G4VJ35_SCHMA Loading...

Putative 60s ribosomal protein L4

AlphaFold DB , UniProt , Accession G4VJ35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 375 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
1M39.3Very low75.9Confident166 Ų16676.4 Ų76.482%0.81842%0.423SS*.  040-143.9163.8178.800113.1T285M1-T285 PolarHBondContact N-O 3.45Å
2A39.3Very low77.4Confident93 Ų9370.3 Ų70.377%0.76939%0.391SS*.  trans-116.921.8-163.100000116.4
3V56.1Low78.6Confident118 Ų11868.2 Ų68.272%0.71538%0.381SS*.SBendtrans-102.2-17.1-175.5-172.80000113.3
4T65.6Low79.5Confident47 Ų4771.9 Ų71.929%0.28840%0.399SS..SBendtrans-97.3127.3-178.455.50000111F28 T29T4-F28 HydrophobicContact CG2-CB 4.17Å; T4-F28 WeakPolarHBondContact CG2-O 3.36Å; T4-T29 HydrophobicContact CG2-CG2 3.8Å
5R74.6Confident80.2Confident145 Ų14568.3 Ų68.355%0.54739%0.386SS..  trans-55.1137.9166.4-65.4179.5178.1-176.4-3.6109.3I7 M24 E149R5-I7 VanDerWaalsContact C-N 3.28Å; R5-I7 WeakPolarHBondContact CB-O 3.47Å; R5-I7 PolarHBondContact O-N 3.04Å; R5-M24 HydrophobicContact CB-CE 4.32Å; R5-M24 WeakPolarHBondContact O-CB 3.48Å; R5-E149 WeakPolarHBondContact CD-OE1 3.37Å; R5-E149 IonicContact CZ-OE1 3.41Å; R5-E149 IonicContact NE-OE1 3.5Å; R5-E149 IonicContact NH1-OE1 2.67Å; R5-E149 PolarHBondContact NH1-OE1 2.86Å
6P85.7Confident80.9Confident102 Ų10267.2 Ų67.266%0.66239%0.387SS*.SBendtrans-68.9-30-178.826.1-32.9000112.3M24P6-M24 PolarHBondContact O-N 3.01Å
7I92.6Very high81.5Confident88 Ų8866.9 Ų66.945%0.45139%0.39SS..EExtended strand (participates in β ladder)trans-129.6154.7-179.356.4174.4000110.5R5 T21 I22R5-I7 VanDerWaalsContact C-N 3.28Å; R5-I7 WeakPolarHBondContact CB-O 3.47Å; R5-I7 PolarHBondContact O-N 3.04Å; I7-T21 HydrophobicContact CD1-CG2 4.49Å; I7-I22 CarbonylContact C-O 3.54Å; I7-I22 WeakPolarHBondContact CA-O 3.37Å
8V94Very high82.1Confident0 Ų066.9 Ų66.90%039%0.392CS..EExtended strand (participates in β ladder)trans-128.6136.9176.7-178.70000108.7T21 I22 M24 P151 V153 F257V8-T21 CarbonylContact O-C 3.56Å; V8-T21 WeakPolarHBondContact O-CA 3.48Å; V8-I22 PolarHBondContact N-O 3.23Å; V8-I22 PolarHBondContact O-N 3.38Å; V8-M24 HydrophobicContact CG2-CB 4.49Å; V8-M24 HydrophobicContact CG2-CE 3.18Å; V8-M24 HydrophobicContact CG2-SD 3.73Å; V8-P151 WeakPolarHBondContact CG1-O 3.5Å; V8-V153 HydrophobicContact CG1-CB 4.42Å; V8-V153 HydrophobicContact CG1-CG2 3.76Å; V8-F257 HydrophobicContact CB-CE1 4.29Å; V8-F257 HydrophobicContact CG2-CE1 4.16Å; V8-F257 HydrophobicContact CG2-CZ 4.06Å
