158-L319 HydrophobicContact CB-CD2 4.14Å; R158-L319 VanDerWaalsContact NH1-C 3.32Å; R158-L319 PolarHBondContact NH1-O 3.16Å
159I98.9Very high98.7Very high0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-129.1164.9179.365.6171.3000111T86 F88 C142 M156 F161 L178 K187 I188 A189T86-I159 CarbonylContact O-C 3.58Å; T86-I159 WeakPolarHBondContact O-CA 3.43Å; F88-I159 HydrophobicContact CE2-CB 4.28Å; F88-I159 HydrophobicContact CE2-CG2 4.21Å; C142-I159 WeakPolarHBondContact SG-CD1 3.26Å; M156-I159 HydrophobicContact CE-CG2 3.57Å; M156-I159 HydrophobicContact SD-CG2 3.67Å; I159-F161 HydrophobicContact CD1-CE2 4.03Å; I159-F161 HydrophobicContact CD1-CZ 4.29Å; I159-L178 HydrophobicContact CD1-CD1 4.45Å; I159-K187 PolarHBondContact N-O 3.03Å; I159-I188 HydrophobicContact CD1-CG1 4.01Å; I159-I188 HydrophobicContact CG1-CB 4.47Å; I159-I188 HydrophobicContact CG1-CG1 4.01Å; I159-I188 CarbonylContact O-C 3.56Å; I159-I188 WeakPolarHBondContact O-CA 3.24Å; I159-A189 PolarHBondContact O-N 3.12Å
160G98.9Very high98.7Very high0 Ų034.8 Ų34.80%017%0.173CC..EExtended strand (participates in β ladder)trans-140.7164.9164.200000111.5T86 L87 F88 G190T86-G160 PolarHBondContact O-N 2.79Å; L87-G160 VanDerWaalsContact CD1-C 3.49Å; F88-G160 PolarHBondContact N-O 2.87Å; G160-G190 WeakPolarHBondContact CA-O 3.48Å
161F99Very high98.7Very high0 Ų026.3 Ų26.30%013%0.134CC..EExtended strand (participates in β ladder)trans-117.5139.8167.4-66-84000109.2F88 L90 I138 C142 I159 A171 A175 L178 I188 G190 V191 L192F88-F161 HydrophobicContact CB-CD1 3.8Å; F88-F161 HydrophobicContact CB-CE1 4.02Å; F88-F161 HydrophobicContact CD2-CD1 4.38Å; F88-F161 AromaticContact CD2-CE1 3.98Å; F88-F161 HydrophobicContact CD2-CE1 3.98Å; F88-F161 HydrophobicContact CD2-CZ 4.34Å; F88-F161 HydrophobicContact CG-CD1 4.43Å; F88-F161 HydrophobicContact CG-CE1 4.19Å; F88-F161 CarbonylContact O-C 3.55Å; F88-F161 WeakPolarHBondContact O-CA 3.46Å; L90-F161 HydrophobicContact CD1-CD1 4.41Å; I138-F161 HydrophobicContact CG2-CD1 4.21Å; I138-F161 HydrophobicContact CG2-CE1 3.72Å; C142-F161 HydrophobicContact CB-CZ 4.28Å; I159-F161 HydrophobicContact CD1-CE2 4.03Å; I159-F161 HydrophobicContact CD1-CZ 4.29Å; F161-A171 HydrophobicContact CB-CB 3.81Å; F161-A175 HydrophobicContact CD2-CB 4Å; F161-A175 HydrophobicContact CE2-CB 4.43Å; F161-L178 HydrophobicContact CE2-CD1 3.79Å; F161-L178 HydrophobicContact CZ-CD1 3.77Å; F161-I188 HydrophobicContact CD2-CG2 4.37Å; F161-I188 HydrophobicContact CE2-CD1 4.19Å; F161-I188 HydrophobicContact CE2-CG1 4.43Å; F161-G190 PolarHBondContact N-O 2.67Å; F161-V191 HydrophobicContact CB-CG1 4.34Å; F161-V191 CarbonylContact O-C 3.52Å; F161-V191 WeakPolarHBondContact O-CA 3.3Å; F161-L192 PolarHBondContact O-N 3.24Å
162A99Very high98.8Very high0 Ų020.4 Ų20.40%010%0.102CC..EExtended strand (participates in β ladder)trans-136.3142.8-178.200000108.5L87 F88 Y89 L90 L192 W194L87-A162 HydrophobicContact CD1-CB 3.84Å; L87-A162 HydrophobicContact CD2-CB 4.07Å; L87-A162 HydrophobicContact CG-CB 3.96Å; F88-A162 PolarHBondContact O-N 2.87Å; Y89-A162 CarbonylContact C-O 3.57Å; Y89-A162 WeakPolarHBondContact CA-O 3.45Å; Y89-A162 HydrophobicContact CD2-CB 3.76Å; Y89-A162 HydrophobicContact CE2-CB 4.35Å; L90-A162 PolarHBondContact N-O 2.9Å; A162-L192 WeakPolarHBondContact CA-O 3.38Å; A162-L192 HydrophobicContact CB-CB 3.97Å; A162-L192 HydrophobicContact CB-CD1 4.25Å; A162-L192 HydrophobicContact CB-CG 4.38Å; A162-W194 HydrophobicContact CB-CH2 4.32Å; A162-W194 HydrophobicContact CB-CZ3 3.95Å
163G98.9Very high98.8Very high0 Ų018.6 Ų18.60%010%0.095CC..EExtended strand (participates in β ladder)trans-175.3163.8174.600000113.1L90 A168 L192 W194L90-G163 WeakPolarHBondContact O-CA 3.44Å; G163-A168 WeakPolarHBondContact O-CB 3.49Å; G163-L192 PolarHBondContact N-O 3.28Å; G163-W194 VanDerWaalsContact O-CE3 3.32Å; G163-W194 PolarHBondContact O-N 3.06Å; G163-W194 VanDerWaalsContact O-N 3.09Å
164D98.9Very high98.8Very high3 Ų310.4 Ų10.42%0.0166%0.057CC..EExtended strand (participates in β ladder)trans-121.9140.9-176.472.8-77.4000110.7Y89 G92 H103 A166 G167 W194 Y195 L295Y89-D164 PolarHBondContact OH-OD1 2.65Å; G92-D164 WeakPolarHBondContact CA-O 3.48Å; G92-D164 PolarHBondContact N-O 3.42Å; G92-D164 PolarHBondContact N-OD1 3.16Å; H103-D164 IonicContact CD2-OD1 2.83Å; H103-D164 PolarHBondContact CD2-OD1 3.22Å; H103-D164 IonicContact CD2-OD2 3.34Å; H103-D164 IonicContact NE2-OD1 3.52Å; H103-D164 PolarHBondContact NE2-OD1 2.87Å; H103-D164 IonicContact NE2-OD2 2.75Å; H103-D164 PolarHBondContact NE2-OD2 3.48Å; D164-A166 PolarHBondContact O-N 3.36Å; D164-G167 WeakPolarHBondContact O-CA 3.34Å; D164-G167 PolarHBondContact O-N 2.91Å; D164-W194 CarbonylContact C-O 3.6Å; D164-W194 WeakPolarHBondContact CA-O 3.34Å; D164-W194 HydrophobicContact CB-CB 4.25Å; D164-Y195 HydrophobicContact CB-CE2 3.58Å; D164-L295 HydrophobicContact CB-CD2 4.39Å
165S98.8Very high98.9Very high11 Ų119.7 Ų9.78%0.0775%0.053CC..THydrogen-bonded Turntrans54.1-122-179.7-170.40000112.1G167 A168 M169 W194 L197 H292S165-G167 PolarHBondContact O-N 2.96Å; S165-A168 VanDerWaalsContact O-CB 3.32Å; S165-A168 WeakPolarHBondContact O-CB 3.27Å; S165-A168 PolarHBondContact O-N 3.33Å; S165-M169 PolarHBondContact O-N 3.43Å; S165-W194 PolarHBondContact N-O 3.03Å; S165-L197 WeakPolarHBondContact O-CD2 3.39Å; S165-H292 VanDerWaalsContact CB-NE2 3.26Å; S165-H292 WeakPolarHBondContact CB-NE2 3.39Å; S165-H292 PolarHBondContact OG-CE1 2.88Å; S165-H292 VanDerWaalsContact OG-CE1 3.23Å; S165-H292 PolarHBondContact OG-NE2 3.14Å
166A98.9Very high98.9Very high1 Ų17.4 Ų7.41%0.0084%0.041CC..Hα-helixtrans-51.1-37.817000000113.5F95 D164 A168 M169 L170F95-A166 HydrophobicContact CD1-CB 3.69Å; F95-A166 HydrophobicContact CD2-CB 4.39Å; F95-A166 HydrophobicContact CE1-CB 3.43Å; F95-A166 VanDerWaalsContact CE1-CB 3.43Å; F95-A166 HydrophobicContact CE2-CB 4.16Å; F95-A166 HydrophobicContact CG-CB 4.14Å; F95-A166 HydrophobicContact CZ-CB 3.65Å; D164-A166 PolarHBondContact O-N 3.36Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 3.3Å; A166-M169 WeakPolarHBondContact O-CB 3.43Å; A166-M169 PolarHBondContact O-N 2.56Å; A166-L170 WeakPolarHBondContact O-CG 3.19Å; A166-L170 PolarHBondContact O-N 2.8Å; A166-L170 VanDerWaalsContact O-N 3.09Å
167G98.9Very high98.9Very high0 Ų08.2 Ų8.20%04%0.044CC..Hα-helixtrans-65-32.6175.800000113.5L90 D164 S165 L170 A171L90-G167 VanDerWaalsContact O-CA 3.25Å; L90-G167 WeakPolarHBondContact O-CA 3.44Å; D164-G167 WeakPolarHBondContact O-CA 3.34Å; D164-G167 PolarHBondContact O-N 2.91Å; S165-G167 PolarHBondContact O-N 2.96Å; G167-L170 PolarHBondContact O-N 3.33Å; G167-A171 WeakPolarHBondContact O-CB 3.44Å; G167-A171 PolarHBondContact O-N 2.75Å
168A98.9Very high98.9Very high0 Ų05.2 Ų5.20%02%0.022CC..Hα-helixtrans-67.3-37.4174.100000111.4G163 S165 A166 A171 L172 L193 Y198G163-A168 WeakPolarHBondContact O-CB 3.49Å; S165-A168 VanDerWaalsContact O-CB 3.32Å; S165-A168 WeakPolarHBondContact O-CB 3.27Å; S165-A168 PolarHBondContact O-N 3.33Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 3.3Å; A168-A171 PolarHBondContact O-N 2.84Å; A168-L172 PolarHBondContact O-N 2.96Å; A168-L172 VanDerWaalsContact O-N 3.13Å; A168-L193 HydrophobicContact CB-CB 4.33Å; A168-L193 HydrophobicContact CB-CD2 3.95Å; A168-L193 WeakPolarHBondContact O-CD2 3.5Å; A168-Y198 HydrophobicContact CB-CE1 4.4Å
169M98.9Very high98.9Very high1 Ų13.4 Ų3.41%0.0052%0.015CC..Hα-helixtrans-59.9-50.7170.8-174.3-125.3-95.200110.5F95 S165 A166 A171 L172 A173 L197 Y228 Y240F95-M169 HydrophobicContact CE1-CE 3.7Å; F95-M169 HydrophobicContact CE1-SD 3.91Å; F95-M169 HydrophobicContact CE2-CE 4.21Å; F95-M169 HydrophobicContact CZ-CE 3.29Å; F95-M169 HydrophobicContact CZ-SD 4.11Å; S165-M169 PolarHBondContact O-N 3.43Å; A166-M169 WeakPolarHBondContact O-CB 3.43Å; A166-M169 PolarHBondContact O-N 2.56Å; M169-A171 VanDerWaalsContact C-N 3.25Å; M169-A171 PolarHBondContact O-N 2.67Å; M169-L172 PolarHBondContact O-N 3.46Å; M169-A173 WeakPolarHBondContact O-CB 3.41Å; M169-A173 PolarHBondContact O-N 3.15Å; M169-L197 HydrophobicContact CB-CD2 4.3Å; M169-L197 VanDerWaalsContact CB-O 3.24Å; M169-L197 WeakPolarHBondContact CB-O 3.3Å; M169-Y228 HydrophobicContact CE-CD1 4.49Å; M169-Y228 HydrophobicContact CE-CE1 4.05Å; M169-Y228 HydrophobicContact SD-CE1 4.27Å; M169-Y240 HydrophobicContact CE-CD2 3.21Å; M169-Y240 HydrophobicContact CE-CE2 3.23Å; M169-Y240 HydrophobicContact CE-CG 4.34Å; M169-Y240 HydrophobicContact SD-CD2 4.27Å
170L99Very high98.9Very high0 Ų06.1 Ų6.10%03%0.03CC..Hα-helixtrans-60.6-35.7179.6-64.3173.1000111.9L90 Y123 A134 I135 I138 A166 G167 S174L90-L170 HydrophobicContact CB-CB 4.34Å; L90-L170 VanDerWaalsContact CD1-C 3.43Å; L90-L170 HydrophobicContact CD1-CB 3.75Å; Y123-L170 HydrophobicContact CD1-CD1 3.97Å; Y123-L170 HydrophobicContact CD2-CD1 4.21Å; Y123-L170 HydrophobicContact CE1-CD1 3.55Å; Y123-L170 HydrophobicContact CE2-CD1 3.83Å; Y123-L170 HydrophobicContact CG-CD1 4.29Å; Y123-L170 VanDerWaalsContact CZ-CD1 3.48Å; A134-L170 HydrophobicContact CB-CD2 4.14Å; I135-L170 HydrophobicContact CG1-CD2 3.84Å; I138-L170 HydrophobicContact CD1-CB 3.93Å; I138-L170 HydrophobicContact CD1-CD1 4.32Å; I138-L170 HydrophobicContact CD1-CD2 4.47Å; I138-L170 HydrophobicContact CD1-CG 4.48Å; A166-L170 WeakPolarHBondContact O-CG 3.19Å; A166-L170 PolarHBondContact O-N 2.8Å; A166-L170 VanDerWaalsContact O-N 3.09Å; G167-L170 PolarHBondContact O-N 3.33Å; L170-S174 WeakPolarHBondContact O-CB 3.28Å; L170-S174 PolarHBondContact O-N 2.98Å; L170-S174 PolarHBondContact O-OG 2.77Å
171A99Very high98.8Very high0 Ų011.1 Ų11.10%05%0.052CC..Hα-helixtrans-63.7-52.1178.500000111.6L90 F161 G167 A168 M169 A175 V191 L193L90-A171 HydrophobicContact CD1-CB 3.89Å; F161-A171 HydrophobicContact CB-CB 3.81Å; G167-A171 WeakPolarHBondContact O-CB 3.44Å; G167-A171 PolarHBondContact O-N 2.75Å; A168-A171 PolarHBondContact O-N 2.84Å; M169-A171 VanDerWaalsContact C-N 3.25Å; M169-A171 PolarHBondContact O-N 2.67Å; A171-A175 PolarHBondContact O-N 3.17Å; A171-A175 VanDerWaalsContact O-N 3.15Å; A171-V191 HydrophobicContact CB-CG1 4.05Å; A171-L193 HydrophobicContact CB-CD2 4.02Å
172L98.9Very high98.8Very high0 Ų018.2 Ų18.20%09%0.085CC..Hα-helixtrans-70.2-41.6178.8-173.557000111.3A168 M169 S174 A175 L176 L193 Y198 L242 L271A168-L172 PolarHBondContact O-N 2.96Å; A168-L172 VanDerWaalsContact O-N 3.13Å; M169-L172 PolarHBondContact O-N 3.46Å; L172-S174 VanDerWaalsContact C-N 3.32Å; L172-S174 PolarHBondContact O-N 2.84Å; L172-A175 PolarHBondContact O-N 3.11Å; L172-L176 HydrophobicContact CD1-CD1 4.36Å; L172-L176 HydrophobicContact CD1-CD2 4.44Å; L172-L176 HydrophobicContact CD1-CG 4.13Å; L172-L176 HydrophobicContact CG-CD1 4.04Å; L172-L176 HydrophobicContact CG-CG 4.26Å; L172-L176 VanDerWaalsContact O-CG 3.28Å; L172-L176 WeakPolarHBondContact O-CG 3.48Å; L172-L176 PolarHBondContact O-N 2.99Å; L172-L193 HydrophobicContact CB-CD1 4.39Å; L172-L193 HydrophobicContact CB-CD2 4.11Å; L172-L193 HydrophobicContact CD2-CD1 4.2Å; L172-Y198 HydrophobicContact CD2-CD1 4.28Å; L172-Y198 HydrophobicContact CD2-CE1 4.46Å; L172-L242 HydrophobicContact CB-CD1 3.72Å; L172-L242 HydrophobicContact CD2-CD1 3.69Å; L172-L242 HydrophobicContact CG-CD1 3.7Å; L172-L271 HydrophobicContact CD2-CD1 3.79Å; L172-L271 HydrophobicContact CD2-CD2 3.73Å; L172-L271 HydrophobicContact CD2-CG 4.44Å
173A98.9Very high98.7Very high0 Ų021.2 Ų21.20%010%0.1CC..Hα-helixtrans-59.1-42.5177.400000112.1I135 M169 L176 W177 Y239 L242I135-A173 HydrophobicContact CD1-CB 3.69Å; I135-A173 HydrophobicContact CG1-CB 4.12Å; M169-A173 WeakPolarHBondContact O-CB 3.41Å; M169-A173 PolarHBondContact O-N 3.15Å; A173-L176 PolarHBondContact O-N 3.42Å; A173-W177 VanDerWaalsContact O-CB 3.22Å; A173-W177 WeakPolarHBondContact O-CB 3.34Å; A173-W177 PolarHBondContact O-N 3.03Å; A173-Y239 WeakPolarHBondContact CB-O 3.45Å; A173-L242 HydrophobicContact CB-CD2 3.97Å
174S98.9Very high98.6Very high0 Ų027.2 Ų27.20%013%0.132CC..Hα-helixtrans-67-39.9177.6-57.80000112.2I138 L170 L172 W177 L178I138-S174 WeakPolarHBondContact CG2-OG 3.07Å; L170-S174 WeakPolarHBondContact O-CB 3.28Å; L170-S174 PolarHBondContact O-N 2.98Å; L170-S174 PolarHBondContact O-OG 2.77Å; L172-S174 VanDerWaalsContact C-N 3.32Å; L172-S174 PolarHBondContact O-N 2.84Å; S174-W177 PolarHBondContact O-N 3.41Å; S174-L178 WeakPolarHBondContact O-CG 3.35Å; S174-L178 PolarHBondContact O-N 3.4Å
175A98.9Very high98.5Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-64.7-45.7175.500000112.2F161 A171 L172 W177 L178 R179 I188 V191 P252F161-A175 HydrophobicContact CD2-CB 4Å; F161-A175 HydrophobicContact CE2-CB 4.43Å; A171-A175 PolarHBondContact O-N 3.17Å; A171-A175 VanDerWaalsContact O-N 3.15Å; L172-A175 PolarHBondContact O-N 3.11Å; A175-W177 VanDerWaalsContact C-N 3.33Å; A175-L178 PolarHBondContact O-N 2.91Å; A175-R179 PolarHBondContact O-N 2.81Å; A175-R179 VanDerWaalsContact O-N 3.09Å; A175-I188 HydrophobicContact CB-CD1 3.92Å; A175-V191 HydrophobicContact CB-CG2 3.85Å; A175-P252 HydrophobicContact CB-CG 4.47Å
176L98.9Very high98.5Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-64.1-38.9175.7-64.5178000111.3L172 A173 L178 R179 D180 L242 N245 L247 V251L172-L176 HydrophobicContact CD1-CD1 4.36Å; L172-L176 HydrophobicContact CD1-CD2 4.44Å; L172-L176 HydrophobicContact CD1-CG 4.13Å; L172-L176 HydrophobicContact CG-CD1 4.04Å; L172-L176 HydrophobicContact CG-CG 4.26Å; L172-L176 VanDerWaalsContact O-CG 3.28Å; L172-L176 WeakPolarHBondContact O-CG 3.48Å; L172-L176 PolarHBondContact O-N 2.99Å; A173-L176 PolarHBondContact O-N 3.42Å; L176-L178 PolarHBondContact O-N 2.66Å; L176-R179 PolarHBondContact O-N 2.7Å; L176-D180 VanDerWaalsContact O-CB 3.31Å; L176-D180 WeakPolarHBondContact O-CB 3.48Å; L176-D180 PolarHBondContact O-N 2.9Å; L176-L242 HydrophobicContact CD1-CB 4.3Å; L176-L242 HydrophobicContact CD1-CD2 4.36Å; L176-N245 HydrophobicContact CD1-CB 4.33Å; L176-L247 HydrophobicContact CD1-CD2 3.98Å; L176-L247 HydrophobicContact CD2-CD2 4.25Å; L176-V251 HydrophobicContact CD2-CG2 4.5Å
177W98.8Very high98.5Very high22 Ų2233.9 Ų33.98%0.08316%0.163CC..Hα-helixtrans-60.7-43.3175.8-173.7-75.2000112.8P132 I135 E136 V139 A173 S174 A175 K181 Y239P132-W177 HydrophobicContact CB-CH2 4.23Å; P132-W177 HydrophobicContact CB-CZ3 4.09Å; P132-W177 HydrophobicContact CG-CH2 4.22Å; I135-W177 HydrophobicContact CG2-CB 4.24Å; I135-W177 HydrophobicContact CG2-CD2 4.05Å; I135-W177 HydrophobicContact CG2-CE3 3.92Å; I135-W177 HydrophobicContact CG2-CG 4.23Å; E136-W177 HydrophobicContact CG-CH2 3.95Å; E136-W177 HydrophobicContact CG-CZ2 3.65Å; V139-W177 HydrophobicContact CG2-CB 4.38Å; V139-W177 HydrophobicContact CG2-CG 4.16Å; A173-W177 VanDerWaalsContact O-CB 3.22Å; A173-W177 WeakPolarHBondContact O-CB 3.34Å; A173-W177 PolarHBondContact O-N 3.03Å; S174-W177 PolarHBondContact O-N 3.41Å; A175-W177 VanDerWaalsContact C-N 3.33Å; W177-K181 VanDerWaalsContact CE2-CE 3.45Å; W177-K181 VanDerWaalsContact CE2-NZ 3.35Å; W177-K181 WeakPolarHBondContact O-CB 3.35Å; W177-K181 WeakPolarHBondContact O-CG 3.28Å; W177-K181 PolarHBondContact O-N 3.31Å; W177-K181 VanDerWaalsContact O-N 3.13Å; W177-Y239 HydrophobicContact CB-CD1 4.18Å; W177-Y239 HydrophobicContact CB-CE1 4.05Å; W177-Y239 HydrophobicContact CD2-CE1 4.46Å; W177-Y239 AromaticContact CE3-CD1 3.77Å; W177-Y239 HydrophobicContact CE3-CD1 3.77Å; W177-Y239 AromaticContact CE3-CD2 3.65Å; W177-Y239 HydrophobicContact CE3-CD2 3.65Å; W177-Y239 AromaticContact CE3-CE1 3.96Å; W177-Y239 HydrophobicContact CE3-CE1 3.96Å; W177-Y239 AromaticContact CE3-CE2 3.84Å; W177-Y239 HydrophobicContact CE3-CE2 3.84Å; W177-Y239 AromaticContact CE3-CG 3.6Å; W177-Y239 HydrophobicContact CE3-CG 3.6Å; W177-Y239 AromaticContact CE3-CZ 3.98Å; W177-Y239 AromaticContact CZ3-CD2 3.71Å; W177-Y239 HydrophobicContact CZ3-CD2 3.71Å; W177-Y239 HydrophobicContact CZ3-CE2 4.01Å; W177-Y239 HydrophobicContact CZ3-CG 4.03Å
178L98.7Very high98.4Very high5 Ų535.2 Ų35.23%0.02617%0.169CC..Hα-helixtrans-63.1-45.9175.1-73.8173.3000111.6V139 I159 F161 S174 A175 L176 Q182 I183 I188V139-L178 HydrophobicContact CG1-CD2 3.81Å; V139-L178 HydrophobicContact CG2-CD2 4.44Å; V139-L178 HydrophobicContact CG2-CG 4.34Å; I159-L178 HydrophobicContact CD1-CD1 4.45Å; F161-L178 HydrophobicContact CE2-CD1 3.79Å; F161-L178 HydrophobicContact CZ-CD1 3.77Å; S174-L178 WeakPolarHBondContact O-CG 3.35Å; S174-L178 PolarHBondContact O-N 3.4Å; A175-L178 PolarHBondContact O-N 2.91Å; L176-L178 PolarHBondContact O-N 2.66Å; L178-Q182 PolarHBondContact O-N 3.36Å; L178-Q182 VanDerWaalsContact O-N 3.08Å; L178-I183 HydrophobicContact CD2-CB 3.95Å; L178-I183 HydrophobicContact CD2-CG2 3.88Å; L178-I183 PolarHBondContact O-N 3.31Å; L178-I188 HydrophobicContact CB-CD1 4.22Å; L178-I188 HydrophobicContact CD1-CD1 4.05Å
179R98.6Very high98.4Very high28 Ų2835.3 Ų35.311%0.10617%0.17CC..Hα-helixtrans-59-53.4176.5-179.3-158.769.6-179.8-3.9111.6A175 L176 K181 Q182 N245 D246 R249 E250A175-R179 PolarHBondContact O-N 2.81Å; A175-R179 VanDerWaalsContact O-N 3.09Å; L176-R179 PolarHBondContact O-N 2.7Å; R179-K181 PolarHBondContact O-N 3.38Å; R179-Q182 PolarHBondContact O-N 3.09Å; R179-N245 PolarHBondContact NH2-OD1 3.27Å; R179-D246 VanDerWaalsContact CZ-O 3.3Å; R179-D246 PolarHBondContact NH1-O 3.06Å; R179-D246 PolarHBondContact NH2-O 3.03Å; R179-R249 PolarHBondContact NH1-O 2.93Å; R179-E250 WeakPolarHBondContact CD-O 3.48Å; R179-E250 HydrophobicContact CG-CB 4.33Å
180D98.6Very high98.4Very high57 Ų5735.3 Ų35.331%0.30517%0.17SC..Hα-helixtrans-64.5-32.6-173.8-66.4-13.5000111.7L176 Q182 Y239 N245L176-D180 VanDerWaalsContact O-CB 3.31Å; L176-D180 WeakPolarHBondContact O-CB 3.48Å; L176-D180 PolarHBondContact O-N 2.9Å; D180-Q182 VanDerWaalsContact C-N 3.34Å; D180-Y239 HydrophobicContact CB-CE1 4.42Å; D180-Y239 WeakPolarHBondContact CB-OH 3.33Å; D180-Y239 VanDerWaalsContact OD2-CE1 3.3Å; D180-Y239 WeakPolarHBondContact OD2-CE1 3.44Å; D180-Y239 PolarHBondContact OD2-OH 3.5Å; D180-N245 PolarHBondContact OD2-ND2 3.1Å; D180-N245 PolarHBondContact OD2-OD1 3.02Å
181K98.2Very high98.4Very high105 Ų10535.3 Ų35.346%0.45717%0.17SC..THydrogen-bonded Turntrans-86.1-2.1174.2-67.5-168.5175.1-171.50114.2W177 R179 I183W177-K181 VanDerWaalsContact CE2-CE 3.45Å; W177-K181 VanDerWaalsContact CE2-NZ 3.35Å; W177-K181 WeakPolarHBondContact O-CB 3.35Å; W177-K181 WeakPolarHBondContact O-CG 3.28Å; W177-K181 PolarHBondContact O-N 3.31Å; W177-K181 VanDerWaalsContact O-N 3.13Å; R179-K181 PolarHBondContact O-N 3.38Å; K181-I183 HydrophobicContact CB-CD1 3.61Å; K181-I183 HydrophobicContact CB-CG1 3.68Å; K181-I183 HydrophobicContact CD-CD1 3.88Å; K181-I183 HydrophobicContact CG-CD1 4.4Å; K181-I183 PolarHBondContact O-N 3.06Å
182Q97.7Very high98.4Very high149 Ų14935.3 Ų35.370%0.69617%0.17SC*.THydrogen-bonded Turntrans52.240.4-177.1-59.2-71.22.300112.2L178 R179 D180L178-Q182 PolarHBondContact O-N 3.36Å; L178-Q182 VanDerWaalsContact O-N 3.08Å; R179-Q182 PolarHBondContact O-N 3.09Å; D180-Q182 VanDerWaalsContact C-N 3.34Å
183I97.8Very high98.4Very high63 Ų6335.3 Ų35.332%0.32317%0.17SC..  trans-91.1116.9179.5-64171.3000108.3L178 K181 C185L178-I183 HydrophobicContact CD2-CB 3.95Å; L178-I183 HydrophobicContact CD2-CG2 3.88Å; L178-I183 PolarHBondContact O-N 3.31Å; K181-I183 HydrophobicContact CB-CD1 3.61Å; K181-I183 HydrophobicContact CB-CG1 3.68Å; K181-I183 HydrophobicContact CD-CD1 3.88Å; K181-I183 HydrophobicContact CG-CD1 4.4Å; K181-I183 PolarHBondContact O-N 3.06Å; I183-C185 HydrophobicContact CG2-CB 4.46Å; I183-C185 WeakPolarHBondContact CG2-SG 3.44Å; I183-C185 PolarHBondContact O-N 2.96Å
184D96.9Very high98.4Very high126 Ų12635.3 Ų35.367%0.67417%0.17SC*.  trans-83.9104.3168.8-172.96.1000110G186D184-G186 PolarHBondContact OD1-N 3.18Å
185C96.7Very high98.4Very high8 Ų835.4 Ų35.45%0.05417%0.17CC..SBendtrans-122.730.4169.2-67.50000110.5C143 H146 I183C143-C185 WeakPolarHBondContact CA-SG 3.34Å; C143-C185 HydrophobicContact CB-CB 4.1Å; C143-C185 WeakPolarHBondContact CB-SG 3.41Å; C143-C185 WeakPolarHBondContact SG-CB 3.33Å; C143-C185 CovalentContact SG-SG 2.05Å; C143-C185 PolarHBondContact SG-SG 3.44Å; H146-C185 HydrophobicContact CB-CB 4.08Å; H146-C185 PolarHBondContact ND1-O 2.9Å; I183-C185 HydrophobicContact CG2-CB 4.46Å; I183-C185 WeakPolarHBondContact CG2-SG 3.44Å; I183-C185 PolarHBondContact O-N 2.96Å
186G97.8Very high98.4Very high7 Ų735.4 Ų35.47%0.07217%0.17CC..SBendtrans109.6142.8-173.300000112.3H146 M156 D184 I188H146-G186 PolarHBondContact ND1-N 3.05Å; M156-G186 WeakPolarHBondContact O-CA 3.42Å; D184-G186 PolarHBondContact OD1-N 3.18Å; G186-I188 PolarHBondContact O-N 2.89Å; G186-I188 VanDerWaalsContact O-N 3.16Å
187K98.4Very high98.4Very high141 Ų14136.2 Ų36.261%0.61318%0.175SC*.EExtended strand (participates in β ladder)trans-65.5117.4177.9-176.3-170.7175.3-147.90109.4S157 R158 I159 A189S157-K187 PolarHBondContact O-N 2.87Å; R158-K187 WeakPolarHBondContact CA-O 3.39Å; I159-K187 PolarHBondContact N-O 3.03Å; K187-A189 PolarHBondContact O-N 3.19Å
188I98.8Very high98.4Very high27 Ų2735.2 Ų35.214%0.13817%0.171CC..EExtended strand (participates in β ladder)trans-69.3100.3175.1-50.2175000108.5I159 F161 A175 L178 G186 V191 P252I159-I188 HydrophobicContact CD1-CG1 4.01Å; I159-I188 HydrophobicContact CG1-CB 4.47Å; I159-I188 HydrophobicContact CG1-CG1 4.01Å; I159-I188 CarbonylContact O-C 3.56Å; I159-I188 WeakPolarHBondContact O-CA 3.24Å; F161-I188 HydrophobicContact CD2-CG2 4.37Å; F161-I188 HydrophobicContact CE2-CD1 4.19Å; F161-I188 HydrophobicContact CE2-CG1 4.43Å; A175-I188 HydrophobicContact CB-CD1 3.92Å; L178-I188 HydrophobicContact CB-CD1 4.22Å; L178-I188 HydrophobicContact CD1-CD1 4.05Å; G186-I188 PolarHBondContact O-N 2.89Å; G186-I188 VanDerWaalsContact O-N 3.16Å; I188-V191 HydrophobicContact CG2-CG2 4.12Å; I188-P252 HydrophobicContact CB-CB 4.03Å; I188-P252 HydrophobicContact CB-CG 3.83Å; I188-P252 HydrophobicContact CD1-CG 4.18Å; I188-P252 HydrophobicContact CG2-CB 3.62Å; I188-P252 HydrophobicContact CG2-CG 3.69Å
189A98.7Very high98.4Very high3 Ų335.5 Ų35.53%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-78.8-30-177.700000111.9R158 I159 K187 P253 F315 Q318 L319R158-A189 HydrophobicContact CB-CB 4.43Å; I159-A189 PolarHBondContact O-N 3.12Å; K187-A189 PolarHBondContact O-N 3.19Å; A189-P253 WeakPolarHBondContact O-CD 3.46Å; A189-P253 WeakPolarHBondContact O-CG 3.44Å; A189-F315 HydrophobicContact CB-CE2 4.13Å; A189-Q318 HydrophobicContact CB-CB 4.16Å; A189-Q318 WeakPolarHBondContact O-CB 3.47Å; A189-Q318 VanDerWaalsContact O-CG 3.24Å; A189-Q318 WeakPolarHBondContact O-CG 3.35Å; A189-L319 HydrophobicContact CB-CD2 3.75Å
190G98.7Very high98.4Very high0 Ų036.1 Ų36.10%018%0.181CC..EExtended strand (participates in β ladder)trans-170158.9173.800000114.1G160 F161 P253G160-G190 WeakPolarHBondContact CA-O 3.48Å; F161-G190 PolarHBondContact N-O 2.67Å; G190-P253 CarbonylContact C-O 3.56Å; G190-P253 WeakPolarHBondContact CA-O 3.19Å
191V98.9Very high98.4Very high0 Ų039.9 Ų39.90%019%0.191CC..EExtended strand (participates in β ladder)trans-122.3121.6175.2-170.60000109F161 A171 A175 I188 L193 P252 P253 C254 F255F161-V191 HydrophobicContact CB-CG1 4.34Å; F161-V191 CarbonylContact O-C 3.52Å; F161-V191 WeakPolarHBondContact O-CA 3.3Å; A171-V191 HydrophobicContact CB-CG1 4.05Å; A175-V191 HydrophobicContact CB-CG2 3.85Å; I188-V191 HydrophobicContact CG2-CG2 4.12Å; V191-L193 HydrophobicContact CG1-CD1 4.25Å; V191-L193 HydrophobicContact CG1-CD2 3.53Å; V191-L193 HydrophobicContact CG1-CG 3.84Å; V191-P252 HydrophobicContact CG2-CB 4.12Å; V191-P253 PolarHBondContact N-O 3.46Å; V191-C254 WeakPolarHBondContact O-CA 3.49Å; V191-F255 PolarHBondContact O-N 3.23Å
192L99Very high98.4Very high0 Ų038 Ų380%019%0.186CC..EExtended strand (participates in β ladder)trans-104.2115.7-176.5-50.1-177.5000110.4L87 F161 A162 G163 W194 F255 G311 F314 F315L87-L192 HydrophobicContact CD1-CD1 4.43Å; L87-L192 HydrophobicContact CD2-CD1 3.95Å; F161-L192 PolarHBondContact O-N 3.24Å; A162-L192 WeakPolarHBondContact CA-O 3.38Å; A162-L192 HydrophobicContact CB-CB 3.97Å; A162-L192 HydrophobicContact CB-CD1 4.25Å; A162-L192 HydrophobicContact CB-CG 4.38Å; G163-L192 PolarHBondContact N-O 3.28Å; L192-W194 HydrophobicContact CB-CE3 4.49Å; L192-W194 HydrophobicContact CB-CH2 3.48Å; L192-W194 VanDerWaalsContact CB-CH2 3.48Å; L192-W194 HydrophobicContact CB-CZ2 4.09Å; L192-W194 HydrophobicContact CB-CZ3 3.73Å; L192-W194 HydrophobicContact CD1-CH2 3.72Å; L192-W194 HydrophobicContact CD1-CZ2 4.29Å; L192-W194 HydrophobicContact CG-CH2 4.26Å; L192-F255 HydrophobicContact CD2-CB 3.69Å; L192-F255 HydrophobicContact CD2-CD1 4.46Å; L192-F255 HydrophobicContact CD2-CG 4.36Å; L192-G311 WeakPolarHBondContact CD1-O 3.25Å; L192-G311 VanDerWaalsContact CD2-O 3.26Å; L192-G311 WeakPolarHBondContact CD2-O 3.11Å; L192-F314 HydrophobicContact CD2-CD1 3.89Å; L192-F315 HydrophobicContact CD1-CB 4.2Å; L192-F315 HydrophobicContact CD2-CB 4.18Å
193L99Very high98.4Very high0 Ų031.8 Ų31.80%016%0.159CC..EExtended strand (participates in β ladder)trans-125.493.9-164-58.5174.4000111A168 A171 L172 V191 Y198 C254 F255 I256 A257 L271A168-L193 HydrophobicContact CB-CB 4.33Å; A168-L193 HydrophobicContact CB-CD2 3.95Å; A168-L193 WeakPolarHBondContact O-CD2 3.5Å; A171-L193 HydrophobicContact CB-CD2 4.02Å; L172-L193 HydrophobicContact CB-CD1 4.39Å; L172-L193 HydrophobicContact CB-CD2 4.11Å; L172-L193 HydrophobicContact CD2-CD1 4.2Å; V191-L193 HydrophobicContact CG1-CD1 4.25Å; V191-L193 HydrophobicContact CG1-CD2 3.53Å; V191-L193 HydrophobicContact CG1-CG 3.84Å; L193-Y198 WeakPolarHBondContact CB-OH 3.48Å; L193-Y198 HydrophobicContact CD1-CE1 4.39Å; L193-Y198 HydrophobicContact CD2-CE1 4.44Å; L193-C254 HydrophobicContact CD1-CB 4.36Å; L193-F255 WeakPolarHBondContact CA-O 3.48Å; L193-F255 WeakPolarHBondContact CB-O 3.45Å; L193-F255 PolarHBondContact N-O 3.44Å; L193-I256 HydrophobicContact CD1-CG1 4.31Å; L193-A257 PolarHBondContact O-N 2.8Å; L193-L271 HydrophobicContact CD1-CD2 3.65Å
194W98.9Very high98.5Very high0 Ų033.4 Ų33.40%017%0.171CC..EExtended strand (participates in β ladder)trans-90.8118.3175.8-59.9-87.6000111.2Y89 L110 A162 G163 D164 S165 L192 G196 F255 A257 L295 A307Y89-W194 AromaticContact CE2-CZ3 3.92Å; Y89-W194 HydrophobicContact CE2-CZ3 3.92Å; L110-W194 HydrophobicContact CD1-CH2 3.69Å; L110-W194 HydrophobicContact CD1-CZ3 4.08Å; L110-W194 HydrophobicContact CD2-CH2 3.66Å; L110-W194 HydrophobicContact CD2-CZ2 3.93Å; L110-W194 HydrophobicContact CG-CH2 4.3Å; A162-W194 HydrophobicContact CB-CH2 4.32Å; A162-W194 HydrophobicContact CB-CZ3 3.95Å; G163-W194 VanDerWaalsContact O-CE3 3.32Å; G163-W194 PolarHBondContact O-N 3.06Å; G163-W194 VanDerWaalsContact O-N 3.09Å; D164-W194 CarbonylContact C-O 3.6Å; D164-W194 WeakPolarHBondContact CA-O 3.34Å; D164-W194 HydrophobicContact CB-CB 4.25Å; S165-W194 PolarHBondContact N-O 3.03Å; L192-W194 HydrophobicContact CB-CE3 4.49Å; L192-W194 HydrophobicContact CB-CH2 3.48Å; L192-W194 VanDerWaalsContact CB-CH2 3.48Å; L192-W194 HydrophobicContact CB-CZ2 4.09Å; L192-W194 HydrophobicContact CB-CZ3 3.73Å; L192-W194 HydrophobicContact CD1-CH2 3.72Å; L192-W194 HydrophobicContact CD1-CZ2 4.29Å; L192-W194 HydrophobicContact CG-CH2 4.26Å; W194-G196 PolarHBondContact O-N 3.27Å; W194-F255 AromaticContact NE1-CE1 3.79Å; W194-A257 HydrophobicContact CB-CB 4.45Å; W194-A257 HydrophobicContact CG-CB 4.18Å; W194-L295 HydrophobicContact CB-CD2 4.12Å; W194-L295 HydrophobicContact CD2-CD1 4.45Å; W194-L295 HydrophobicContact CD2-CD2 3.65Å; W194-L295 HydrophobicContact CE3-CD2 3.92Å; W194-L295 HydrophobicContact CG-CD1 4.1Å; W194-L295 HydrophobicContact CG-CD2 3.72Å; W194-A307 PolarHBondContact NE1-O 3.2Å
195Y98.9Very high98.6Very high2 Ų227.8 Ų27.81%0.00814%0.141CC..SBendtrans44.843.217245.1-105.2000114.1D164 A257 D262 H292 F294 L295D164-Y195 HydrophobicContact CB-CE2 3.58Å; Y195-A257 WeakPolarHBondContact CA-O 3.27Å; Y195-A257 PolarHBondContact N-O 3.47Å; Y195-D262 WeakPolarHBondContact CB-OD2 3.34Å; Y195-H292 AromaticContact CD2-CE1 3.39Å; Y195-H292 WeakPolarHBondContact CD2-CE1 3.29Å; Y195-H292 AromaticContact CD2-ND1 3.73Å; Y195-H292 AromaticContact CD2-NE2 3.9Å; Y195-H292 PolarHBondContact O-CE1 3.45Å; Y195-F294 AromaticContact CD1-CD1 3.78Å; Y195-F294 HydrophobicContact CD1-CD1 3.78Å; Y195-F294 AromaticContact CD1-CE1 3.58Å; Y195-F294 HydrophobicContact CD1-CE1 3.58Å; Y195-F294 AromaticContact CE1-CD1 3.74Å; Y195-F294 HydrophobicContact CE1-CD1 3.74Å; Y195-F294 AromaticContact CE1-CE1 3.78Å; Y195-F294 HydrophobicContact CE1-CE1 3.78Å; Y195-L295 HydrophobicContact CE1-CB 3.88Å; Y195-L295 WeakPolarHBondContact OH-CB 3.47Å
196G98.8Very high98.7Very high0 Ų028.2 Ų28.20%014%0.142CC..  trans-73.7164.4-178.300000114.5W194 Y198W194-G196 PolarHBondContact O-N 3.27Å; G196-Y198 WeakPolarHBondContact CA-OH 3.39Å
197L98.9Very high98.7Very high18 Ų1831.9 Ų31.99%0.09415%0.154CC..  trans-114.2137.2165.667.4-179000109.1F95 S165 M169 L264F95-L197 HydrophobicContact CZ-CD2 4.27Å; S165-L197 WeakPolarHBondContact O-CD2 3.39Å; M169-L197 HydrophobicContact CB-CD2 4.3Å; M169-L197 VanDerWaalsContact CB-O 3.24Å; M169-L197 WeakPolarHBondContact CB-O 3.3Å; L197-L264 HydrophobicContact CB-CD1 4.08Å; L197-L264 HydrophobicContact CB-CD2 4.02Å