9N95.4Very high82.5Confident54 Ų5466.7 Ų66.729%0.28941%0.405SS..EExtended strand (participates in β ladder)trans-79.4144.1177.4-64.4-32.1000111.3Y11 T21 E149N9-Y11 HydrophobicContact CB-CE2 4.07Å; N9-T21 WeakPolarHBondContact OD1-CG2 2.92Å; N9-E149 PolarHBondContact N-OE2 3.37Å
10V96.3Very high83Confident2 Ų265.9 Ų65.91%0.01240%0.402CS..EExtended strand (participates in β ladder)trans-98.9125.3173.4-177.10000109.6T18 S20 I22 V153 D254V10-T18 PolarHBondContact O-N 3.16Å; V10-T18 PolarHBondContact O-OG1 3Å; V10-S20 WeakPolarHBondContact CB-OG 3.46Å; V10-S20 PolarHBondContact N-O 2.88Å; V10-I22 HydrophobicContact CG2-CD1 3.63Å; V10-I22 HydrophobicContact CG2-CG1 3.59Å; V10-V153 HydrophobicContact CG2-CG1 4.22Å; V10-D254 HydrophobicContact CG1-CB 4.22Å
11Y96.2Very high83.5Confident25 Ų2566 Ų6610%0.09840%0.403CS..EExtended strand (participates in β ladder)trans-97.1141.4178.6-63.6-93.3000111.3N9 A16 P148 E149 L152 V153 L154 S155N9-Y11 HydrophobicContact CB-CE2 4.07Å; Y11-A16 CarbonylContact C-O 3.52Å; Y11-A16 VanDerWaalsContact CA-O 3.32Å; Y11-A16 WeakPolarHBondContact CA-O 3.46Å; Y11-P148 HydrophobicContact CD1-CG 4.1Å; Y11-P148 HydrophobicContact CE1-CB 3.71Å; Y11-P148 HydrophobicContact CE1-CG 3.66Å; Y11-P148 HydrophobicContact CE2-CG 4.12Å; Y11-E149 HydrophobicContact CE2-CB 4.15Å; Y11-L152 HydrophobicContact CD2-CD1 3.99Å; Y11-L152 HydrophobicContact CE2-CD1 4.34Å; Y11-V153 PolarHBondContact N-O 3.45Å; Y11-L154 CarbonylContact O-C 3.54Å; Y11-L154 VanDerWaalsContact O-CA 3.26Å; Y11-L154 WeakPolarHBondContact O-CA 2.95Å; Y11-S155 PolarHBondContact O-N 3.13Å
12G94Very high86.2Confident4 Ų458.4 Ų58.44%0.04137%0.365CS..PPolyproline II helixtrans-73.9172.917500000112.3N14 G15 A16G12-N14 PolarHBondContact O-N 2.95Å; G12-G15 PolarHBondContact O-N 2.91Å; G12-A16 PolarHBondContact N-O 3.35Å
13V92.6Very high88.7Confident43 Ų4361.6 Ų61.626%0.26136%0.362SS..THydrogen-bonded Turntrans-59.7-27.7174177.80000111.5G15 E157 V158 V170V13-G15 VanDerWaalsContact C-N 3.3Å; V13-G15 PolarHBondContact O-N 3.2Å; V13-E157 HydrophobicContact CG2-CB 3.73Å; V13-E157 WeakPolarHBondContact CG2-OE2 3.48Å; V13-V158 HydrophobicContact CG2-CG2 4.07Å; V13-V170 HydrophobicContact CB-CG2 4.25Å; V13-V170 HydrophobicContact CG1-CG2 3.32Å
14N92Very high90.6Very high119 Ų11957 Ų5764%0.63633%0.333SS*.THydrogen-bonded Turntrans-79.1-3.9175.165.6-7.9000114.3G12 A16 A173G12-N14 PolarHBondContact O-N 2.95Å; N14-A16 VanDerWaalsContact C-N 3.29Å; N14-A16 PolarHBondContact O-N 3.42Å; N14-A16 PolarHBondContact OD1-N 3.41Å; N14-A16 VanDerWaalsContact OD1-N 3.1Å; N14-A173 WeakPolarHBondContact O-CB 3.4Å