198Y98.9Very high98.7Very high0 Ų028.1 Ų28.10%014%0.14CC..  trans-130.115-172.2-45.4-67.4000113A168 L172 L193 G196 C241 L242 F243 D267 L271A168-Y198 HydrophobicContact CB-CE1 4.4Å; L172-Y198 HydrophobicContact CD2-CD1 4.28Å; L172-Y198 HydrophobicContact CD2-CE1 4.46Å; L193-Y198 WeakPolarHBondContact CB-OH 3.48Å; L193-Y198 HydrophobicContact CD1-CE1 4.39Å; L193-Y198 HydrophobicContact CD2-CE1 4.44Å; G196-Y198 WeakPolarHBondContact CA-OH 3.39Å; Y198-C241 CarbonylContact O-C 3.53Å; Y198-C241 WeakPolarHBondContact O-CA 3.3Å; Y198-L242 HydrophobicContact CD1-CD1 3.98Å; Y198-L242 PolarHBondContact O-N 3.01Å; Y198-F243 HydrophobicContact CD2-CZ 4.16Å; Y198-F243 HydrophobicContact CG-CZ 4.43Å; Y198-F243 WeakPolarHBondContact O-CD2 3.28Å; Y198-D267 HydrophobicContact CD2-CB 3.83Å; Y198-D267 HydrophobicContact CE2-CB 4.3Å; Y198-D267 PolarHBondContact N-OD1 2.69Å; Y198-L271 HydrophobicContact CD1-CD2 4.45Å; Y198-L271 HydrophobicContact CD2-CB 3.98Å; Y198-L271 HydrophobicContact CD2-CD2 3.98Å; Y198-L271 HydrophobicContact CE1-CD2 4.13Å; Y198-L271 HydrophobicContact CE2-CB 4.11Å; Y198-L271 HydrophobicContact CE2-CD2 3.66Å; Y198-L271 HydrophobicContact CG-CD2 4.38Å
199G98.6Very high98.6Very high12 Ų1227.3 Ų27.312%0.12414%0.136CC..SBendtrans119.12.1170.400000116.1R201 D267G199-R201 PolarHBondContact O-N 3.07Å; G199-D267 PolarHBondContact N-OD1 3.37Å
200L98.5Very high98.6Very high41 Ų4127.2 Ų27.222%0.21514%0.135CC..  trans-61.9127.5174.3-77.9-179.9000110.3R206 F243 D266 D267 L270L200-R206 PolarHBondContact O-NE 3.27Å; L200-R206 PolarHBondContact O-NH1 3.16Å; L200-R206 PolarHBondContact O-NH2 2.8Å; L200-R206 VanDerWaalsContact O-NH2 3.14Å; L200-F243 HydrophobicContact CD2-CE2 4.38Å; L200-F243 HydrophobicContact CG-CD2 4.36Å; L200-F243 HydrophobicContact CG-CE2 3.79Å; L200-D266 HydrophobicContact CD1-CB 4.39Å; L200-D267 PolarHBondContact N-OD1 3.46Å; L200-L270 HydrophobicContact CD1-CB 4.42Å; L200-L270 HydrophobicContact CD1-CD2 4.03Å; L200-L270 HydrophobicContact CD2-CD2 3.6Å; L200-L270 HydrophobicContact CG-CD2 3.96Å
201R98.3Very high98.5Very high135 Ų13527.6 Ų27.651%0.50914%0.139SC..SBendtrans-81.4-28.9177.1-53.8-169.160.762.6-0.1112G199 E225G199-R201 PolarHBondContact O-N 3.07Å; R201-E225 IonicContact CZ-OE1 2.76Å; R201-E225 IonicContact NH1-OE1 3.6Å; R201-E225 PolarHBondContact NH1-OE1 3.37Å; R201-E225 VanDerWaalsContact NH1-OE1 3.16Å; R201-E225 IonicContact NH1-OE2 2.59Å; R201-E225 PolarHBondContact NH1-OE2 2.82Å; R201-E225 IonicContact NH2-OE1 3.42Å
202D98.4Very high98.3Very high66 Ų6634.4 Ų34.435%0.35318%0.18SC..  trans-153.9155.4177.7-156.417.8000109.8R207 Q218D202-R207 VanDerWaalsContact CG-NE 3.27Å; D202-R207 WeakPolarHBondContact OD1-CD 3.38Å; D202-R207 WeakPolarHBondContact OD1-CG 3.37Å; D202-R207 IonicContact OD1-CZ 3.86Å; D202-R207 IonicContact OD1-NE 3.46Å; D202-R207 PolarHBondContact OD1-NE 2.63Å; D202-R207 IonicContact OD1-NH2 3.58Å; D202-R207 IonicContact OD2-CZ 3.16Å; D202-R207 IonicContact OD2-NE 3.08Å; D202-R207 PolarHBondContact OD2-NE 3.22Å; D202-R207 IonicContact OD2-NH2 2.89Å; D202-R207 PolarHBondContact OD2-NH2 3.17Å; D202-Q218 PolarHBondContact OD1-NE2 3.46Å
203S98.6Very high98.2Very high19 Ų1938.1 Ų38.113%0.13319%0.194CC..  trans-162.1171.8177.775.40000111.1T205 R206 R207S203-T205 VanDerWaalsContact C-N 3.33Å; S203-T205 PolarHBondContact OG-N 2.92Å; S203-T205 PolarHBondContact OG-OG1 2.83Å; S203-T205 VanDerWaalsContact OG-OG1 3.06Å; S203-R206 PolarHBondContact O-N 3.38Å; S203-R206 WeakPolarHBondContact OG-CB 3.48Å; S203-R206 VanDerWaalsContact OG-CG 3.25Å; S203-R206 WeakPolarHBondContact OG-CG 3.26Å; S203-R206 PolarHBondContact OG-N 2.76Å; S203-R207 WeakPolarHBondContact O-CB 3.39Å; S203-R207 VanDerWaalsContact O-CG 3.24Å; S203-R207 WeakPolarHBondContact O-CG 3.4Å; S203-R207 PolarHBondContact O-N 3.23Å; S203-R207 VanDerWaalsContact O-N 3.08Å
204V98.5Very high98.1Very high96 Ų9639.7 Ų39.758%0.58220%0.203SC*.Hα-helixtrans-62.6-44.9175.9175.20000109.8R207 L208 D266V204-R207 PolarHBondContact O-N 2.76Å; V204-L208 HydrophobicContact CG1-CD1 3.7Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CB 3.28Å; V204-L208 WeakPolarHBondContact O-CG 3.33Å; V204-L208 PolarHBondContact O-N 2.82Å; V204-D266 WeakPolarHBondContact CB-OD2 3.49Å; V204-D266 PolarHBondContact N-OD2 3.3Å; V204-D266 VanDerWaalsContact N-OD2 3.07Å
205T98.6Very high97.9Very high8 Ų840.9 Ų40.95%0.04921%0.214CC..Hα-helixtrans-66.4-41.7178.556.70000112.5S203 R207 L208 L209 P263 L265 D266S203-T205 VanDerWaalsContact C-N 3.33Å; S203-T205 PolarHBondContact OG-N 2.92Å; S203-T205 PolarHBondContact OG-OG1 2.83Å; S203-T205 VanDerWaalsContact OG-OG1 3.06Å; T205-R207 PolarHBondContact O-N 3.4Å; T205-L208 PolarHBondContact O-N 3.08Å; T205-L209 HydrophobicContact CG2-CD1 4.38Å; T205-L209 WeakPolarHBondContact O-CB 3.38Å; T205-L209 PolarHBondContact O-N 3.03Å; T205-P263 CarbonylContact C-O 3.47Å; T205-P263 WeakPolarHBondContact CB-O 3.16Å; T205-P263 PolarHBondContact OG1-O 2.8Å; T205-L265 HydrophobicContact CG2-CB 3.95Å; T205-L265 HydrophobicContact CG2-CD2 4.3Å; T205-L265 HydrophobicContact CG2-CG 4.33Å; T205-D266 HydrophobicContact CG2-CB 4.24Å; T205-D266 VanDerWaalsContact CG2-OD1 3.26Å; T205-D266 WeakPolarHBondContact CG2-OD1 3.48Å; T205-D266 WeakPolarHBondContact CG2-OD2 3.44Å; T205-D266 PolarHBondContact N-OD2 3.36Å; T205-D266 VanDerWaalsContact OG1-CB 3.28Å; T205-D266 WeakPolarHBondContact OG1-CB 3.37Å; T205-D266 VanDerWaalsContact OG1-CG 3.27Å; T205-D266 PolarHBondContact OG1-N 2.89Å; T205-D266 VanDerWaalsContact OG1-N 3.12Å; T205-D266 PolarHBondContact OG1-OD2 3.08Å
206R98.6Very high97.9Very high18 Ų1841.3 Ų41.37%0.06822%0.217CC..Hα-helixtrans-60.5-32.5175.3-72.2170.7-178.8-103.20.9111.9K6 L200 S203 P263 D267K6-R206 PolarHBondContact NZ-O 2.89Å; L200-R206 PolarHBondContact O-NE 3.27Å; L200-R206 PolarHBondContact O-NH1 3.16Å; L200-R206 PolarHBondContact O-NH2 2.8Å; L200-R206 VanDerWaalsContact O-NH2 3.14Å; S203-R206 PolarHBondContact O-N 3.38Å; S203-R206 WeakPolarHBondContact OG-CB 3.48Å; S203-R206 VanDerWaalsContact OG-CG 3.25Å; S203-R206 WeakPolarHBondContact OG-CG 3.26Å; S203-R206 PolarHBondContact OG-N 2.76Å; R206-P263 VanDerWaalsContact CG-O 3.24Å; R206-P263 WeakPolarHBondContact CG-O 3.4Å; R206-P263 PolarHBondContact N-O 2.69Å; R206-P263 VanDerWaalsContact N-O 3.16Å; R206-D267 IonicContact CZ-OD2 3.74Å; R206-D267 IonicContact NE-OD2 2.72Å; R206-D267 PolarHBondContact NE-OD2 3.03Å; R206-D267 VanDerWaalsContact NE-OD2 3.13Å; R206-D267 IonicContact NH2-OD1 3.5Å; R206-D267 PolarHBondContact NH2-OD1 2.87Å; R206-D267 IonicContact NH2-OD2 2.63Å; R206-D267 PolarHBondContact NH2-OD2 3.35Å
207R98Very high97.8Very high84 Ų8443.3 Ų43.332%0.31723%0.229SC..Hα-helixtrans-78-44.5176-69.9-62.9-171.2-174.24.1112.4M1 K6 D202 S203 V204 T205M1-R207 HydrophobicContact CE-CB 3.69Å; M1-R207 HydrophobicContact CE-CG 4.39Å; M1-R207 HydrophobicContact SD-CB 4.06Å; K6-R207 VanDerWaalsContact CD-O 3.28Å; K6-R207 WeakPolarHBondContact CD-O 3.34Å; K6-R207 WeakPolarHBondContact CE-O 3.13Å; K6-R207 PolarHBondContact NZ-O 2.91Å; D202-R207 VanDerWaalsContact CG-NE 3.27Å; D202-R207 WeakPolarHBondContact OD1-CD 3.38Å; D202-R207 WeakPolarHBondContact OD1-CG 3.37Å; D202-R207 IonicContact OD1-CZ 3.86Å; D202-R207 IonicContact OD1-NE 3.46Å; D202-R207 PolarHBondContact OD1-NE 2.63Å; D202-R207 IonicContact OD1-NH2 3.58Å; D202-R207 IonicContact OD2-CZ 3.16Å; D202-R207 IonicContact OD2-NE 3.08Å; D202-R207 PolarHBondContact OD2-NE 3.22Å; D202-R207 IonicContact OD2-NH2 2.89Å; D202-R207 PolarHBondContact OD2-NH2 3.17Å; S203-R207 WeakPolarHBondContact O-CB 3.39Å; S203-R207 VanDerWaalsContact O-CG 3.24Å; S203-R207 WeakPolarHBondContact O-CG 3.4Å; S203-R207 PolarHBondContact O-N 3.23Å; S203-R207 VanDerWaalsContact O-N 3.08Å; V204-R207 PolarHBondContact O-N 2.76Å; T205-R207 PolarHBondContact O-N 3.4Å
208L98.3Very high97.7Very high62 Ų6245.1 Ų45.133%0.32524%0.237SC..Hα-helixtrans-83-23.6-175.2-71.8176.1000115.4K6 L7 V204 T205K6-L208 WeakPolarHBondContact CA-O 3.34Å; L7-L208 PolarHBondContact N-O 2.79Å; V204-L208 HydrophobicContact CG1-CD1 3.7Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CB 3.28Å; V204-L208 WeakPolarHBondContact O-CG 3.33Å; V204-L208 PolarHBondContact O-N 2.82Å; T205-L208 PolarHBondContact O-N 3.08Å
209L98.4Very high97.6Very high10 Ų1052.2 Ų52.25%0.05227%0.27CS..  trans-124.6179.1-172.7-55.6168.5000111.2K6 L7 V9 T205 F261 D262 P263K6-L209 WeakPolarHBondContact CD-O 3.06Å; K6-L209 WeakPolarHBondContact CE-O 3.34Å; K6-L209 PolarHBondContact NZ-O 3.3Å; L7-L209 HydrophobicContact CD1-CD2 4.49Å; V9-L209 HydrophobicContact CG2-CD2 3.55Å; T205-L209 HydrophobicContact CG2-CD1 4.38Å; T205-L209 WeakPolarHBondContact O-CB 3.38Å; T205-L209 PolarHBondContact O-N 3.03Å; L209-F261 HydrophobicContact CD2-CD1 4.24Å; L209-D262 WeakPolarHBondContact CD1-O 3.29Å; L209-P263 HydrophobicContact CB-CB 4.26Å
210G98Very high97.5Very high1 Ų153.8 Ų53.81%0.0128%0.276CS..  trans87.2128.5-177.400000113.3L216G210-L216 WeakPolarHBondContact CA-O 3.36Å
211G97.1Very high97.5Very high7 Ų752.7 Ų52.77%0.07227%0.27CS..  trans-170.3-167.1-173.200000113.2W213 D214 G215G211-W213 PolarHBondContact O-N 2.86Å; G211-D214 PolarHBondContact N-OD1 2.87Å; G211-D214 PolarHBondContact O-N 3.06Å; G211-G215 PolarHBondContact O-N 3.26Å
212V94.7Very high97.4Very high144 Ų14451 Ų5187%0.87327%0.268SS*.THydrogen-bonded Turntrans-66.7-20.2178.5-63.10000113.3D214V212-D214 VanDerWaalsContact C-N 3.35Å
213W95.9Very high97.4Very high78 Ų7851.2 Ų51.230%0.29527%0.268SS..THydrogen-bonded Turntrans-76-20.8-178.658.677.7000113.5V9 L10 G211V9-W213 HydrophobicContact CB-CZ2 3.94Å; V9-W213 HydrophobicContact CG2-CH2 4.4Å; V9-W213 HydrophobicContact CG2-CZ2 3.68Å; L10-W213 HydrophobicContact CD2-CB 4.04Å; L10-W213 HydrophobicContact CD2-CG 4.28Å; G211-W213 PolarHBondContact O-N 2.86Å
214D96.8Very high97.4Very high33 Ų3351.9 Ų51.918%0.17627%0.267CS..THydrogen-bonded Turntrans-123.3-15.1179.253.625.3000113.4G211 V212 L216G211-D214 PolarHBondContact N-OD1 2.87Å; G211-D214 PolarHBondContact O-N 3.06Å; V212-D214 VanDerWaalsContact C-N 3.35Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact OD1-N 3.36Å
215G96Very high97.4Very high24 Ų2448.4 Ų48.425%0.24725%0.245CC..THydrogen-bonded Turntrans69.528.9-177.700000112.8G211 D220 Y224G211-G215 PolarHBondContact O-N 3.26Å; G215-D220 VanDerWaalsContact C-OD2 3.3Å; G215-D220 VanDerWaalsContact O-CB 3.23Å; G215-D220 WeakPolarHBondContact O-CB 3.49Å; G215-Y224 PolarHBondContact O-OH 2.91Å
216L98.1Very high97.4Very high12 Ų1252.7 Ų52.76%0.06327%0.265CS..  trans-125.140.6-177-64.6178.4000112.2G210 D214 L221 Y224 P263 L264 H292G210-L216 WeakPolarHBondContact CA-O 3.36Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact OD1-N 3.36Å; L216-L221 HydrophobicContact CD2-CD2 3.89Å; L216-Y224 HydrophobicContact CD2-CE2 4.34Å; L216-P263 HydrophobicContact CB-CG 3.51Å; L216-P263 HydrophobicContact CD1-CG 3.9Å; L216-P263 HydrophobicContact CG-CG 4.39Å; L216-L264 HydrophobicContact CD1-CD1 4.35Å; L216-L264 HydrophobicContact CD1-CG 4.48Å; L216-H292 HydrophobicContact CD1-CB 3.56Å; L216-H292 VanDerWaalsContact CD1-CD2 3.49Å; L216-H292 WeakPolarHBondContact CD1-CD2 3.45Å
217T97.3Very high97.4Very high41 Ų4152.6 Ų52.625%0.25227%0.267SS..  trans-62.1160.6163.870.60000109.8Q219 D220 L221T217-Q219 PolarHBondContact O-N 3.46Å; T217-Q219 VanDerWaalsContact O-N 3.15Å; T217-Q219 WeakPolarHBondContact OG1-CB 3.44Å; T217-Q219 PolarHBondContact OG1-N 2.83Å; T217-D220 VanDerWaalsContact CB-OD2 3.28Å; T217-D220 WeakPolarHBondContact CB-OD2 3.42Å; T217-D220 WeakPolarHBondContact CG2-OD2 3.33Å; T217-D220 PolarHBondContact N-OD2 2.85Å; T217-D220 PolarHBondContact O-N 3.25Å; T217-D220 VanDerWaalsContact O-N 3.08Å; T217-D220 PolarHBondContact OG1-N 2.87Å; T217-D220 PolarHBondContact OG1-OD2 2.94Å; T217-L221 WeakPolarHBondContact O-CG 3.32Å; T217-L221 PolarHBondContact O-N 2.96Å
218Q95.5Very high97.4Very high57 Ų5748.8 Ų48.827%0.26625%0.253SS..Hα-helixtrans-59.8-25.9173.7-62.6-172.1-91.200111.9D202 Q222D202-Q218 PolarHBondContact OD1-NE2 3.46Å; Q218-Q222 WeakPolarHBondContact O-CB 3.47Å; Q218-Q222 PolarHBondContact O-N 3.07Å; Q218-Q222 VanDerWaalsContact O-N 3.09Å
219Q96.5Very high97.4Very high149 Ų14946.2 Ų46.270%0.69624%0.239SC*.Hα-helixtrans-68.4-45.5174.1-169.49138.900111.2T217 Q222 M223T217-Q219 PolarHBondContact O-N 3.46Å; T217-Q219 VanDerWaalsContact O-N 3.15Å; T217-Q219 WeakPolarHBondContact OG1-CB 3.44Å; T217-Q219 PolarHBondContact OG1-N 2.83Å; Q219-Q222 PolarHBondContact O-N 3.28Å; Q219-M223 PolarHBondContact O-N 3.35Å
220D97.1Very high97.4Very high44 Ų4449.4 Ų49.424%0.23526%0.263CS..Hα-helixtrans-63.1-46178.1-55.6-47.4000110.5G215 T217 Q222 M223 Y224G215-D220 VanDerWaalsContact C-OD2 3.3Å; G215-D220 VanDerWaalsContact O-CB 3.23Å; G215-D220 WeakPolarHBondContact O-CB 3.49Å; T217-D220 VanDerWaalsContact CB-OD2 3.28Å; T217-D220 WeakPolarHBondContact CB-OD2 3.42Å; T217-D220 WeakPolarHBondContact CG2-OD2 3.33Å; T217-D220 PolarHBondContact N-OD2 2.85Å; T217-D220 PolarHBondContact O-N 3.25Å; T217-D220 VanDerWaalsContact O-N 3.08Å; T217-D220 PolarHBondContact OG1-N 2.87Å; T217-D220 PolarHBondContact OG1-OD2 2.94Å; D220-Q222 VanDerWaalsContact C-N 3.32Å; D220-Q222 PolarHBondContact O-N 3.26Å; D220-M223 WeakPolarHBondContact O-CB 3.34Å; D220-M223 PolarHBondContact O-N 2.83Å; D220-M223 VanDerWaalsContact O-N 3.1Å; D220-Y224 HydrophobicContact CB-CE2 3.92Å; D220-Y224 WeakPolarHBondContact O-CD2 3.34Å; D220-Y224 PolarHBondContact O-N 3.44Å
221L98.2Very high97.4Very high19 Ų1953 Ų5310%0.09928%0.282CS..Hα-helixtrans-59.7-41177.5-69.4168.7000112.4L216 T217 E225 L264L216-L221 HydrophobicContact CD2-CD2 3.89Å; T217-L221 WeakPolarHBondContact O-CG 3.32Å; T217-L221 PolarHBondContact O-N 2.96Å; L221-E225 WeakPolarHBondContact O-CB 3.35Å; L221-E225 PolarHBondContact O-N 3.01Å; L221-L264 HydrophobicContact CD1-CD2 4.26Å; L221-L264 HydrophobicContact CD2-CD2 3.99Å
222Q97.8Very high97.5Very high99 Ų9958.4 Ų58.446%0.46331%0.309SS..Hα-helixtrans-64.8-40.9174.7-178.2178.1-34.500111.4Q218 Q219 D220 E225 E226Q218-Q222 WeakPolarHBondContact O-CB 3.47Å; Q218-Q222 PolarHBondContact O-N 3.07Å; Q218-Q222 VanDerWaalsContact O-N 3.09Å; Q219-Q222 PolarHBondContact O-N 3.28Å; D220-Q222 VanDerWaalsContact C-N 3.32Å; D220-Q222 PolarHBondContact O-N 3.26Å; Q222-E225 PolarHBondContact O-N 3.29Å; Q222-E226 HydrophobicContact CG-CG 4.38Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.49Å; Q222-E226 PolarHBondContact NE2-OE1 2.87Å; Q222-E226 WeakPolarHBondContact O-CB 3.35Å; Q222-E226 WeakPolarHBondContact O-CG 3.31Å; Q222-E226 PolarHBondContact O-N 3.18Å
223M97.6Very high97.6Very high71 Ų7155 Ų5535%0.3530%0.296SS..Hα-helixtrans-63.2-44177.9-176.8-82.7-68.200112.1I96 Q219 D220 E226 A227I96-M223 HydrophobicContact CD1-CE 3.95Å; I96-M223 HydrophobicContact CD1-SD 3.9Å; Q219-M223 PolarHBondContact O-N 3.35Å; D220-M223 WeakPolarHBondContact O-CB 3.34Å; D220-M223 PolarHBondContact O-N 2.83Å; D220-M223 VanDerWaalsContact O-N 3.1Å; M223-E226 PolarHBondContact O-N 2.8Å; M223-A227 WeakPolarHBondContact O-CB 3.35Å; M223-A227 PolarHBondContact O-N 2.94Å
224Y98.3Very high97.8Very high32 Ų3252.4 Ų52.413%0.12529%0.288CS..Hα-helixtrans-62.2-42.5174.6-57.4-44.2000111.9I96 G215 L216 D220 A227 Y228I96-Y224 HydrophobicContact CD1-CD1 3.7Å; I96-Y224 HydrophobicContact CD1-CE1 3.74Å; I96-Y224 HydrophobicContact CG1-CD1 4.12Å; I96-Y224 HydrophobicContact CG1-CE1 4.24Å; G215-Y224 PolarHBondContact O-OH 2.91Å; L216-Y224 HydrophobicContact CD2-CE2 4.34Å; D220-Y224 HydrophobicContact CB-CE2 3.92Å; D220-Y224 WeakPolarHBondContact O-CD2 3.34Å; D220-Y224 PolarHBondContact O-N 3.44Å; Y224-A227 PolarHBondContact O-N 2.7Å; Y224-Y228 WeakPolarHBondContact O-CB 3.36Å; Y224-Y228 PolarHBondContact O-N 3.5Å
225E98.7Very high97.8Very high23 Ų2352.9 Ų52.911%0.10729%0.287CS..Hα-helixtrans-61.4-46.5176.1176.6172.6106.500111.7R201 L221 Q222 A227 Y228 L229 R235 Y240R201-E225 IonicContact CZ-OE1 2.76Å; R201-E225 IonicContact NH1-OE1 3.6Å; R201-E225 PolarHBondContact NH1-OE1 3.37Å; R201-E225 VanDerWaalsContact NH1-OE1 3.16Å; R201-E225 IonicContact NH1-OE2 2.59Å; R201-E225 PolarHBondContact NH1-OE2 2.82Å; R201-E225 IonicContact NH2-OE1 3.42Å; L221-E225 WeakPolarHBondContact O-CB 3.35Å; L221-E225 PolarHBondContact O-N 3.01Å; Q222-E225 PolarHBondContact O-N 3.29Å; E225-A227 VanDerWaalsContact C-N 3.31Å; E225-A227 PolarHBondContact O-N 3.03Å; E225-Y228 PolarHBondContact O-N 3.46Å; E225-L229 HydrophobicContact CG-CD1 3.52Å; E225-L229 HydrophobicContact CG-CG 3.98Å; E225-L229 WeakPolarHBondContact O-CG 3.45Å; E225-L229 PolarHBondContact O-N 2.72Å; E225-R235 IonicContact OE1-CZ 2.77Å; E225-R235 IonicContact OE1-NE 3.93Å; E225-R235 PolarHBondContact OE1-NE 2.87Å; E225-R235 IonicContact OE1-NH2 2.79Å; E225-R235 PolarHBondContact OE1-NH2 3.08Å; E225-Y240 VanDerWaalsContact CD-OH 3.31Å; E225-Y240 HydrophobicContact CG-CE1 4.5Å; E225-Y240 VanDerWaalsContact CG-OH 3.22Å; E225-Y240 WeakPolarHBondContact CG-OH 3.48Å; E225-Y240 WeakPolarHBondContact OE2-CE1 3.38Å; E225-Y240 PolarHBondContact OE2-OH 3.45Å
226E98.3Very high98Very high99 Ų9957.1 Ų57.146%0.46330%0.3SS..Hα-helixtrans-65.9-32.1179.3-74.2172.7-17400113.1R130 Q222 M223R130-E226 PolarHBondContact NH1-O 3.31Å; Q222-E226 HydrophobicContact CG-CG 4.38Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.49Å; Q222-E226 PolarHBondContact NE2-OE1 2.87Å; Q222-E226 WeakPolarHBondContact O-CB 3.35Å; Q222-E226 WeakPolarHBondContact O-CG 3.31Å; Q222-E226 PolarHBondContact O-N 3.18Å; M223-E226 PolarHBondContact O-N 2.8Å
227A98.5Very high98Very high15 Ų1557.6 Ų57.612%0.12431%0.305CS..Hα-helixtrans-71.2-37.7172.500000111.9I96 S126 P127 R130 M223 Y224 E225I96-A227 HydrophobicContact CG2-CB 3.59Å; S126-A227 WeakPolarHBondContact CB-O 3.45Å; P127-A227 HydrophobicContact CB-CB 4.39Å; R130-A227 WeakPolarHBondContact CD-O 3.28Å; R130-A227 VanDerWaalsContact CZ-O 3.3Å; R130-A227 PolarHBondContact NE-O 3.4Å; R130-A227 VanDerWaalsContact NE-O 3.15Å; R130-A227 PolarHBondContact NH1-O 2.85Å; M223-A227 WeakPolarHBondContact O-CB 3.35Å; M223-A227 PolarHBondContact O-N 2.94Å; Y224-A227 PolarHBondContact O-N 2.7Å; E225-A227 VanDerWaalsContact C-N 3.31Å; E225-A227 PolarHBondContact O-N 3.03Å
228Y98.8Very high98.1Very high4 Ų457.9 Ų57.92%0.01631%0.307CS..Hα-helixtrans-79.9-47.5-175.1-176.9-118.6000113.6F95 S126 R130 F131 M169 Y224 E225 Y240F95-Y228 HydrophobicContact CB-CD2 3.63Å; F95-Y228 HydrophobicContact CB-CE2 4.34Å; F95-Y228 HydrophobicContact CB-CG 4.08Å; F95-Y228 HydrophobicContact CD1-CD1 4.43Å; F95-Y228 AromaticContact CD1-CD2 3.78Å; F95-Y228 HydrophobicContact CD1-CD2 3.78Å; F95-Y228 HydrophobicContact CD1-CE1 4.46Å; F95-Y228 AromaticContact CD1-CE2 3.82Å; F95-Y228 HydrophobicContact CD1-CE2 3.82Å; F95-Y228 HydrophobicContact CD1-CG 4.11Å; F95-Y228 HydrophobicContact CD2-CD1 4.34Å; F95-Y228 HydrophobicContact CD2-CD2 4.25Å; F95-Y228 AromaticContact CD2-CG 3.89Å; F95-Y228 HydrophobicContact CD2-CG 3.89Å; F95-Y228 HydrophobicContact CE1-CE1 4.41Å; F95-Y228 HydrophobicContact CE1-CE2 4.47Å; F95-Y228 HydrophobicContact CE2-CD1 4.46Å; F95-Y228 HydrophobicContact CE2-CG 4.45Å; F95-Y228 HydrophobicContact CG-CD1 4.36Å; F95-Y228 AromaticContact CG-CD2 3.6Å; F95-Y228 HydrophobicContact CG-CD2 3.6Å; F95-Y228 HydrophobicContact CG-CE2 4.14Å; F95-Y228 AromaticContact CG-CG 3.73Å; F95-Y228 HydrophobicContact CG-CG 3.73Å; S126-Y228 WeakPolarHBondContact OG-CD2 3.12Å; R130-Y228 CarbonylContact C-O 3.58Å; R130-Y228 VanDerWaalsContact CA-O 3.25Å; R130-Y228 WeakPolarHBondContact CA-O 3.2Å; F131-Y228 HydrophobicContact CB-CD1 4.12Å; F131-Y228 HydrophobicContact CB-CE1 3.76Å; F131-Y228 HydrophobicContact CB-CE2 4.45Å; F131-Y228 AromaticContact CD2-CE1 3.69Å; F131-Y228 HydrophobicContact CD2-CE1 3.69Å; F131-Y228 AromaticContact CD2-CZ 3.87Å; F131-Y228 HydrophobicContact CG-CE1 4.14Å; F131-Y228 PolarHBondContact N-O 2.8Å; M169-Y228 HydrophobicContact CE-CD1 4.49Å; M169-Y228 HydrophobicContact CE-CE1 4.05Å; M169-Y228 HydrophobicContact SD-CE1 4.27Å; Y224-Y228 WeakPolarHBondContact O-CB 3.36Å; Y224-Y228 PolarHBondContact O-N 3.5Å; E225-Y228 PolarHBondContact O-N 3.46Å; Y228-Y240 AromaticContact CD1-CD2 3.92Å; Y228-Y240 HydrophobicContact CD1-CD2 3.92Å; Y228-Y240 AromaticContact CD1-CE2 3.8Å; Y228-Y240 HydrophobicContact CD1-CE2 3.8Å; Y228-Y240 AromaticContact CE1-CD2 3.76Å; Y228-Y240 HydrophobicContact CE1-CD2 3.76Å; Y228-Y240 HydrophobicContact CE1-CE2 4.09Å
229L98.7Very high98.2Very high8 Ų857.1 Ų57.14%0.04230%0.302CS..  trans-74.4146.1-173.2-60.3-173.5000112R130 F131 E225 D234 R235 Y240R130-L229 PolarHBondContact NH1-O 3.47Å; F131-L229 HydrophobicContact CB-CD2 4Å; F131-L229 HydrophobicContact CG-CD2 4.25Å; E225-L229 HydrophobicContact CG-CD1 3.52Å; E225-L229 HydrophobicContact CG-CG 3.98Å; E225-L229 WeakPolarHBondContact O-CG 3.45Å; E225-L229 PolarHBondContact O-N 2.72Å; L229-D234 HydrophobicContact CB-CB 4.27Å; L229-D234 HydrophobicContact CD1-CB 4.4Å; L229-D234 HydrophobicContact CD2-CB 3.88Å; L229-D234 HydrophobicContact CG-CB 4.41Å; L229-R235 HydrophobicContact CD1-CB 4.35Å; L229-R235 HydrophobicContact CD1-CG 3.37Å; L229-Y240 HydrophobicContact CD1-CD1 4.39Å; L229-Y240 HydrophobicContact CD1-CE1 4.02Å; L229-Y240 HydrophobicContact CD2-CD1 4.14Å; L229-Y240 HydrophobicContact CD2-CD2 3.65Å; L229-Y240 HydrophobicContact CD2-CE1 4.26Å; L229-Y240 HydrophobicContact CD2-CE2 3.78Å; L229-Y240 HydrophobicContact CD2-CG 3.83Å; L229-Y240 HydrophobicContact CG-CE2 4.44Å
230S98.2Very high98.3Very high78 Ų7850.5 Ų50.555%0.54527%0.271SS..SBendtrans-84.8-34.2176.4-176.80000111.4D234S230-D234 WeakPolarHBondContact CA-OD2 3.36Å; S230-D234 WeakPolarHBondContact CB-OD2 3.37Å; S230-D234 PolarHBondContact N-OD2 3.15Å
231N97.7Very high98.4Very high75 Ų7549 Ų4940%0.40126%0.263SS..SBendtrans-149.8164.3179.565.982.5000111.5A233 D234N231-A233 PolarHBondContact O-N 3.49Å; N231-A233 WeakPolarHBondContact OD1-CA 3.17Å; N231-A233 VanDerWaalsContact OD1-CB 3.29Å; N231-A233 WeakPolarHBondContact OD1-CB 3.36Å; N231-A233 PolarHBondContact OD1-N 3.26Å; N231-D234 PolarHBondContact N-OD2 2.61Å; N231-D234 PolarHBondContact ND2-OD1 2.83Å; N231-D234 PolarHBondContact ND2-OD2 3.17Å; N231-D234 WeakPolarHBondContact O-CB 3.49Å; N231-D234 PolarHBondContact O-N 2.88Å; N231-D234 VanDerWaalsContact O-N 3.14Å; N231-D234 PolarHBondContact OD1-N 3.23Å; N231-D234 VanDerWaalsContact OD1-N 3.17Å; N231-D234 PolarHBondContact OD1-OD1 3.39Å
232D97.9Very high98.5Very high122 Ų12248 Ų4865%0.65226%0.259SS*.G310 helixtrans-63.4-27.6-176.3-69.9-28.3000113.9D234 R235D232-D234 VanDerWaalsContact C-N 3.29Å; D232-R235 WeakPolarHBondContact O-CB 3.28Å; D232-R235 WeakPolarHBondContact O-CG 3.25Å; D232-R235 PolarHBondContact O-N 2.88Å; D232-R235 IonicContact OD1-CZ 2.76Å; D232-R235 IonicContact OD1-NH1 3.17Å; D232-R235 PolarHBondContact OD1-NH1 3.25Å; D232-R235 IonicContact OD1-NH2 3.4Å
233A98.4Very high98.5Very high72 Ų7245.3 Ų45.360%0.59525%0.245SC*.G310 helixtrans-74-21.3179.500000112.3N231 R235 E236N231-A233 PolarHBondContact O-N 3.49Å; N231-A233 WeakPolarHBondContact OD1-CA 3.17Å; N231-A233 VanDerWaalsContact OD1-CB 3.29Å; N231-A233 WeakPolarHBondContact OD1-CB 3.36Å; N231-A233 PolarHBondContact OD1-N 3.26Å; A233-R235 PolarHBondContact O-N 2.93Å; A233-R235 VanDerWaalsContact O-N 3.12Å; A233-E236 PolarHBondContact O-N 3.45Å
234D98.7Very high98.6Very high23 Ų2345.7 Ų45.712%0.12325%0.249CC..G310 helixtrans-60.4-22.1174.7-63.2-25.8000112.1F131 L229 S230 N231 D232 E236 S237F131-D234 HydrophobicContact CD1-CB 3.75Å; F131-D234 HydrophobicContact CE1-CB 4.15Å; L229-D234 HydrophobicContact CB-CB 4.27Å; L229-D234 HydrophobicContact CD1-CB 4.4Å; L229-D234 HydrophobicContact CD2-CB 3.88Å; L229-D234 HydrophobicContact CG-CB 4.41Å; S230-D234 WeakPolarHBondContact CA-OD2 3.36Å; S230-D234 WeakPolarHBondContact CB-OD2 3.37Å; S230-D234 PolarHBondContact N-OD2 3.15Å; N231-D234 PolarHBondContact N-OD2 2.61Å; N231-D234 PolarHBondContact ND2-OD1 2.83Å; N231-D234 PolarHBondContact ND2-OD2 3.17Å; N231-D234 WeakPolarHBondContact O-CB 3.49Å; N231-D234 PolarHBondContact O-N 2.88Å; N231-D234 VanDerWaalsContact O-N 3.14Å; N231-D234 PolarHBondContact OD1-N 3.23Å; N231-D234 VanDerWaalsContact OD1-N 3.17Å; N231-D234 PolarHBondContact OD1-OD1 3.39Å; D232-D234 VanDerWaalsContact C-N 3.29Å; D234-E236 PolarHBondContact O-N 3.45Å; D234-S237 WeakPolarHBondContact O-CB 3.47Å; D234-S237 PolarHBondContact O-N 3.2Å
235R98.5Very high98.6Very high44 Ų4445.1 Ų45.117%0.16625%0.248CC..G310 helixtrans-56.3-31.4173.4-71.5175.8172.2106.411.5113.1E225 L229 D232 A233 C241E225-R235 IonicContact OE1-CZ 2.77Å; E225-R235 IonicContact OE1-NE 3.93Å; E225-R235 PolarHBondContact OE1-NE 2.87Å; E225-R235 IonicContact OE1-NH2 2.79Å; E225-R235 PolarHBondContact OE1-NH2 3.08Å; L229-R235 HydrophobicContact CD1-CB 4.35Å; L229-R235 HydrophobicContact CD1-CG 3.37Å; D232-R235 WeakPolarHBondContact O-CB 3.28Å; D232-R235 WeakPolarHBondContact O-CG 3.25Å; D232-R235 PolarHBondContact O-N 2.88Å; D232-R235 IonicContact OD1-CZ 2.76Å; D232-R235 IonicContact OD1-NH1 3.17Å; D232-R235 PolarHBondContact OD1-NH1 3.25Å; D232-R235 IonicContact OD1-NH2 3.4Å; A233-R235 PolarHBondContact O-N 2.93Å; A233-R235 VanDerWaalsContact O-N 3.12Å; R235-C241 VanDerWaalsContact O-CB 3.27Å; R235-C241 WeakPolarHBondContact O-CB 3.45Å
236E98.7Very high98.6Very high112 Ų11246 Ų4652%0.52325%0.253SS..G310 helixtrans-96.4-0.7-179.7-58.6-56.7152.300112.5A233 D234 N244A233-E236 PolarHBondContact O-N 3.45Å; D234-E236 PolarHBondContact O-N 3.45Å; E236-N244 WeakPolarHBondContact CA-ND2 3.49Å; E236-N244 PolarHBondContact O-ND2 3.05Å; E236-N244 PolarHBondContact OE2-ND2 3.24Å
237S98.8Very high98.6Very high23 Ų2341.5 Ų41.516%0.16123%0.232CC..  trans-61134.9178.8-177.30000110.8F131 D234 Y239 Y240 C241F131-S237 WeakPolarHBondContact CE1-OG 3.44Å; F131-S237 WeakPolarHBondContact CZ-OG 3.13Å; D234-S237 WeakPolarHBondContact O-CB 3.47Å; D234-S237 PolarHBondContact O-N 3.2Å; S237-Y239 PolarHBondContact O-N 2.68Å; S237-Y240 PolarHBondContact O-N 2.98Å; S237-C241 PolarHBondContact O-N 2.8Å
238P98.8Very high98.6Very high46 Ų4643.3 Ų43.330%0.29924%0.242SC..THydrogen-bonded Turntrans-68-2.9179.130.7-37.4000113.6L242 N245P238-L242 WeakPolarHBondContact O-CD2 3.5Å; P238-N245 HydrophobicContact CB-CB 3.71Å; P238-N245 WeakPolarHBondContact O-CB 3.47Å; P238-N245 PolarHBondContact O-ND2 3.36Å; P238-N245 VanDerWaalsContact O-ND2 3.13Å
239Y98.8Very high98.6Very high41 Ų4149.8 Ų49.816%0.16127%0.267CS..THydrogen-bonded Turntrans-109.54173.5-48-74.3000113.3F131 A173 W177 D180 S237 L242F131-Y239 WeakPolarHBondContact CE2-O 3.33Å; A173-Y239 WeakPolarHBondContact CB-O 3.45Å; W177-Y239 HydrophobicContact CB-CD1 4.18Å; W177-Y239 HydrophobicContact CB-CE1 4.05Å; W177-Y239 HydrophobicContact CD2-CE1 4.46Å; W177-Y239 AromaticContact CE3-CD1 3.77Å; W177-Y239 HydrophobicContact CE3-CD1 3.77Å; W177-Y239 AromaticContact CE3-CD2 3.65Å; W177-Y239 HydrophobicContact CE3-CD2 3.65Å; W177-Y239 AromaticContact CE3-CE1 3.96Å; W177-Y239 HydrophobicContact CE3-CE1 3.96Å; W177-Y239 AromaticContact CE3-CE2 3.84Å; W177-Y239 HydrophobicContact CE3-CE2 3.84Å; W177-Y239 AromaticContact CE3-CG 3.6Å; W177-Y239 HydrophobicContact CE3-CG 3.6Å; W177-Y239 AromaticContact CE3-CZ 3.98Å; W177-Y239 AromaticContact CZ3-CD2 3.71Å; W177-Y239 HydrophobicContact CZ3-CD2 3.71Å; W177-Y239 HydrophobicContact CZ3-CE2 4.01Å; W177-Y239 HydrophobicContact CZ3-CG 4.03Å; D180-Y239 HydrophobicContact CB-CE1 4.42Å; D180-Y239 WeakPolarHBondContact CB-OH 3.33Å; D180-Y239 VanDerWaalsContact OD2-CE1 3.3Å; D180-Y239 WeakPolarHBondContact OD2-CE1 3.44Å; D180-Y239 PolarHBondContact OD2-OH 3.5Å; S237-Y239 PolarHBondContact O-N 2.68Å; Y239-L242 VanDerWaalsContact C-CD2 3.42Å
240Y98.9Very high98.6Very high11 Ų1155.5 Ų55.54%0.04329%0.293CS..THydrogen-bonded Turntrans-116.5-61.6168.1177.1-104.9000110.2M169 E225 Y228 L229 S237 L242M169-Y240 HydrophobicContact CE-CD2 3.21Å; M169-Y240 HydrophobicContact CE-CE2 3.23Å; M169-Y240 HydrophobicContact CE-CG 4.34Å; M169-Y240 HydrophobicContact SD-CD2 4.27Å; E225-Y240 VanDerWaalsContact CD-OH 3.31Å; E225-Y240 HydrophobicContact CG-CE1 4.5Å; E225-Y240 VanDerWaalsContact CG-OH 3.22Å; E225-Y240 WeakPolarHBondContact CG-OH 3.48Å; E225-Y240 WeakPolarHBondContact OE2-CE1 3.38Å; E225-Y240 PolarHBondContact OE2-OH 3.45Å; Y228-Y240 AromaticContact CD1-CD2 3.92Å; Y228-Y240 HydrophobicContact CD1-CD2 3.92Å; Y228-Y240 AromaticContact CD1-CE2 3.8Å; Y228-Y240 HydrophobicContact CD1-CE2 3.8Å; Y228-Y240 AromaticContact CE1-CD2 3.76Å; Y228-Y240 HydrophobicContact CE1-CD2 3.76Å; Y228-Y240 HydrophobicContact CE1-CE2 4.09Å; L229-Y240 HydrophobicContact CD1-CD1 4.39Å; L229-Y240 HydrophobicContact CD1-CE1 4.02Å; L229-Y240 HydrophobicContact CD2-CD1 4.14Å; L229-Y240 HydrophobicContact CD2-CD2 3.65Å; L229-Y240 HydrophobicContact CD2-CE1 4.26Å; L229-Y240 HydrophobicContact CD2-CE2 3.78Å; L229-Y240 HydrophobicContact CD2-CG 3.83Å; L229-Y240 HydrophobicContact CG-CE2 4.44Å; S237-Y240 PolarHBondContact O-N 2.98Å; Y240-L242 PolarHBondContact O-N 3.22Å
241C98.9Very high98.7Very high11 Ų1152.1 Ų52.17%0.07427%0.269CS..SBendtrans-83.387.6165.2-171.90000108.9Y198 R235 S237 F243 N244Y198-C241 CarbonylContact O-C 3.53Å; Y198-C241 WeakPolarHBondContact O-CA 3.3Å; R235-C241 VanDerWaalsContact O-CB 3.27Å; R235-C241 WeakPolarHBondContact O-CB 3.45Å; S237-C241 PolarHBondContact O-N 2.8Å; C241-F243 PolarHBondContact O-N 2.83Å; C241-F243 VanDerWaalsContact O-N 3.17Å; C241-N244 HydrophobicContact CB-CB 4.47Å; C241-N244 WeakPolarHBondContact O-CB 3.23Å; C241-N244 PolarHBondContact O-N 3.02Å
242L98.9Very high98.7Very high0 Ų049.2 Ų49.20%025%0.254CS..G310 helixtrans-65.6-20.7-175.6-50.4-173.8000111.8L172 A173 L176 Y198 P238 Y239 Y240 N244 N245L172-L242 HydrophobicContact CB-CD1 3.72Å; L172-L242 HydrophobicContact CD2-CD1 3.69Å; L172-L242 HydrophobicContact CG-CD1 3.7Å; A173-L242 HydrophobicContact CB-CD2 3.97Å; L176-L242 HydrophobicContact CD1-CB 4.3Å; L176-L242 HydrophobicContact CD1-CD2 4.36Å; Y198-L242 HydrophobicContact CD1-CD1 3.98Å; Y198-L242 PolarHBondContact O-N 3.01Å; P238-L242 WeakPolarHBondContact O-CD2 3.5Å; Y239-L242 VanDerWaalsContact C-CD2 3.42Å; Y240-L242 PolarHBondContact O-N 3.22Å; L242-N244 PolarHBondContact O-N 2.87Å; L242-N245 VanDerWaalsContact O-CB 3.3Å; L242-N245 WeakPolarHBondContact O-CB 3.45Å; L242-N245 PolarHBondContact O-N 3.43Å
243F98.9Very high98.7Very high42 Ų4244.4 Ų44.418%0.18423%0.23CC..G310 helixtrans-66.5-18.9170.8-54.9-61.3000113.6Y198 L200 C241 N245 L247 L270 L271Y198-F243 HydrophobicContact CD2-CZ 4.16Å; Y198-F243 HydrophobicContact CG-CZ 4.43Å; Y198-F243 WeakPolarHBondContact O-CD2 3.28Å; L200-F243 HydrophobicContact CD2-CE2 4.38Å; L200-F243 HydrophobicContact CG-CD2 4.36Å; L200-F243 HydrophobicContact CG-CE2 3.79Å; C241-F243 PolarHBondContact O-N 2.83Å; C241-F243 VanDerWaalsContact O-N 3.17Å; F243-N245 VanDerWaalsContact C-N 3.34Å; F243-L247 HydrophobicContact CD1-CD1 4.22Å; F243-L270 HydrophobicContact CD1-CD2 3.83Å; F243-L270 HydrophobicContact CD1-CG 3.89Å; F243-L270 HydrophobicContact CD2-CD2 3.99Å; F243-L270 HydrophobicContact CE1-CB 3.91Å; F243-L270 HydrophobicContact CE1-CD2 3.7Å; F243-L270 HydrophobicContact CE1-CG 3.51Å; F243-L270 HydrophobicContact CE2-CD2 3.85Å; F243-L270 HydrophobicContact CE2-CG 4.49Å; F243-L270 HydrophobicContact CG-CD2 3.98Å; F243-L270 HydrophobicContact CZ-CB 3.89Å; F243-L270 HydrophobicContact CZ-CD2 3.69Å; F243-L270 HydrophobicContact CZ-CG 3.83Å; F243-L271 HydrophobicContact CE1-CB 4.14Å
244N98.8Very high98.8Very high78 Ų7841 Ų4142%0.41720%0.202SC..G310 helixtrans-84.2-11.4171.6-66.8-2000112.2E236 C241 L242E236-N244 WeakPolarHBondContact CA-ND2 3.49Å; E236-N244 PolarHBondContact O-ND2 3.05Å; E236-N244 PolarHBondContact OE2-ND2 3.24Å; C241-N244 HydrophobicContact CB-CB 4.47Å; C241-N244 WeakPolarHBondContact O-CB 3.23Å; C241-N244 PolarHBondContact O-N 3.02Å; L242-N244 PolarHBondContact O-N 2.87Å
245N98.8Very high98.8Very high20 Ų2039.9 Ų39.911%0.10720%0.196CC..SBendtrans-80.9164.7172.1-151.9-38.8000110.3L176 R179 D180 P238 L242 F243 L247L176-N245 HydrophobicContact CD1-CB 4.33Å; R179-N245 PolarHBondContact NH2-OD1 3.27Å; D180-N245 PolarHBondContact OD2-ND2 3.1Å; D180-N245 PolarHBondContact OD2-OD1 3.02Å; P238-N245 HydrophobicContact CB-CB 3.71Å; P238-N245 WeakPolarHBondContact O-CB 3.47Å; P238-N245 PolarHBondContact O-ND2 3.36Å; P238-N245 VanDerWaalsContact O-ND2 3.13Å; L242-N245 VanDerWaalsContact O-CB 3.3Å; L242-N245 WeakPolarHBondContact O-CB 3.45Å; L242-N245 PolarHBondContact O-N 3.43Å; F243-N245 VanDerWaalsContact C-N 3.34Å; N245-L247 PolarHBondContact O-N 3.24Å; N245-L247 VanDerWaalsContact O-N 3.13Å
246D98.8Very high98.8Very high41 Ų4137.8 Ų37.822%0.21919%0.188CC..  trans-73.1102.9171.6-171-11.7000111R179 T248 R249R179-D246 VanDerWaalsContact CZ-O 3.3Å; R179-D246 PolarHBondContact NH1-O 3.06Å; R179-D246 PolarHBondContact NH2-O 3.03Å; D246-T248 WeakPolarHBondContact OD1-CA 3.45Å; D246-T248 VanDerWaalsContact OD1-CB 3.3Å; D246-T248 WeakPolarHBondContact OD1-CB 3.42Å; D246-T248 PolarHBondContact OD1-N 3.31Å; D246-T248 PolarHBondContact OD1-OG1 3.15Å; D246-R249 IonicContact OD1-NH2 3.91Å; D246-R249 IonicContact OD2-CZ 3.36Å; D246-R249 IonicContact OD2-NE 3.13Å; D246-R249 IonicContact OD2-NH1 2.93Å; D246-R249 PolarHBondContact OD2-NH1 3.09Å; D246-R249 IonicContact OD2-NH2 2.77Å; D246-R249 PolarHBondContact OD2-NH2 3.05Å
247L98.9Very high98.8Very high5 Ų532.5 Ų32.53%0.02616%0.163CC..  trans-99.214.5174.4-59.6-179.5000112.3L176 F243 N245 V251 L271 T274 L275 Q280L176-L247 HydrophobicContact CD1-CD2 3.98Å; L176-L247 HydrophobicContact CD2-CD2 4.25Å; F243-L247 HydrophobicContact CD1-CD1 4.22Å; N245-L247 PolarHBondContact O-N 3.24Å; N245-L247 VanDerWaalsContact O-N 3.13Å; L247-V251 HydrophobicContact CD2-CG2 4.3Å; L247-L271 HydrophobicContact CD1-CD1 4.11Å; L247-T274 HydrophobicContact CB-CG2 3.92Å; L247-T274 HydrophobicContact CD1-CG2 4.04Å; L247-L275 HydrophobicContact CB-CD2 4.06Å; L247-Q280 WeakPolarHBondContact O-CG 3.01Å
248T98.8Very high98.8Very high54 Ų5431.4 Ų31.433%0.33116%0.155SC..SBendtrans-93.8-15.7-17473.80000113.7D246 Q280D246-T248 WeakPolarHBondContact OD1-CA 3.45Å; D246-T248 VanDerWaalsContact OD1-CB 3.3Å; D246-T248 WeakPolarHBondContact OD1-CB 3.42Å; D246-T248 PolarHBondContact OD1-N 3.31Å; D246-T248 PolarHBondContact OD1-OG1 3.15Å; T248-Q280 PolarHBondContact O-NE2 3.27Å; T248-Q280 VanDerWaalsContact O-NE2 3.16Å
249R98.5Very high98.8Very high140 Ų14029.2 Ų29.253%0.52814%0.141SC..SBendtrans-149.2153.2-17873.2-176.381.993.318.3112.6R179 D246 V251 Q280R179-R249 PolarHBondContact NH1-O 2.93Å; D246-R249 IonicContact OD1-NH2 3.91Å; D246-R249 IonicContact OD2-CZ 3.36Å; D246-R249 IonicContact OD2-NE 3.13Å; D246-R249 IonicContact OD2-NH1 2.93Å; D246-R249 PolarHBondContact OD2-NH1 3.09Å; D246-R249 IonicContact OD2-NH2 2.77Å; D246-R249 PolarHBondContact OD2-NH2 3.05Å; R249-V251 PolarHBondContact O-N 3.49Å; R249-Q280 VanDerWaalsContact C-OE1 3.24Å
250E98.4Very high98.8Very high128 Ų12830.7 Ų30.760%0.59815%0.149SC*.  trans51.528169.8-61.8177.2-177.100114.2R179 Q280R179-E250 WeakPolarHBondContact CD-O 3.48Å; R179-E250 HydrophobicContact CG-CB 4.33Å; E250-Q280 VanDerWaalsContact N-OE1 3.08Å
251V98.8Very high98.8Very high6 Ų631.2 Ų31.24%0.03615%0.152CC..PPolyproline II helixtrans-79.1127.4171.7-1750000107.9L176 L247 R249 L275 Q280L176-V251 HydrophobicContact CD2-CG2 4.5Å; L247-V251 HydrophobicContact CD2-CG2 4.3Å; R249-V251 PolarHBondContact O-N 3.49Å; V251-L275 HydrophobicContact CB-CD2 4.04Å; V251-L275 HydrophobicContact CG1-CD1 4.41Å; V251-L275 HydrophobicContact CG1-CD2 3.83Å; V251-L275 HydrophobicContact CG2-CD2 3.88Å; V251-Q280 HydrophobicContact CB-CB 4.31Å; V251-Q280 HydrophobicContact CB-CG 4.16Å; V251-Q280 HydrophobicContact CG2-CG 4.13Å
252P98.7Very high98.8Very high14 Ų1430.7 Ų30.79%0.09115%0.149CC..PPolyproline II helixtrans-59.6156.7176.1-23.734.1000112.4A175 I188 V191 C254A175-P252 HydrophobicContact CB-CG 4.47Å; I188-P252 HydrophobicContact CB-CB 4.03Å; I188-P252 HydrophobicContact CB-CG 3.83Å; I188-P252 HydrophobicContact CD1-CG 4.18Å; I188-P252 HydrophobicContact CG2-CB 3.62Å; I188-P252 HydrophobicContact CG2-CG 3.69Å; V191-P252 HydrophobicContact CG2-CB 4.12Å; P252-C254 PolarHBondContact O-N 3.21Å; P252-C254 VanDerWaalsContact O-N 3.14Å; P252-C254 PolarHBondContact O-SG 3.2Å
253P98.9Very high98.8Very high22 Ų2230.7 Ų30.714%0.14315%0.149CC..PPolyproline II helixtrans-50.5120.2176.1-28.235.9000112.8A189 G190 V191 P281 F314 Q318A189-P253 WeakPolarHBondContact O-CD 3.46Å; A189-P253 WeakPolarHBondContact O-CG 3.44Å; G190-P253 CarbonylContact C-O 3.56Å; G190-P253 WeakPolarHBondContact CA-O 3.19Å; V191-P253 PolarHBondContact N-O 3.46Å; P253-P281 CarbonylContact C-O 3.41Å; P253-P281 VanDerWaalsContact CA-O 3.29Å; P253-P281 WeakPolarHBondContact CA-O 3.45Å; P253-P281 HydrophobicContact CB-CB 4.06Å; P253-P281 HydrophobicContact CB-CG 4.2Å; P253-P281 HydrophobicContact CG-CB 4Å; P253-P281 HydrophobicContact CG-CG 3.83Å; P253-F314 HydrophobicContact CB-CE1 3.86Å; P253-F314 HydrophobicContact CB-CZ 3.71Å; P253-Q318 HydrophobicContact CB-CG 4.03Å; P253-Q318 HydrophobicContact CG-CG 4.28Å
254C99Very high98.8Very high0 Ų028.7 Ų28.70%014%0.14CC..EExtended strand (participates in β ladder)trans-108.7121.8-177.1-71.80000112.2V191 L193 P252 I256 L275 P281 C282 E283V191-C254 WeakPolarHBondContact O-CA 3.49Å; L193-C254 HydrophobicContact CD1-CB 4.36Å; P252-C254 PolarHBondContact O-N 3.21Å; P252-C254 VanDerWaalsContact O-N 3.14Å; P252-C254 PolarHBondContact O-SG 3.2Å; C254-I256 HydrophobicContact CB-CD1 4.3Å; C254-I256 HydrophobicContact CB-CG1 4.1Å; C254-L275 HydrophobicContact CB-CD1 3.92Å; C254-P281 PolarHBondContact N-O 3.17Å; C254-C282 HydrophobicContact CB-CB 4.31Å; C254-C282 CarbonylContact O-C 3.51Å; C254-C282 WeakPolarHBondContact O-CA 3.49Å; C254-E283 PolarHBondContact O-N 3.15Å
255F99Very high98.8Very high0 Ų025.1 Ų25.10%012%0.121CC..EExtended strand (participates in β ladder)trans-92.1116.5164.7176.6-101.9000109.4V191 L192 L193 W194 A257 E283 Y287 D310 F314V191-F255 PolarHBondContact O-N 3.23Å; L192-F255 HydrophobicContact CD2-CB 3.69Å; L192-F255 HydrophobicContact CD2-CD1 4.46Å; L192-F255 HydrophobicContact CD2-CG 4.36Å; L193-F255 WeakPolarHBondContact CA-O 3.48Å; L193-F255 WeakPolarHBondContact CB-O 3.45Å; L193-F255 PolarHBondContact N-O 3.44Å; W194-F255 AromaticContact NE1-CE1 3.79Å; F255-A257 HydrophobicContact CE1-CB 3.81Å; F255-A257 HydrophobicContact CZ-CB 4.29Å; F255-E283 HydrophobicContact CD2-CB 4.42Å; F255-Y287 WeakPolarHBondContact CZ-OH 3.18Å; F255-D310 HydrophobicContact CE2-CB 3.92Å; F255-D310 HydrophobicContact CZ-CB 3.62Å; F255-F314 HydrophobicContact CB-CB 4.11Å; F255-F314 HydrophobicContact CB-CD1 3.6Å; F255-F314 HydrophobicContact CB-CD2 4.08Å; F255-F314 HydrophobicContact CB-CE1 3.97Å; F255-F314 HydrophobicContact CB-CE2 4.4Å; F255-F314 HydrophobicContact CB-CG 3.66Å; F255-F314 HydrophobicContact CB-CZ 4.35Å; F255-F314 HydrophobicContact CD2-CB 3.93Å; F255-F314 HydrophobicContact CD2-CD2 4.12Å; F255-F314 HydrophobicContact CD2-CG 4.07Å; F255-F314 HydrophobicContact CG-CB 4.2Å; F255-F314 HydrophobicContact CG-CG 4.22Å
256I99Very high98.8Very high0 Ų025.4 Ų25.40%012%0.122CC..EExtended strand (participates in β ladder)trans-116.5104.4-171.6-52.5166.9000109.2L193 C254 L271 L275 C282 E283 F284 K285L193-I256 HydrophobicContact CD1-CG1 4.31Å; C254-I256 HydrophobicContact CB-CD1 4.3Å; C254-I256 HydrophobicContact CB-CG1 4.1Å; I256-L271 HydrophobicContact CD1-CB 4.35Å; I256-L271 HydrophobicContact CD1-CD2 3.85Å; I256-L271 HydrophobicContact CD1-CG 3.79Å; I256-L271 HydrophobicContact CG1-CD2 4.1Å; I256-L275 HydrophobicContact CD1-CD1 4.23Å; I256-C282 HydrophobicContact CD1-CB 4.36Å; I256-E283 PolarHBondContact N-O 3.16Å; I256-F284 HydrophobicContact CB-CD2 4.16Å; I256-F284 HydrophobicContact CG2-CD2 3.88Å; I256-F284 HydrophobicContact CG2-CE2 4.43Å; I256-F284 VanDerWaalsContact O-CA 3.32Å; I256-F284 WeakPolarHBondContact O-CA 3.18Å; I256-F284 WeakPolarHBondContact O-CD2 3.31Å; I256-K285 PolarHBondContact O-N 2.97Å
257A98.9Very high98.8Very high0 Ų023.5 Ų23.50%011%0.112CC..EExtended strand (participates in β ladder)trans-97.9120179.400000110.9L193 W194 Y195 F255 K285 Y287L193-A257 PolarHBondContact O-N 2.8Å; W194-A257 HydrophobicContact CB-CB 4.45Å; W194-A257 HydrophobicContact CG-CB 4.18Å; Y195-A257 WeakPolarHBondContact CA-O 3.27Å; Y195-A257 PolarHBondContact N-O 3.47Å; F255-A257 HydrophobicContact CE1-CB 3.81Å; F255-A257 HydrophobicContact CZ-CB 4.29Å; A257-K285 CarbonylContact C-O 3.35Å; A257-K285 WeakPolarHBondContact CA-O 3.18Å; A257-Y287 HydrophobicContact CB-CD2 4.09Å; A257-Y287 HydrophobicContact CB-CE2 3.53Å
258G98.9Very high98.8Very high0 Ų023.2 Ų23.20%011%0.11CC..EExtended strand (participates in β ladder)trans-98.6143.1172.800000112K285 Y287G258-K285 PolarHBondContact N-O 2.92Å; G258-Y287 PolarHBondContact O-N 2.93Å
259A98.9Very high98.8Very high0 Ų024.9 Ų24.90%011%0.111CC..EExtended strand (participates in β ladder)trans-95.8135.7165.500000110F261 D262 T290 F294A259-F261 PolarHBondContact O-N 2.94Å; A259-D262 HydrophobicContact CB-CB 3.75Å; A259-D262 WeakPolarHBondContact O-CB 3.05Å; A259-T290 WeakPolarHBondContact CA-OG1 3.45Å; A259-T290 WeakPolarHBondContact CB-OG1 3.45Å; A259-F294 HydrophobicContact CB-CD1 3.98Å; A259-F294 HydrophobicContact CB-CE1 4.04Å
260E98.8Very high98.8Very high72 Ų7220.8 Ų20.834%0.33610%0.099SC..EExtended strand (participates in β ladder)trans-63.2-43.7-170.8-177.4174.6-167.500113.7L286 Y287 P288 G289 T290E260-L286 HydrophobicContact CB-CD1 4.33Å; E260-Y287 PolarHBondContact N-O 2.71Å; E260-P288 WeakPolarHBondContact OE2-CA 3.33Å; E260-P288 WeakPolarHBondContact OE2-CB 3.49Å; E260-G289 PolarHBondContact OE2-N 2.97Å; E260-T290 PolarHBondContact N-OG1 2.84Å
261F98.8Very high98.9Very high23 Ų2314.7 Ų14.710%0.1017%0.071CC..EExtended strand (participates in β ladder)trans-106.351.1-178.3-60.9-71000111.4V9 L12 I13 L209 A259 T290 L291V9-F261 HydrophobicContact CG1-CB 3.67Å; V9-F261 HydrophobicContact CG1-CG 4.15Å; L12-F261 HydrophobicContact CB-CD1 4.46Å; L12-F261 HydrophobicContact CB-CE1 3.69Å; L12-F261 HydrophobicContact CB-CE2 4Å; L12-F261 HydrophobicContact CB-CZ 3.43Å; L12-F261 VanDerWaalsContact CB-CZ 3.43Å; L12-F261 HydrophobicContact CD1-CE1 3.79Å; L12-F261 HydrophobicContact CD1-CZ 4.32Å; L12-F261 HydrophobicContact CG-CE1 4.4Å; L12-F261 HydrophobicContact CG-CZ 4.48Å; I13-F261 HydrophobicContact CG2-CB 4.32Å; I13-F261 HydrophobicContact CG2-CD2 3.68Å; I13-F261 HydrophobicContact CG2-CE2 4.38Å; I13-F261 HydrophobicContact CG2-CG 4.22Å; L209-F261 HydrophobicContact CD2-CD1 4.24Å; A259-F261 PolarHBondContact O-N 2.94Å; F261-T290 PolarHBondContact N-O 3.39Å; F261-L291 HydrophobicContact CB-CD2 4.23Å
262D98.8Very high98.9Very high0 Ų018.7 Ų18.70%09%0.085CC..  trans-117.5127.4179.6-176.3-11.4000111.2Y195 L209 A259 L264 L265 H292Y195-D262 WeakPolarHBondContact CB-OD2 3.34Å; L209-D262 WeakPolarHBondContact CD1-O 3.29Å; A259-D262 HydrophobicContact CB-CB 3.75Å; A259-D262 WeakPolarHBondContact O-CB 3.05Å; D262-L264 PolarHBondContact O-N 3.3Å; D262-L264 VanDerWaalsContact O-N 3.16Å; D262-L264 WeakPolarHBondContact OD1-CB 3.19Å; D262-L264 PolarHBondContact OD1-N 3.02Å; D262-L265 HydrophobicContact CB-CB 4.48Å; D262-L265 VanDerWaalsContact O-CB 3.29Å; D262-L265 WeakPolarHBondContact O-CB 3.36Å; D262-L265 PolarHBondContact O-N 3.44Å; D262-L265 VanDerWaalsContact O-N 3.12Å; D262-H292 HydrophobicContact CB-CB 4.39Å; D262-H292 IonicContact OD1-CG 2.8Å; D262-H292 IonicContact OD1-ND1 3.5Å; D262-H292 PolarHBondContact OD1-ND1 2.75Å; D262-H292 IonicContact OD2-CE1 3.72Å; D262-H292 IonicContact OD2-CG 3.77Å; D262-H292 IonicContact OD2-ND1 3.1Å; D262-H292 PolarHBondContact OD2-ND1 2.88Å
263P98.7Very high98.9Very high0 Ų023.6 Ų23.60%011%0.107CC..THydrogen-bonded Turntrans-57-25.3173.223.7-33.5000113.7T205 R206 L209 L216 L265T205-P263 CarbonylContact C-O 3.47Å; T205-P263 WeakPolarHBondContact CB-O 3.16Å; T205-P263 PolarHBondContact OG1-O 2.8Å; R206-P263 VanDerWaalsContact CG-O 3.24Å; R206-P263 WeakPolarHBondContact CG-O 3.4Å; R206-P263 PolarHBondContact N-O 2.69Å; R206-P263 VanDerWaalsContact N-O 3.16Å; L209-P263 HydrophobicContact CB-CB 4.26Å; L216-P263 HydrophobicContact CB-CG 3.51Å; L216-P263 HydrophobicContact CD1-CG 3.9Å; L216-P263 HydrophobicContact CG-CG 4.39Å; P263-L265 VanDerWaalsContact C-N 3.35Å
264L98.8Very high98.9Very high0 Ų024.2 Ų24.20%011%0.111CC..THydrogen-bonded Turntrans-84.9-2.6179.9-55.3-178.7000114L197 L216 L221 D262 D266 D267L197-L264 HydrophobicContact CB-CD1 4.08Å; L197-L264 HydrophobicContact CB-CD2 4.02Å; L216-L264 HydrophobicContact CD1-CD1 4.35Å; L216-L264 HydrophobicContact CD1-CG 4.48Å; L221-L264 HydrophobicContact CD1-CD2 4.26Å; L221-L264 HydrophobicContact CD2-CD2 3.99Å; D262-L264 PolarHBondContact O-N 3.3Å; D262-L264 VanDerWaalsContact O-N 3.16Å; D262-L264 WeakPolarHBondContact OD1-CB 3.19Å; D262-L264 PolarHBondContact OD1-N 3.02Å; L264-D266 VanDerWaalsContact C-N 3.25Å; L264-D266 PolarHBondContact O-N 2.95Å; L264-D266 VanDerWaalsContact O-N 3.16Å; L264-D267 WeakPolarHBondContact O-CB 3.19Å; L264-D267 PolarHBondContact O-N 3.28Å
265L98.9Very high98.9Very high3 Ų324.2 Ų24.22%0.01611%0.111CC..Hα-helixtrans-55.8-37.1-176.3172.961.4000113.6T205 D262 P263 D267 S268 R269 F284 L286T205-L265 HydrophobicContact CG2-CB 3.95Å; T205-L265 HydrophobicContact CG2-CD2 4.3Å; T205-L265 HydrophobicContact CG2-CG 4.33Å; D262-L265 HydrophobicContact CB-CB 4.48Å; D262-L265 VanDerWaalsContact O-CB 3.29Å; D262-L265 WeakPolarHBondContact O-CB 3.36Å; D262-L265 PolarHBondContact O-N 3.44Å; D262-L265 VanDerWaalsContact O-N 3.12Å; P263-L265 VanDerWaalsContact C-N 3.35Å; L265-D267 VanDerWaalsContact C-N 3.29Å; L265-D267 PolarHBondContact O-N 2.75Å; L265-S268 PolarHBondContact O-N 3.44Å; L265-R269 HydrophobicContact CD1-CG 4.39Å; L265-R269 VanDerWaalsContact CD2-CZ 3.44Å; L265-R269 HydrophobicContact CG-CG 4.47Å; L265-R269 WeakPolarHBondContact O-CG 3.26Å; L265-R269 PolarHBondContact O-N 2.8Å; L265-F284 HydrophobicContact CD1-CZ 4.28Å; L265-L286 HydrophobicContact CD1-CD1 3.55Å; L265-L286 HydrophobicContact CD2-CD1 4.03Å; L265-L286 HydrophobicContact CG-CD1 4.47Å
266D98.9Very high98.9Very high26 Ų2626.3 Ų26.314%0.13913%0.128CC..Hα-helixtrans-69-23.1178-75.5-14.8000113.5L200 V204 T205 L264 R269 L270L200-D266 HydrophobicContact CD1-CB 4.39Å; V204-D266 WeakPolarHBondContact CB-OD2 3.49Å; V204-D266 PolarHBondContact N-OD2 3.3Å; V204-D266 VanDerWaalsContact N-OD2 3.07Å; T205-D266 HydrophobicContact CG2-CB 4.24Å; T205-D266 VanDerWaalsContact CG2-OD1 3.26Å; T205-D266 WeakPolarHBondContact CG2-OD1 3.48Å; T205-D266 WeakPolarHBondContact CG2-OD2 3.44Å; T205-D266 PolarHBondContact N-OD2 3.36Å; T205-D266 VanDerWaalsContact OG1-CB 3.28Å; T205-D266 WeakPolarHBondContact OG1-CB 3.37Å; T205-D266 VanDerWaalsContact OG1-CG 3.27Å; T205-D266 PolarHBondContact OG1-N 2.89Å; T205-D266 VanDerWaalsContact OG1-N 3.12Å; T205-D266 PolarHBondContact OG1-OD2 3.08Å; L264-D266 VanDerWaalsContact C-N 3.25Å; L264-D266 PolarHBondContact O-N 2.95Å; L264-D266 VanDerWaalsContact O-N 3.16Å; D266-R269 PolarHBondContact O-N 3.16Å; D266-R269 VanDerWaalsContact OD1-CD 3.29Å; D266-R269 WeakPolarHBondContact OD1-CD 3.13Å; D266-R269 IonicContact OD1-CZ 2.75Å; D266-R269 IonicContact OD1-NH1 3.83Å; D266-R269 PolarHBondContact OD1-NH1 3.17Å; D266-L270 VanDerWaalsContact O-CB 3.31Å; D266-L270 WeakPolarHBondContact O-CB 3.42Å; D266-L270 PolarHBondContact O-N 2.79Å
267D98.9Very high98.9Very high0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-63.3-48.7170.2-76.4-110.5000109.8Y198 G199 L200 R206 L264 L265 R269 L270 L271Y198-D267 HydrophobicContact CD2-CB 3.83Å; Y198-D267 HydrophobicContact CE2-CB 4.3Å; Y198-D267 PolarHBondContact N-OD1 2.69Å; G199-D267 PolarHBondContact N-OD1 3.37Å; L200-D267 PolarHBondContact N-OD1 3.46Å; R206-D267 IonicContact CZ-OD2 3.74Å; R206-D267 IonicContact NE-OD2 2.72Å; R206-D267 PolarHBondContact NE-OD2 3.03Å; R206-D267 VanDerWaalsContact NE-OD2 3.13Å; R206-D267 IonicContact NH2-OD1 3.5Å; R206-D267 PolarHBondContact NH2-OD1 2.87Å; R206-D267 IonicContact NH2-OD2 2.63Å; R206-D267 PolarHBondContact NH2-OD2 3.35Å; L264-D267 WeakPolarHBondContact O-CB 3.19Å; L264-D267 PolarHBondContact O-N 3.28Å; L265-D267 VanDerWaalsContact C-N 3.29Å; L265-D267 PolarHBondContact O-N 2.75Å; D267-R269 PolarHBondContact O-N 3.08Å; D267-L270 PolarHBondContact O-N 2.73Å; D267-L271 WeakPolarHBondContact O-CB 3.47Å; D267-L271 PolarHBondContact O-N 2.87Å
268S98.9Very high98.9Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-61.7-40.1174.8-74.50000113L265 Y272L265-S268 PolarHBondContact O-N 3.44Å; S268-Y272 WeakPolarHBondContact O-CB 3.3Å; S268-Y272 PolarHBondContact O-N 3.36Å
269R98.9Very high98.9Very high88 Ų8842.7 Ų42.733%0.33222%0.218SC..Hα-helixtrans-64.7-44.3176.1-72.9168.7167160.2-1.4111.8L265 D266 D267 Y272 Q273 F284L265-R269 HydrophobicContact CD1-CG 4.39Å; L265-R269 VanDerWaalsContact CD2-CZ 3.44Å; L265-R269 HydrophobicContact CG-CG 4.47Å; L265-R269 WeakPolarHBondContact O-CG 3.26Å; L265-R269 PolarHBondContact O-N 2.8Å; D266-R269 PolarHBondContact O-N 3.16Å; D266-R269 VanDerWaalsContact OD1-CD 3.29Å; D266-R269 WeakPolarHBondContact OD1-CD 3.13Å; D266-R269 IonicContact OD1-CZ 2.75Å; D266-R269 IonicContact OD1-NH1 3.83Å; D266-R269 PolarHBondContact OD1-NH1 3.17Å; D267-R269 PolarHBondContact O-N 3.08Å; R269-Y272 PolarHBondContact O-N 2.8Å; R269-Q273 WeakPolarHBondContact O-CB 3.46Å; R269-Q273 WeakPolarHBondContact O-CG 3.46Å; R269-Q273 PolarHBondContact O-N 3.18Å; R269-F284 HydrophobicContact CG-CE2 4.39Å; R269-F284 HydrophobicContact CG-CZ 4.1Å
270L98.9Very high98.9Very high55 Ų5544.1 Ų44.129%0.28822%0.224SC..Hα-helixtrans-64.9-42179.2-179.759.5000111.1L200 F243 D266 D267 Q273 T274L200-L270 HydrophobicContact CD1-CB 4.42Å; L200-L270 HydrophobicContact CD1-CD2 4.03Å; L200-L270 HydrophobicContact CD2-CD2 3.6Å; L200-L270 HydrophobicContact CG-CD2 3.96Å; F243-L270 HydrophobicContact CD1-CD2 3.83Å; F243-L270 HydrophobicContact CD1-CG 3.89Å; F243-L270 HydrophobicContact CD2-CD2 3.99Å; F243-L270 HydrophobicContact CE1-CB 3.91Å; F243-L270 HydrophobicContact CE1-CD2 3.7Å; F243-L270 HydrophobicContact CE1-CG 3.51Å; F243-L270 HydrophobicContact CE2-CD2 3.85Å; F243-L270 HydrophobicContact CE2-CG 4.49Å; F243-L270 HydrophobicContact CG-CD2 3.98Å; F243-L270 HydrophobicContact CZ-CB 3.89Å; F243-L270 HydrophobicContact CZ-CD2 3.69Å; F243-L270 HydrophobicContact CZ-CG 3.83Å; D266-L270 VanDerWaalsContact O-CB 3.31Å; D266-L270 WeakPolarHBondContact O-CB 3.42Å; D266-L270 PolarHBondContact O-N 2.79Å; D267-L270 PolarHBondContact O-N 2.73Å; L270-Q273 PolarHBondContact O-N 2.94Å; L270-T274 VanDerWaalsContact O-CB 3.3Å; L270-T274 WeakPolarHBondContact O-CB 3.31Å; L270-T274 PolarHBondContact O-N 3.04Å; L270-T274 PolarHBondContact O-OG1 3.25Å
271L98.9Very high98.9Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-58.9-51.8175.3179.563.6000110.8L172 L193 Y198 F243 L247 I256 D267 Q273 T274 L275L172-L271 HydrophobicContact CD2-CD1 3.79Å; L172-L271 HydrophobicContact CD2-CD2 3.73Å; L172-L271 HydrophobicContact CD2-CG 4.44Å; L193-L271 HydrophobicContact CD1-CD2 3.65Å; Y198-L271 HydrophobicContact CD1-CD2 4.45Å; Y198-L271 HydrophobicContact CD2-CB 3.98Å; Y198-L271 HydrophobicContact CD2-CD2 3.98Å; Y198-L271 HydrophobicContact CE1-CD2 4.13Å; Y198-L271 HydrophobicContact CE2-CB 4.11Å; Y198-L271 HydrophobicContact CE2-CD2 3.66Å; Y198-L271 HydrophobicContact CG-CD2 4.38Å; F243-L271 HydrophobicContact CE1-CB 4.14Å; L247-L271 HydrophobicContact CD1-CD1 4.11Å; I256-L271 HydrophobicContact CD1-CB 4.35Å; I256-L271 HydrophobicContact CD1-CD2 3.85Å; I256-L271 HydrophobicContact CD1-CG 3.79Å; I256-L271 HydrophobicContact CG1-CD2 4.1Å; D267-L271 WeakPolarHBondContact O-CB 3.47Å; D267-L271 PolarHBondContact O-N 2.87Å; L271-Q273 PolarHBondContact O-N 2.98Å; L271-T274 PolarHBondContact O-N 2.7Å; L271-L275 HydrophobicContact CD1-CD1 3.95Å; L271-L275 HydrophobicContact CD1-CG 4.08Å; L271-L275 HydrophobicContact CG-CD1 4.1Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 3.46Å
272Y98.9Very high98.9Very high89 Ų8944 Ų4435%0.34923%0.232SC..Hα-helixtrans-57.5-49.7178169.8-112.8000112.4S268 R269 T274 L275 A276 F284S268-Y272 WeakPolarHBondContact O-CB 3.3Å; S268-Y272 PolarHBondContact O-N 3.36Å; R269-Y272 PolarHBondContact O-N 2.8Å; Y272-T274 VanDerWaalsContact C-N 3.29Å; Y272-T274 PolarHBondContact O-N 2.95Å; Y272-L275 PolarHBondContact O-N 3.37Å; Y272-A276 HydrophobicContact CE2-CB 4.28Å; Y272-A276 VanDerWaalsContact O-CB 3.23Å; Y272-A276 WeakPolarHBondContact O-CB 3.37Å; Y272-A276 PolarHBondContact O-N 3.2Å; Y272-F284 HydrophobicContact CD1-CB 3.81Å; Y272-F284 HydrophobicContact CD1-CD1 4.46Å; Y272-F284 HydrophobicContact CD1-CG 4.1Å; Y272-F284 HydrophobicContact CD2-CB 3.34Å; Y272-F284 HydrophobicContact CD2-CG 4.38Å; Y272-F284 HydrophobicContact CE1-CB 4.17Å; Y272-F284 HydrophobicContact CE2-CB 3.74Å; Y272-F284 HydrophobicContact CG-CB 3.37Å; Y272-F284 HydrophobicContact CG-CD2 4.36Å; Y272-F284 AromaticContact CG-CG 3.94Å; Y272-F284 HydrophobicContact CG-CG 3.94Å
273Q98.9Very high98.9Very high117 Ų11748.2 Ų48.255%0.54725%0.252SS..Hα-helixtrans-61.7-39-179.5-71.9169.821.300111.8R269 L270 L271 A277R269-Q273 WeakPolarHBondContact O-CB 3.46Å; R269-Q273 WeakPolarHBondContact O-CG 3.46Å; R269-Q273 PolarHBondContact O-N 3.18Å; L270-Q273 PolarHBondContact O-N 2.94Å; L271-Q273 PolarHBondContact O-N 2.98Å; Q273-A277 WeakPolarHBondContact O-CB 3.39Å; Q273-A277 PolarHBondContact O-N 3.1Å
274T98.9Very high98.9Very high35 Ų3550.8 Ų50.822%0.21526%0.263CS..Hα-helixtrans-66.2-48.5178.8-56.80000111.5L247 L270 L271 Y272 A277 H278L247-T274 HydrophobicContact CB-CG2 3.92Å; L247-T274 HydrophobicContact CD1-CG2 4.04Å; L270-T274 VanDerWaalsContact O-CB 3.3Å; L270-T274 WeakPolarHBondContact O-CB 3.31Å; L270-T274 PolarHBondContact O-N 3.04Å; L270-T274 PolarHBondContact O-OG1 3.25Å; L271-T274 PolarHBondContact O-N 2.7Å; Y272-T274 VanDerWaalsContact C-N 3.29Å; Y272-T274 PolarHBondContact O-N 2.95Å; T274-A277 PolarHBondContact O-N 3.4Å; T274-H278 PolarHBondContact O-N 2.87Å; T274-H278 PolarHBondContact O-ND1 3.41Å
275L98.9Very high98.9Very high0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-65.3-46.8179.8-66.9-177.5000111.6L247 V251 C254 I256 L271 Y272 A277 H278 Q279 Q280 C282L247-L275 HydrophobicContact CB-CD2 4.06Å; V251-L275 HydrophobicContact CB-CD2 4.04Å; V251-L275 HydrophobicContact CG1-CD1 4.41Å; V251-L275 HydrophobicContact CG1-CD2 3.83Å; V251-L275 HydrophobicContact CG2-CD2 3.88Å; C254-L275 HydrophobicContact CB-CD1 3.92Å; I256-L275 HydrophobicContact CD1-CD1 4.23Å; L271-L275 HydrophobicContact CD1-CD1 3.95Å; L271-L275 HydrophobicContact CD1-CG 4.08Å; L271-L275 HydrophobicContact CG-CD1 4.1Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 3.46Å; Y272-L275 PolarHBondContact O-N 3.37Å; L275-A277 VanDerWaalsContact C-N 3.33Å; L275-A277 PolarHBondContact O-N 2.82Å; L275-H278 CarbonylContact O-C 3.59Å; L275-H278 PolarHBondContact O-N 2.84Å; L275-H278 VanDerWaalsContact O-N 3.09Å; L275-Q279 PolarHBondContact O-N 3.38Å; L275-Q279 VanDerWaalsContact O-N 3.15Å; L275-Q280 HydrophobicContact CB-CB 3.98Å; L275-Q280 HydrophobicContact CD2-CB 3.89Å; L275-Q280 HydrophobicContact CD2-CG 4.08Å; L275-Q280 HydrophobicContact CG-CB 4.46Å; L275-Q280 PolarHBondContact O-N 3.22Å; L275-C282 HydrophobicContact CB-CB 4.18Å; L275-C282 HydrophobicContact CD1-CB 4.05Å
276A98.8Very high98.9Very high44 Ų4456 Ų5636%0.36429%0.289SS..Hα-helixtrans-61.9-39179.100000112.3Y272 H278 Q279Y272-A276 HydrophobicContact CE2-CB 4.28Å; Y272-A276 VanDerWaalsContact O-CB 3.23Å; Y272-A276 WeakPolarHBondContact O-CB 3.37Å; Y272-A276 PolarHBondContact O-N 3.2Å; A276-H278 PolarHBondContact O-N 2.84Å; A276-Q279 PolarHBondContact O-N 3.02Å
277A98.8Very high98.9Very high78 Ų7854.9 Ų54.965%0.64528%0.283SS*.Hα-helixtrans-63.6-24.8176.700000113.4Q273 T274 L275Q273-A277 WeakPolarHBondContact O-CB 3.39Å; Q273-A277 PolarHBondContact O-N 3.1Å; T274-A277 PolarHBondContact O-N 3.4Å; L275-A277 VanDerWaalsContact C-N 3.33Å; L275-A277 PolarHBondContact O-N 2.82Å
278H98.8Very high98.9Very high84 Ų8458.9 Ų58.939%0.38931%0.308SS..THydrogen-bonded Turntrans-108.319.8177.9-60.492.9000113T274 L275 A276 Q280T274-H278 PolarHBondContact O-N 2.87Å; T274-H278 PolarHBondContact O-ND1 3.41Å; L275-H278 CarbonylContact O-C 3.59Å; L275-H278 PolarHBondContact O-N 2.84Å; L275-H278 VanDerWaalsContact O-N 3.09Å; A276-H278 PolarHBondContact O-N 2.84Å; H278-Q280 HydrophobicContact CB-CG 4.37Å; H278-Q280 PolarHBondContact O-N 2.92Å; H278-Q280 PolarHBondContact O-NE2 3.35Å; H278-Q280 VanDerWaalsContact O-NE2 3.13Å
279Q98.8Very high98.8Very high183 Ų18359.1 Ų59.186%0.85531%0.311SS*.THydrogen-bonded Turntrans5426.4177.2-54.1179.5-50.600113.6L275 A276L275-Q279 PolarHBondContact O-N 3.38Å; L275-Q279 VanDerWaalsContact O-N 3.15Å; A276-Q279 PolarHBondContact O-N 3.02Å
280Q98.9Very high98.8Very high29 Ų2954.9 Ų54.914%0.13630%0.295CS..  trans-74.9143.2172-61.9-53.6-72.700109.4L247 T248 R249 E250 V251 L275 H278 C282L247-Q280 WeakPolarHBondContact O-CG 3.01Å; T248-Q280 PolarHBondContact O-NE2 3.27Å; T248-Q280 VanDerWaalsContact O-NE2 3.16Å; R249-Q280 VanDerWaalsContact C-OE1 3.24Å; E250-Q280 VanDerWaalsContact N-OE1 3.08Å; V251-Q280 HydrophobicContact CB-CB 4.31Å; V251-Q280 HydrophobicContact CB-CG 4.16Å; V251-Q280 HydrophobicContact CG2-CG 4.13Å; L275-Q280 HydrophobicContact CB-CB 3.98Å; L275-Q280 HydrophobicContact CD2-CB 3.89Å; L275-Q280 HydrophobicContact CD2-CG 4.08Å; L275-Q280 HydrophobicContact CG-CB 4.46Å; L275-Q280 PolarHBondContact O-N 3.22Å; H278-Q280 HydrophobicContact CB-CG 4.37Å; H278-Q280 PolarHBondContact O-N 2.92Å; H278-Q280 PolarHBondContact O-NE2 3.35Å; H278-Q280 VanDerWaalsContact O-NE2 3.13Å; Q280-C282 PolarHBondContact O-N 2.99Å; Q280-C282 VanDerWaalsContact O-N 3.16Å
281P98.7Very high98.8Very high58 Ų5852.7 Ų52.738%0.37728%0.283SS..  trans-66115.9-177.725.6-32.8000110.6P253 C254P253-P281 CarbonylContact C-O 3.41Å; P253-P281 VanDerWaalsContact CA-O 3.29Å; P253-P281 WeakPolarHBondContact CA-O 3.45Å; P253-P281 HydrophobicContact CB-CB 4.06Å; P253-P281 HydrophobicContact CB-CG 4.2Å; P253-P281 HydrophobicContact CG-CB 4Å; P253-P281 HydrophobicContact CG-CG 3.83Å; C254-P281 PolarHBondContact N-O 3.17Å
282C98.9Very high98.8Very high34 Ų3453.6 Ų53.623%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-153.6151.8176.864.10000112.7C254 I256 L275 Q280C254-C282 HydrophobicContact CB-CB 4.31Å; C254-C282 CarbonylContact O-C 3.51Å; C254-C282 WeakPolarHBondContact O-CA 3.49Å; I256-C282 HydrophobicContact CD1-CB 4.36Å; L275-C282 HydrophobicContact CB-CB 4.18Å; L275-C282 HydrophobicContact CD1-CB 4.05Å; Q280-C282 PolarHBondContact O-N 2.99Å; Q280-C282 VanDerWaalsContact O-N 3.16Å
283E98.9Very high98.8Very high89 Ų8950 Ų5042%0.41628%0.276SS..EExtended strand (participates in β ladder)trans-125.4135.6168.6-175.9176.5140.500108.9C254 F255 I256 F314C254-E283 PolarHBondContact O-N 3.15Å; F255-E283 HydrophobicContact CD2-CB 4.42Å; I256-E283 PolarHBondContact N-O 3.16Å; E283-F314 HydrophobicContact CB-CD2 3.89Å; E283-F314 HydrophobicContact CB-CE2 3.71Å
284F98.9Very high98.8Very high54 Ų5444.4 Ų44.424%0.23725%0.25CC..EExtended strand (participates in β ladder)trans-117.6131.1173.7174-94.9000110.5I256 L265 R269 Y272 L286I256-F284 HydrophobicContact CB-CD2 4.16Å; I256-F284 HydrophobicContact CG2-CD2 3.88Å; I256-F284 HydrophobicContact CG2-CE2 4.43Å; I256-F284 VanDerWaalsContact O-CA 3.32Å; I256-F284 WeakPolarHBondContact O-CA 3.18Å; I256-F284 WeakPolarHBondContact O-CD2 3.31Å; L265-F284 HydrophobicContact CD1-CZ 4.28Å; R269-F284 HydrophobicContact CG-CE2 4.39Å; R269-F284 HydrophobicContact CG-CZ 4.1Å; Y272-F284 HydrophobicContact CD1-CB 3.81Å; Y272-F284 HydrophobicContact CD1-CD1 4.46Å; Y272-F284 HydrophobicContact CD1-CG 4.1Å; Y272-F284 HydrophobicContact CD2-CB 3.34Å; Y272-F284 HydrophobicContact CD2-CG 4.38Å; Y272-F284 HydrophobicContact CE1-CB 4.17Å; Y272-F284 HydrophobicContact CE2-CB 3.74Å; Y272-F284 HydrophobicContact CG-CB 3.37Å; Y272-F284 HydrophobicContact CG-CD2 4.36Å; Y272-F284 AromaticContact CG-CG 3.94Å; Y272-F284 HydrophobicContact CG-CG 3.94Å; F284-L286 HydrophobicContact CE1-CB 4.14Å; F284-L286 HydrophobicContact CZ-CB 4.33Å
285K98.9Very high98.8Very high55 Ų5542.7 Ų42.724%0.23924%0.24CC..EExtended strand (participates in β ladder)trans-133.3124.4175-169.8165.8173.9-174.60110.4I256 A257 G258 Y287 E306 D310I256-K285 PolarHBondContact O-N 2.97Å; A257-K285 CarbonylContact C-O 3.35Å; A257-K285 WeakPolarHBondContact CA-O 3.18Å; G258-K285 PolarHBondContact N-O 2.92Å; K285-Y287 HydrophobicContact CB-CE2 4.18Å; K285-Y287 HydrophobicContact CD-CE1 4.28Å; K285-Y287 HydrophobicContact CD-CE2 4.49Å; K285-Y287 HydrophobicContact CG-CE2 4.1Å; K285-E306 IonicContact NZ-OE1 2.71Å; K285-E306 PolarHBondContact NZ-OE1 3.36Å; K285-D310 WeakPolarHBondContact CD-OD2 3.41Å; K285-D310 WeakPolarHBondContact CE-OD2 3.22Å; K285-D310 VanDerWaalsContact NZ-CG 3.3Å; K285-D310 IonicContact NZ-OD1 3.47Å; K285-D310 PolarHBondContact NZ-OD1 3.17Å; K285-D310 IonicContact NZ-OD2 3.56Å; K285-D310 PolarHBondContact NZ-OD2 3.42Å
286L98.9Very high98.8Very high59 Ų5942.9 Ų42.931%0.30924%0.24SC..EExtended strand (participates in β ladder)trans-89.8128.2171.4-175.664.3000109.2E260 L265 F284 P288E260-L286 HydrophobicContact CB-CD1 4.33Å; L265-L286 HydrophobicContact CD1-CD1 3.55Å; L265-L286 HydrophobicContact CD2-CD1 4.03Å; L265-L286 HydrophobicContact CG-CD1 4.47Å; F284-L286 HydrophobicContact CE1-CB 4.14Å; F284-L286 HydrophobicContact CZ-CB 4.33Å; L286-P288 WeakPolarHBondContact O-CD 3.09Å
287Y98.9Very high98.8Very high2 Ų242 Ų421%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-95.2111.1174.1-67.3-87.7000109.3F255 A257 G258 E260 K285 T290 F294 T303 E306 A307 D310F255-Y287 WeakPolarHBondContact CZ-OH 3.18Å; A257-Y287 HydrophobicContact CB-CD2 4.09Å; A257-Y287 HydrophobicContact CB-CE2 3.53Å; G258-Y287 PolarHBondContact O-N 2.93Å; E260-Y287 PolarHBondContact N-O 2.71Å; K285-Y287 HydrophobicContact CB-CE2 4.18Å; K285-Y287 HydrophobicContact CD-CE1 4.28Å; K285-Y287 HydrophobicContact CD-CE2 4.49Å; K285-Y287 HydrophobicContact CG-CE2 4.1Å; Y287-T290 PolarHBondContact O-OG1 2.94Å; Y287-F294 HydrophobicContact CD1-CE2 4.36Å; Y287-F294 HydrophobicContact CD1-CZ 4.22Å; Y287-F294 HydrophobicContact CD2-CE1 4.4Å; Y287-F294 AromaticContact CD2-CZ 3.7Å; Y287-F294 HydrophobicContact CD2-CZ 3.7Å; Y287-F294 HydrophobicContact CE2-CZ 4.44Å; Y287-F294 HydrophobicContact CG-CE1 4.43Å; Y287-F294 HydrophobicContact CG-CE2 4.11Å; Y287-F294 AromaticContact CG-CZ 3.58Å; Y287-F294 HydrophobicContact CG-CZ 3.58Å; Y287-T303 HydrophobicContact CD1-CG2 3.75Å; Y287-T303 HydrophobicContact CG-CG2 4.27Å; Y287-E306 HydrophobicContact CE1-CG 4.43Å; Y287-A307 HydrophobicContact CD1-CB 3.97Å; Y287-A307 HydrophobicContact CD2-CB 4.33Å; Y287-A307 HydrophobicContact CE1-CB 3.49Å; Y287-A307 VanDerWaalsContact CE1-CB 3.49Å; Y287-A307 HydrophobicContact CE2-CB 3.9Å; Y287-A307 HydrophobicContact CG-CB 4.37Å; Y287-A307 VanDerWaalsContact CZ-CA 3.48Å; Y287-A307 VanDerWaalsContact CZ-CB 3.45Å; Y287-A307 WeakPolarHBondContact OH-CA 3.44Å; Y287-D310 WeakPolarHBondContact CE1-OD2 3.29Å; Y287-D310 WeakPolarHBondContact OH-CB 3.37Å; Y287-D310 PolarHBondContact OH-OD2 3.27Å
288P98.6Very high98.8Very high83 Ų8338.9 Ų38.954%0.53920%0.201SC..EExtended strand (participates in β ladder)trans-73.7147.3-172.329.2-35000112.4E260 L286 T290E260-P288 WeakPolarHBondContact OE2-CA 3.33Å; E260-P288 WeakPolarHBondContact OE2-CB 3.49Å; L286-P288 WeakPolarHBondContact O-CD 3.09Å; P288-T290 PolarHBondContact O-N 2.78Å
289G98.5Very high98.7Very high5 Ų539.8 Ų39.85%0.05220%0.201CC..EExtended strand (participates in β ladder)trans6622.217500000114.5S14 M17 E260S14-G289 WeakPolarHBondContact CB-O 3.32Å; S14-G289 PolarHBondContact N-O 3.12Å; S14-G289 PolarHBondContact OG-O 3.01Å; M17-G289 VanDerWaalsContact CB-O 3.29Å; M17-G289 WeakPolarHBondContact CB-O 3.3Å; E260-G289 PolarHBondContact OE2-N 2.97Å
290T98.9Very high98.6Very high0 Ų034.1 Ų34.10%018%0.176CC..EExtended strand (participates in β ladder)trans-105.5145.517959.40000112.1M17 A259 E260 F261 Y287 P288 F294 M301 T303M17-T290 HydrophobicContact CE-CG2 4.38Å; A259-T290 WeakPolarHBondContact CA-OG1 3.45Å; A259-T290 WeakPolarHBondContact CB-OG1 3.45Å; E260-T290 PolarHBondContact N-OG1 2.84Å; F261-T290 PolarHBondContact N-O 3.39Å; Y287-T290 PolarHBondContact O-OG1 2.94Å; P288-T290 PolarHBondContact O-N 2.78Å; T290-F294 HydrophobicContact CG2-CB 4.22Å; T290-F294 HydrophobicContact CG2-CD1 4.22Å; T290-F294 HydrophobicContact CG2-CD2 3.88Å; T290-F294 HydrophobicContact CG2-CE2 4.29Å; T290-F294 HydrophobicContact CG2-CG 3.86Å; T290-M301 HydrophobicContact CG2-CE 4.17Å; T290-T303 HydrophobicContact CG2-CG2 3.71Å
291L98.8Very high98.6Very high9 Ų933 Ų335%0.04717%0.17CC..EExtended strand (participates in β ladder)trans-84.3169.5162.7-64.2177.7000110.4V9 I13 M17 V21 F261 F294V9-L291 HydrophobicContact CG1-CD2 3.36Å; I13-L291 HydrophobicContact CG2-CD2 3.75Å; I13-L291 HydrophobicContact CG2-CG 4.01Å; M17-L291 HydrophobicContact CE-CB 4.12Å; M17-L291 HydrophobicContact CG-CB 4.44Å; M17-L291 HydrophobicContact CG-CD1 4.16Å; M17-L291 HydrophobicContact CG-CG 3.88Å; M17-L291 HydrophobicContact SD-CB 4.08Å; M17-L291 HydrophobicContact SD-CD1 4.06Å; M17-L291 HydrophobicContact SD-CG 4.02Å; V21-L291 HydrophobicContact CG2-CD1 3.78Å; F261-L291 HydrophobicContact CB-CD2 4.23Å; L291-F294 WeakPolarHBondContact O-CB 3.4Å
292H98.8Very high98.6Very high18 Ų1839.1 Ų39.18%0.08319%0.191CC..THydrogen-bonded Turntrans-52.9154162.9-167.982.3000111.7S165 Y195 L216 D262 F294S165-H292 VanDerWaalsContact CB-NE2 3.26Å; S165-H292 WeakPolarHBondContact CB-NE2 3.39Å; S165-H292 PolarHBondContact OG-CE1 2.88Å; S165-H292 VanDerWaalsContact OG-CE1 3.23Å; S165-H292 PolarHBondContact OG-NE2 3.14Å; Y195-H292 AromaticContact CD2-CE1 3.39Å; Y195-H292 WeakPolarHBondContact CD2-CE1 3.29Å; Y195-H292 AromaticContact CD2-ND1 3.73Å; Y195-H292 AromaticContact CD2-NE2 3.9Å; Y195-H292 PolarHBondContact O-CE1 3.45Å; L216-H292 HydrophobicContact CD1-CB 3.56Å; L216-H292 VanDerWaalsContact CD1-CD2 3.49Å; L216-H292 WeakPolarHBondContact CD1-CD2 3.45Å; D262-H292 HydrophobicContact CB-CB 4.39Å; D262-H292 IonicContact OD1-CG 2.8Å; D262-H292 IonicContact OD1-ND1 3.5Å; D262-H292 PolarHBondContact OD1-ND1 2.75Å; D262-H292 IonicContact OD2-CE1 3.72Å; D262-H292 IonicContact OD2-CG 3.77Å; D262-H292 IonicContact OD2-ND1 3.1Å; D262-H292 PolarHBondContact OD2-ND1 2.88Å; H292-F294 PolarHBondContact O-N 2.9Å
293A98.5Very high98.6Very high13 Ų1339.1 Ų39.111%0.10719%0.19CC..THydrogen-bonded Turntrans65.314.5179.600000116L295 H296A293-L295 PolarHBondContact O-N 2.71Å; A293-H296 PolarHBondContact O-CD2 3.24Å; A293-H296 PolarHBondContact O-N 3.28Å
294F98.8Very high98.6Very high0 Ų034.9 Ų34.90%017%0.17CC..G310 helixtrans-61.3-20.9-17577.9-86.5000115M17 Y195 A259 Y287 T290 L291 H292 H296 Y297 T303 A304 A307M17-F294 HydrophobicContact CE-CB 3.39Å; Y195-F294 AromaticContact CD1-CD1 3.78Å; Y195-F294 HydrophobicContact CD1-CD1 3.78Å; Y195-F294 AromaticContact CD1-CE1 3.58Å; Y195-F294 HydrophobicContact CD1-CE1 3.58Å; Y195-F294 AromaticContact CE1-CD1 3.74Å; Y195-F294 HydrophobicContact CE1-CD1 3.74Å; Y195-F294 AromaticContact CE1-CE1 3.78Å; Y195-F294 HydrophobicContact CE1-CE1 3.78Å; A259-F294 HydrophobicContact CB-CD1 3.98Å; A259-F294 HydrophobicContact CB-CE1 4.04Å; Y287-F294 HydrophobicContact CD1-CE2 4.36Å; Y287-F294 HydrophobicContact CD1-CZ 4.22Å; Y287-F294 HydrophobicContact CD2-CE1 4.4Å; Y287-F294 AromaticContact CD2-CZ 3.7Å; Y287-F294 HydrophobicContact CD2-CZ 3.7Å; Y287-F294 HydrophobicContact CE2-CZ 4.44Å; Y287-F294 HydrophobicContact CG-CE1 4.43Å; Y287-F294 HydrophobicContact CG-CE2 4.11Å; Y287-F294 AromaticContact CG-CZ 3.58Å; Y287-F294 HydrophobicContact CG-CZ 3.58Å; T290-F294 HydrophobicContact CG2-CB 4.22Å; T290-F294 HydrophobicContact CG2-CD1 4.22Å; T290-F294 HydrophobicContact CG2-CD2 3.88Å; T290-F294 HydrophobicContact CG2-CE2 4.29Å; T290-F294 HydrophobicContact CG2-CG 3.86Å; L291-F294 WeakPolarHBondContact O-CB 3.4Å; H292-F294 PolarHBondContact O-N 2.9Å; F294-H296 PolarHBondContact O-N 2.87Å; F294-Y297 HydrophobicContact CB-CD2 4.26Å; F294-Y297 WeakPolarHBondContact O-CB 3.26Å; F294-Y297 WeakPolarHBondContact O-CD2 3.13Å; F294-Y297 PolarHBondContact O-N 3.41Å; F294-T303 HydrophobicContact CE2-CG2 4.36Å; F294-A304 HydrophobicContact CD2-CB 3.92Å; F294-A304 HydrophobicContact CE2-CB 4.43Å; F294-A304 WeakPolarHBondContact O-CB 3.46Å; F294-A307 HydrophobicContact CE2-CB 3.59Å; F294-A307 HydrophobicContact CZ-CB 3.67Å
295L98.8Very high98.6Very high0 Ų033.9 Ų33.90%017%0.167CC..G310 helixtrans-61.1-28.9-174.8-152.968.6000112.9I106 D164 W194 Y195 A293 Y297 A307 L308I106-L295 HydrophobicContact CD1-CB 4.2Å; I106-L295 HydrophobicContact CD1-CD2 4.21Å; I106-L295 HydrophobicContact CD1-CG 4.28Å; I106-L295 HydrophobicContact CG1-CD2 4.48Å; I106-L295 HydrophobicContact CG1-CG 4.38Å; I106-L295 HydrophobicContact CG2-CD2 4.09Å; D164-L295 HydrophobicContact CB-CD2 4.39Å; W194-L295 HydrophobicContact CB-CD2 4.12Å; W194-L295 HydrophobicContact CD2-CD1 4.45Å; W194-L295 HydrophobicContact CD2-CD2 3.65Å; W194-L295 HydrophobicContact CE3-CD2 3.92Å; W194-L295 HydrophobicContact CG-CD1 4.1Å; W194-L295 HydrophobicContact CG-CD2 3.72Å; Y195-L295 HydrophobicContact CE1-CB 3.88Å; Y195-L295 WeakPolarHBondContact OH-CB 3.47Å; A293-L295 PolarHBondContact O-N 2.71Å; L295-Y297 PolarHBondContact O-N 3.25Å; L295-A307 HydrophobicContact CD1-CB 3.72Å; L295-L308 HydrophobicContact CD1-CD2 3.82Å; L295-L308 HydrophobicContact CD1-CG 3.73Å; L295-L308 HydrophobicContact CD2-CD2 3.8Å; L295-L308 HydrophobicContact CG-CD2 3.69Å; L295-L308 HydrophobicContact CG-CG 3.97Å
296H98.8Very high98.5Very high4 Ų435.1 Ų35.12%0.01917%0.174CC..G310 helixtrans-63-21.8176-70.5-76.5000113.2W51 T102 H103 A293 F294 S298W51-H296 HydrophobicContact CB-CB 4.29Å; T102-H296 PolarHBondContact O-CE1 3.42Å; T102-H296 VanDerWaalsContact O-CE1 3.24Å; T102-H296 PolarHBondContact O-ND1 3.11Å; H103-H296 AromaticContact CD2-CE1 3.62Å; H103-H296 AromaticContact CE1-CE1 3.6Å; H103-H296 AromaticContact CE1-NE2 3.91Å; H103-H296 AromaticContact CG-CE1 3.9Å; H103-H296 AromaticContact ND1-CE1 3.88Å; H103-H296 AromaticContact NE2-CE1 3.43Å; H103-H296 PolarHBondContact NE2-CE1 2.9Å; H103-H296 AromaticContact NE2-NE2 3.56Å; A293-H296 PolarHBondContact O-CD2 3.24Å; A293-H296 PolarHBondContact O-N 3.28Å; F294-H296 PolarHBondContact O-N 2.87Å; H296-S298 VanDerWaalsContact C-N 3.34Å; H296-S298 PolarHBondContact O-N 3.21Å
297Y98.7Very high98.5Very high25 Ų2532.3 Ų32.310%0.09816%0.159CC..G310 helixtrans-93.618.4-166-47.2-44.1000113.9M17 V20 W51 F294 L295 R299 M300 M301M17-Y297 HydrophobicContact CE-CD2 4.19Å; M17-Y297 HydrophobicContact CE-CE2 4.36Å; M17-Y297 HydrophobicContact SD-CD2 4.47Å; M17-Y297 HydrophobicContact SD-CE2 4.41Å; V20-Y297 HydrophobicContact CB-CD2 4.37Å; V20-Y297 HydrophobicContact CB-CG 4.43Å; V20-Y297 HydrophobicContact CG1-CD1 3.75Å; V20-Y297 HydrophobicContact CG1-CD2 3.64Å; V20-Y297 HydrophobicContact CG1-CE1 3.8Å; V20-Y297 HydrophobicContact CG1-CE2 3.7Å; V20-Y297 HydrophobicContact CG1-CG 3.68Å; V20-Y297 HydrophobicContact CG2-CD2 4.18Å; V20-Y297 HydrophobicContact CG2-CG 3.96Å; W51-Y297 AromaticContact CD2-CD1 3.61Å; W51-Y297 HydrophobicContact CD2-CD1 3.61Å; W51-Y297 AromaticContact CD2-CE1 3.85Å; W51-Y297 HydrophobicContact CD2-CE1 3.85Å; W51-Y297 AromaticContact CE2-CD1 3.94Å; W51-Y297 AromaticContact CE2-CE1 3.76Å; W51-Y297 AromaticContact CE3-CD1 3.66Å; W51-Y297 HydrophobicContact CE3-CD1 3.66Å; W51-Y297 HydrophobicContact CE3-CE1 4.33Å; W51-Y297 HydrophobicContact CG-CD1 4.07Å; W51-Y297 HydrophobicContact CG-CE1 4.11Å; W51-Y297 HydrophobicContact CH2-CD1 4.35Å; W51-Y297 HydrophobicContact CZ2-CD1 4.32Å; W51-Y297 HydrophobicContact CZ2-CE1 4.21Å; W51-Y297 HydrophobicContact CZ3-CD1 4.02Å; W51-Y297 AromaticContact NE1-CE1 3.9Å; F294-Y297 HydrophobicContact CB-CD2 4.26Å; F294-Y297 WeakPolarHBondContact O-CB 3.26Å; F294-Y297 WeakPolarHBondContact O-CD2 3.13Å; F294-Y297 PolarHBondContact O-N 3.41Å; L295-Y297 PolarHBondContact O-N 3.25Å; Y297-R299 PolarHBondContact O-N 3.1Å; Y297-M300 CarbonylContact O-C 3.6Å; Y297-M300 PolarHBondContact O-N 3.24Å; Y297-M301 HydrophobicContact CD2-SD 4.08Å; Y297-M301 PolarHBondContact O-N 2.81Å
298S98.3Very high98.5Very high12 Ų1232.2 Ų32.28%0.08416%0.159CC..THydrogen-bonded Turntrans-56.1-24.1-176.465.80000114.7R105 L109 H296 M300R105-S298 PolarHBondContact NE-OG 3.03Å; L109-S298 WeakPolarHBondContact CD1-OG 3.1Å; H296-S298 VanDerWaalsContact C-N 3.34Å; H296-S298 PolarHBondContact O-N 3.21Å; S298-M300 VanDerWaalsContact C-N 3.28Å; S298-M300 PolarHBondContact O-N 2.94Å
299R96.7Very high98.6Very high103 Ų10333.9 Ų33.939%0.38915%0.154SC..THydrogen-bonded Turntrans-70.6-18.6173.565.1178.1-61.3-81.6-1114.5W51 Y297W51-R299 HydrophobicContact CE3-CG 4.42Å; Y297-R299 PolarHBondContact O-N 3.1Å
300M97.9Very high98.6Very high65 Ų6535.1 Ų35.132%0.3216%0.16SC..THydrogen-bonded Turntrans-124.6-20.6-179.1-74.7179.761.600113.5T19 V20 T23 F50 W51 Y297 S298T19-M300 HydrophobicContact CG2-CE 3.52Å; V20-M300 HydrophobicContact CG2-CB 4.29Å; T23-M300 WeakPolarHBondContact OG1-CE 3.4Å; F50-M300 HydrophobicContact CE1-SD 4.33Å; W51-M300 HydrophobicContact CH2-SD 4.08Å; W51-M300 HydrophobicContact CZ3-CG 4.46Å; W51-M300 HydrophobicContact CZ3-SD 3.59Å; W51-M300 VanDerWaalsContact CZ3-SD 3.59Å; Y297-M300 CarbonylContact O-C 3.6Å; Y297-M300 PolarHBondContact O-N 3.24Å; S298-M300 VanDerWaalsContact C-N 3.28Å; S298-M300 PolarHBondContact O-N 2.94Å
301M98.4Very high98.6Very high4 Ų435.1 Ų35.12%0.0216%0.16CC..  trans-120.3113.4-177.7-68.4-171.464.700111M17 V20 T290 Y297 T303 A304 D305M17-M301 HydrophobicContact CB-CE 3.91Å; M17-M301 HydrophobicContact CB-SD 4.28Å; M17-M301 HydrophobicContact CE-CE 3.64Å; M17-M301 HydrophobicContact CE-SD 3.56Å; M17-M301 VanDerWaalsContact CE-SD 3.56Å; M17-M301 HydrophobicContact SD-CE 4.49Å; M17-M301 HydrophobicContact SD-SD 4.02Å; V20-M301 HydrophobicContact CB-SD 4.44Å; V20-M301 HydrophobicContact CG2-CG 3.65Å; V20-M301 HydrophobicContact CG2-SD 3.64Å; T290-M301 HydrophobicContact CG2-CE 4.17Å; Y297-M301 HydrophobicContact CD2-SD 4.08Å; Y297-M301 PolarHBondContact O-N 2.81Å; M301-T303 PolarHBondContact O-N 3.39Å; M301-A304 HydrophobicContact CB-CB 4.01Å; M301-A304 WeakPolarHBondContact O-CB 3.5Å; M301-A304 PolarHBondContact O-N 2.86Å; M301-A304 VanDerWaalsContact O-N 3.08Å; M301-D305 PolarHBondContact O-N 3.44Å
302K98.2Very high98.6Very high188 Ų18834.8 Ų34.882%0.81716%0.158SC*.Hα-helixtrans-57.8-35.1171.7-67.7-177.1-179.4-179.90112.2A304 D305 E306K302-A304 VanDerWaalsContact C-N 3.27Å; K302-A304 PolarHBondContact O-N 3.48Å; K302-D305 WeakPolarHBondContact O-CB 3.32Å; K302-D305 PolarHBondContact O-N 3.13Å; K302-E306 WeakPolarHBondContact O-CB 3.31Å; K302-E306 PolarHBondContact O-N 3.15Å
303T98.6Very high98.6Very high34 Ų3440.4 Ų40.421%0.20919%0.185CC..Hα-helixtrans-60.5-35.4176.4-48.60000112.6Y287 T290 F294 M301 A307Y287-T303 HydrophobicContact CD1-CG2 3.75Å; Y287-T303 HydrophobicContact CG-CG2 4.27Å; T290-T303 HydrophobicContact CG2-CG2 3.71Å; F294-T303 HydrophobicContact CE2-CG2 4.36Å; M301-T303 PolarHBondContact O-N 3.39Å; T303-A307 WeakPolarHBondContact O-CB 3.44Å; T303-A307 PolarHBondContact O-N 3.37Å
304A98.8Very high98.6Very high0 Ų040.6 Ų40.60%018%0.183CC..Hα-helixtrans-71.2-40175.400000111.8F294 M301 K302 A307 L308F294-A304 HydrophobicContact CD2-CB 3.92Å; F294-A304 HydrophobicContact CE2-CB 4.43Å; F294-A304 WeakPolarHBondContact O-CB 3.46Å; M301-A304 HydrophobicContact CB-CB 4.01Å; M301-A304 WeakPolarHBondContact O-CB 3.5Å; M301-A304 PolarHBondContact O-N 2.86Å; M301-A304 VanDerWaalsContact O-N 3.08Å; K302-A304 VanDerWaalsContact C-N 3.27Å; K302-A304 PolarHBondContact O-N 3.48Å; A304-A307 PolarHBondContact O-N 2.93Å; A304-L308 WeakPolarHBondContact O-CG 3.37Å; A304-L308 PolarHBondContact O-N 3.47Å
305D98.8Very high98.6Very high32 Ų3240.6 Ų40.617%0.17118%0.183CC..Hα-helixtrans-64.5-42.5173.4-160.169.1000112.1Y113 M301 K302 A307 L308 R309Y113-D305 PolarHBondContact OH-OD1 2.95Å; Y113-D305 PolarHBondContact OH-OD2 3.27Å; M301-D305 PolarHBondContact O-N 3.44Å; K302-D305 WeakPolarHBondContact O-CB 3.32Å; K302-D305 PolarHBondContact O-N 3.13Å; D305-A307 PolarHBondContact O-N 2.99Å; D305-L308 PolarHBondContact O-N 3.45Å; D305-R309 WeakPolarHBondContact O-CG 3.4Å; D305-R309 PolarHBondContact O-N 2.79Å; D305-R309 IonicContact OD2-CZ 3.03Å; D305-R309 IonicContact OD2-NE 3.37Å; D305-R309 PolarHBondContact OD2-NE 3.33Å; D305-R309 IonicContact OD2-NH2 3.58Å; D305-R309 PolarHBondContact OD2-NH2 2.87Å
306E98.8Very high98.6Very high82 Ų8243 Ų4338%0.38320%0.198SC..Hα-helixtrans-58.5-46.8174.9-173.4-174.8157.900110.8K285 Y287 K302 L308 R309 D310K285-E306 IonicContact NZ-OE1 2.71Å; K285-E306 PolarHBondContact NZ-OE1 3.36Å; Y287-E306 HydrophobicContact CE1-CG 4.43Å; K302-E306 WeakPolarHBondContact O-CB 3.31Å; K302-E306 PolarHBondContact O-N 3.15Å; E306-L308 VanDerWaalsContact C-N 3.28Å; E306-L308 PolarHBondContact O-N 3Å; E306-R309 PolarHBondContact O-N 3.32Å; E306-R309 VanDerWaalsContact O-N 3.07Å; E306-D310 PolarHBondContact O-N 3.41Å
307A98.9Very high98.6Very high0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-61.1-34.4178.500000114.1W194 Y287 F294 L295 T303 A304 D305 G311W194-A307 PolarHBondContact NE1-O 3.2Å; Y287-A307 HydrophobicContact CD1-CB 3.97Å; Y287-A307 HydrophobicContact CD2-CB 4.33Å; Y287-A307 HydrophobicContact CE1-CB 3.49Å; Y287-A307 VanDerWaalsContact CE1-CB 3.49Å; Y287-A307 HydrophobicContact CE2-CB 3.9Å; Y287-A307 HydrophobicContact CG-CB 4.37Å; Y287-A307 VanDerWaalsContact CZ-CA 3.48Å; Y287-A307 VanDerWaalsContact CZ-CB 3.45Å; Y287-A307 WeakPolarHBondContact OH-CA 3.44Å; F294-A307 HydrophobicContact CE2-CB 3.59Å; F294-A307 HydrophobicContact CZ-CB 3.67Å; L295-A307 HydrophobicContact CD1-CB 3.72Å; T303-A307 WeakPolarHBondContact O-CB 3.44Å; T303-A307 PolarHBondContact O-N 3.37Å; A304-A307 PolarHBondContact O-N 2.93Å; D305-A307 PolarHBondContact O-N 2.99Å; A307-G311 PolarHBondContact O-N 3.48Å
308L98.9Very high98.6Very high0 Ų048.1 Ų48.10%024%0.235CC..Hα-helixtrans-69.3-43172.9-70.2166.6000111.5I106 L109 L110 Y113 L295 A304 D305 E306 A312I106-L308 HydrophobicContact CG2-CD2 3.76Å; L109-L308 HydrophobicContact CB-CD1 4.06Å; L109-L308 HydrophobicContact CD1-CD1 3.62Å; L110-L308 HydrophobicContact CD1-CD2 4.45Å; L110-L308 HydrophobicContact CD2-CD2 4.08Å; L110-L308 HydrophobicContact CG-CD2 3.96Å; Y113-L308 HydrophobicContact CD2-CB 4.1Å; Y113-L308 HydrophobicContact CE2-CB 4.03Å; L295-L308 HydrophobicContact CD1-CD2 3.82Å; L295-L308 HydrophobicContact CD1-CG 3.73Å; L295-L308 HydrophobicContact CD2-CD2 3.8Å; L295-L308 HydrophobicContact CG-CD2 3.69Å; L295-L308 HydrophobicContact CG-CG 3.97Å; A304-L308 WeakPolarHBondContact O-CG 3.37Å; A304-L308 PolarHBondContact O-N 3.47Å; D305-L308 PolarHBondContact O-N 3.45Å; E306-L308 VanDerWaalsContact C-N 3.28Å; E306-L308 PolarHBondContact O-N 3Å; L308-A312 WeakPolarHBondContact O-CB 3.29Å; L308-A312 PolarHBondContact O-N 3.36Å
309R98.9Very high98.5Very high118 Ų11851 Ų5145%0.44525%0.249SC..Hα-helixtrans-65.7-42.9179.1-71.2173.7-172.8-79.9-3.6112.4Y113 D305 E306 A312 Q313Y113-R309 HydrophobicContact CD1-CG 4.39Å; Y113-R309 HydrophobicContact CD2-CB 4.48Å; Y113-R309 HydrophobicContact CD2-CG 3.65Å; Y113-R309 HydrophobicContact CE1-CG 4.41Å; Y113-R309 VanDerWaalsContact CE1-CZ 3.48Å; Y113-R309 HydrophobicContact CE2-CG 3.63Å; Y113-R309 HydrophobicContact CG-CG 4.05Å; Y113-R309 PolarHBondContact OH-NH2 3.32Å; Y113-R309 VanDerWaalsContact OH-NH2 3.08Å; D305-R309 WeakPolarHBondContact O-CG 3.4Å; D305-R309 PolarHBondContact O-N 2.79Å; D305-R309 IonicContact OD2-CZ 3.03Å; D305-R309 IonicContact OD2-NE 3.37Å; D305-R309 PolarHBondContact OD2-NE 3.33Å; D305-R309 IonicContact OD2-NH2 3.58Å; D305-R309 PolarHBondContact OD2-NH2 2.87Å; E306-R309 PolarHBondContact O-N 3.32Å; E306-R309 VanDerWaalsContact O-N 3.07Å; R309-A312 PolarHBondContact O-N 3.47Å; R309-Q313 VanDerWaalsContact O-CB 3.28Å; R309-Q313 WeakPolarHBondContact O-CB 3.35Å; R309-Q313 PolarHBondContact O-N 3.39Å
310D98.9Very high98.6Very high31 Ų3148.4 Ų48.417%0.16624%0.242CC..Hα-helixtrans-61.4-47.7179.3-64.5-34.6000110.8F255 K285 Y287 E306 A312 Q313 F314F255-D310 HydrophobicContact CE2-CB 3.92Å; F255-D310 HydrophobicContact CZ-CB 3.62Å; K285-D310 WeakPolarHBondContact CD-OD2 3.41Å; K285-D310 WeakPolarHBondContact CE-OD2 3.22Å; K285-D310 VanDerWaalsContact NZ-CG 3.3Å; K285-D310 IonicContact NZ-OD1 3.47Å; K285-D310 PolarHBondContact NZ-OD1 3.17Å; K285-D310 IonicContact NZ-OD2 3.56Å; K285-D310 PolarHBondContact NZ-OD2 3.42Å; Y287-D310 WeakPolarHBondContact CE1-OD2 3.29Å; Y287-D310 WeakPolarHBondContact OH-CB 3.37Å; Y287-D310 PolarHBondContact OH-OD2 3.27Å; E306-D310 PolarHBondContact O-N 3.41Å; D310-A312 PolarHBondContact O-N 3.36Å; D310-Q313 PolarHBondContact O-N 3.16Å; D310-F314 WeakPolarHBondContact O-CB 3.44Å; D310-F314 PolarHBondContact O-N 2.99Å
311G98.9Very high98.6Very high0 Ų047.5 Ų47.50%024%0.238CC..Hα-helixtrans-63.3-41.5176.500000112.6L192 A307 F314 F315L192-G311 WeakPolarHBondContact CD1-O 3.25Å; L192-G311 VanDerWaalsContact CD2-O 3.26Å; L192-G311 WeakPolarHBondContact CD2-O 3.11Å; A307-G311 PolarHBondContact O-N 3.48Å; G311-F314 PolarHBondContact O-N 3.49Å; G311-F315 PolarHBondContact O-N 2.95Å
312A98.9Very high98.7Very high1 Ų149.9 Ų49.91%0.00825%0.25CC..Hα-helixtrans-64-40.6175.400000112.5L110 L308 R309 D310 F315 T316L110-A312 HydrophobicContact CD2-CB 4.39Å; L308-A312 WeakPolarHBondContact O-CB 3.29Å; L308-A312 PolarHBondContact O-N 3.36Å; R309-A312 PolarHBondContact O-N 3.47Å; D310-A312 PolarHBondContact O-N 3.36Å; A312-F315 PolarHBondContact O-N 3.37Å; A312-T316 WeakPolarHBondContact O-CG2 3.47Å; A312-T316 PolarHBondContact O-N 3.46Å; A312-T316 PolarHBondContact O-OG1 3.43Å
313Q98.9Very high98.7Very high137 Ų13741.8 Ų41.864%0.6422%0.216SC*.Hα-helixtrans-66.5-43.3175.6-178.6178.3-36.700111R309 D310 F315 T316 A317R309-Q313 VanDerWaalsContact O-CB 3.28Å; R309-Q313 WeakPolarHBondContact O-CB 3.35Å; R309-Q313 PolarHBondContact O-N 3.39Å; D310-Q313 PolarHBondContact O-N 3.16Å; Q313-F315 VanDerWaalsContact C-N 3.33Å; Q313-F315 PolarHBondContact O-N 3.09Å; Q313-T316 WeakPolarHBondContact CA-OG1 3.35Å; Q313-T316 PolarHBondContact O-N 3.25Å; Q313-T316 PolarHBondContact O-OG1 3.2Å; Q313-T316 VanDerWaalsContact O-OG1 3.04Å; Q313-A317 WeakPolarHBondContact O-CB 3.42Å; Q313-A317 PolarHBondContact O-N 2.79Å
314F98.9Very high98.7Very high17 Ų1742.3 Ų42.38%0.07522%0.217CC..Hα-helixtrans-56.5-48.8174.6178-84.8000110.8L192 P253 F255 E283 D310 G311 A317 Q318L192-F314 HydrophobicContact CD2-CD1 3.89Å; P253-F314 HydrophobicContact CB-CE1 3.86Å; P253-F314 HydrophobicContact CB-CZ 3.71Å; F255-F314 HydrophobicContact CB-CB 4.11Å; F255-F314 HydrophobicContact CB-CD1 3.6Å; F255-F314 HydrophobicContact CB-CD2 4.08Å; F255-F314 HydrophobicContact CB-CE1 3.97Å; F255-F314 HydrophobicContact CB-CE2 4.4Å; F255-F314 HydrophobicContact CB-CG 3.66Å; F255-F314 HydrophobicContact CB-CZ 4.35Å; F255-F314 HydrophobicContact CD2-CB 3.93Å; F255-F314 HydrophobicContact CD2-CD2 4.12Å; F255-F314 HydrophobicContact CD2-CG 4.07Å; F255-F314 HydrophobicContact CG-CB 4.2Å; F255-F314 HydrophobicContact CG-CG 4.22Å; E283-F314 HydrophobicContact CB-CD2 3.89Å; E283-F314 HydrophobicContact CB-CE2 3.71Å; D310-F314 WeakPolarHBondContact O-CB 3.44Å; D310-F314 PolarHBondContact O-N 2.99Å; G311-F314 PolarHBondContact O-N 3.49Å; F314-A317 PolarHBondContact O-N 3.4Å; F314-Q318 HydrophobicContact CE1-CG 4.26Å; F314-Q318 WeakPolarHBondContact O-CG 3.14Å; F314-Q318 PolarHBondContact O-NE2 3.25Å
315F98.9Very high98.7Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-61.1-49.3-179.4-175.6-116.2000112.1A85 L87 C116 A189 L192 G311 A312 Q313 A317 Q318 L319A85-F315 HydrophobicContact CB-CE1 3.99Å; A85-F315 HydrophobicContact CB-CZ 3.91Å; L87-F315 HydrophobicContact CB-CE1 4.22Å; L87-F315 HydrophobicContact CB-CZ 4.4Å; L87-F315 HydrophobicContact CD1-CD2 4.37Å; L87-F315 HydrophobicContact CD1-CE1 4.47Å; L87-F315 HydrophobicContact CD1-CE2 4.18Å; L87-F315 HydrophobicContact CD1-CZ 4.22Å; C116-F315 HydrophobicContact CB-CE1 4.28Å; A189-F315 HydrophobicContact CB-CE2 4.13Å; L192-F315 HydrophobicContact CD1-CB 4.2Å; L192-F315 HydrophobicContact CD2-CB 4.18Å; G311-F315 PolarHBondContact O-N 2.95Å; A312-F315 PolarHBondContact O-N 3.37Å; Q313-F315 VanDerWaalsContact C-N 3.33Å; Q313-F315 PolarHBondContact O-N 3.09Å; F315-A317 VanDerWaalsContact C-N 3.26Å; F315-A317 PolarHBondContact O-N 3.32Å; F315-Q318 WeakPolarHBondContact O-CB 3.44Å; F315-Q318 PolarHBondContact O-N 3.04Å; F315-L319 HydrophobicContact CE1-CD1 4.31Å; F315-L319 HydrophobicContact CE1-CD2 4.31Å; F315-L319 HydrophobicContact CZ-CD2 4.16Å
316T98.7Very high98.7Very high50 Ų5046 Ų4631%0.30724%0.236SC..Hα-helixtrans-64.8-28.8-179.348.70000113.2S114 A312 Q313 Q318 L319S114-T316 WeakPolarHBondContact O-CG2 3.26Å; A312-T316 WeakPolarHBondContact O-CG2 3.47Å; A312-T316 PolarHBondContact O-N 3.46Å; A312-T316 PolarHBondContact O-OG1 3.43Å; Q313-T316 WeakPolarHBondContact CA-OG1 3.35Å; Q313-T316 PolarHBondContact O-N 3.25Å; Q313-T316 PolarHBondContact O-OG1 3.2Å; Q313-T316 VanDerWaalsContact O-OG1 3.04Å; T316-Q318 PolarHBondContact O-N 2.88Å; T316-L319 PolarHBondContact O-N 3.17Å
317A98.7Very high98.7Very high73 Ų7343.2 Ų43.260%0.60322%0.224SC*.THydrogen-bonded Turntrans-69-14.9173.200000114Q313 F314 F315Q313-A317 WeakPolarHBondContact O-CB 3.42Å; Q313-A317 PolarHBondContact O-N 2.79Å; F314-A317 PolarHBondContact O-N 3.4Å; F315-A317 VanDerWaalsContact C-N 3.26Å; F315-A317 PolarHBondContact O-N 3.32Å
318Q98.4Very high98.6Very high64 Ų6446.8 Ų46.830%0.29924%0.243SC..THydrogen-bonded Turntrans-93.3-7.8176.6-48-50-51.500113.7A189 P253 F314 F315 T316A189-Q318 HydrophobicContact CB-CB 4.16Å; A189-Q318 WeakPolarHBondContact O-CB 3.47Å; A189-Q318 VanDerWaalsContact O-CG 3.24Å; A189-Q318 WeakPolarHBondContact O-CG 3.35Å; P253-Q318 HydrophobicContact CB-CG 4.03Å; P253-Q318 HydrophobicContact CG-CG 4.28Å; F314-Q318 HydrophobicContact CE1-CG 4.26Å; F314-Q318 WeakPolarHBondContact O-CG 3.14Å; F314-Q318 PolarHBondContact O-NE2 3.25Å; F315-Q318 WeakPolarHBondContact O-CB 3.44Å; F315-Q318 PolarHBondContact O-N 3.04Å; T316-Q318 PolarHBondContact O-N 2.88Å
319L97Very high98.6Very high71 Ų7151.1 Ų51.137%0.37227%0.265SS..  trans-82.30-177.3-57-173.8000110.7P84 A85 R158 A189 F315 T316P84-L319 HydrophobicContact CB-CD1 4Å; P84-L319 HydrophobicContact CG-CD1 3.66Å; A85-L319 HydrophobicContact CB-CD1 3.88Å; A85-L319 HydrophobicContact CB-CD2 3.62Å; A85-L319 HydrophobicContact CB-CG 4.43Å; R158-L319 HydrophobicContact CB-CD2 4.14Å; R158-L319 VanDerWaalsContact NH1-C 3.32Å; R158-L319 PolarHBondContact NH1-O 3.16Å; A189-L319 HydrophobicContact CB-CD2 3.75Å; F315-L319 HydrophobicContact CE1-CD1 4.31Å; F315-L319 HydrophobicContact CE1-CD2 4.31Å; F315-L319 HydrophobicContact CZ-CD2 4.16Å; T316-L319 PolarHBondContact O-N 3.17Å

Retrieved 319 of 319 residues in 896.3 ms (Link to these results)

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