15G89.2Confident91.9Very high19 Ų1954.8 Ų54.820%0.19632%0.32CS..SBendtrans81.3-2.1-179.200000115.3G12 V13G12-G15 PolarHBondContact O-N 2.91Å; V13-G15 VanDerWaalsContact C-N 3.3Å; V13-G15 PolarHBondContact O-N 3.2Å
16A92Very high92.8Very high50 Ų5048.7 Ų48.741%0.41330%0.3SS..SBendtrans-82.3155.7173.200000111Y11 G12 N14Y11-A16 CarbonylContact C-O 3.52Å; Y11-A16 VanDerWaalsContact CA-O 3.32Å; Y11-A16 WeakPolarHBondContact CA-O 3.46Å; G12-A16 PolarHBondContact N-O 3.35Å; N14-A16 VanDerWaalsContact C-N 3.29Å; N14-A16 PolarHBondContact O-N 3.42Å; N14-A16 PolarHBondContact OD1-N 3.41Å; N14-A16 VanDerWaalsContact OD1-N 3.1Å
17S91.5Very high93.3Very high63 Ų6343.8 Ų43.844%0.44127%0.268SS..EExtended strand (participates in β ladder)trans-67.2134.2171.7-175.50000109.8G19S17-G19 PolarHBondContact O-N 3.48Å; S17-G19 PolarHBondContact OG-N 3.49Å
18T92Very high93.4Very high67 Ų6740.2 Ų40.241%0.41125%0.25SC..EExtended strand (participates in β ladder)trans-78.6-4.8175.459.20000113.1V10 S20V10-T18 PolarHBondContact O-N 3.16Å; V10-T18 PolarHBondContact O-OG1 3Å; T18-S20 PolarHBondContact O-N 3.4Å; T18-S20 VanDerWaalsContact O-N 3.17Å; T18-S20 PolarHBondContact OG1-N 3.5Å; T18-S20 PolarHBondContact OG1-OG 3.24Å
19G89.3Confident93.3Very high62 Ų6242.1 Ų42.164%0.63926%0.261SS*.EExtended strand (participates in β ladder)trans76.4-16.6-16900000114S17S17-G19 PolarHBondContact O-N 3.48Å; S17-G19 PolarHBondContact OG-N 3.49Å
20S92.9Very high93.2Very high51 Ų5139.9 Ų39.936%0.35725%0.25SC..EExtended strand (participates in β ladder)trans-77.4139.117673.40000111.8V10 T18V10-S20 WeakPolarHBondContact CB-OG 3.46Å; V10-S20 PolarHBondContact N-O 2.88Å; T18-S20 PolarHBondContact O-N 3.4Å; T18-S20 VanDerWaalsContact O-N 3.17Å; T18-S20 PolarHBondContact OG1-N 3.5Å; T18-S20 PolarHBondContact OG1-OG 3.24Å
21T94.2Very high93.1Very high67 Ų6741.1 Ų41.141%0.41126%0.257SS..EExtended strand (participates in β ladder)trans-120.8152.517962.60000111.1I7 V8 N9I7-T21 HydrophobicContact CD1-CG2 4.49Å; V8-T21 CarbonylContact O-C 3.56Å; V8-T21 WeakPolarHBondContact O-CA 3.48Å; N9-T21 WeakPolarHBondContact OD1-CG2 2.92Å
22I94.2Very high93Very high7 Ų743.7 Ų43.74%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-125.5134.5175.4-43.3173.3000108.4I7 V8 V10 M24 V153 D254 F257 R258I7-I22 CarbonylContact C-O 3.54Å; I7-I22 WeakPolarHBondContact CA-O 3.37Å; V8-I22 PolarHBondContact N-O 3.23Å; V8-I22 PolarHBondContact O-N 3.38Å; V10-I22 HydrophobicContact CG2-CD1 3.63Å; V10-I22 HydrophobicContact CG2-CG1 3.59Å; I22-M24 PolarHBondContact O-N 3.35Å; I22-V153 HydrophobicContact CD1-CG1 3.8Å; I22-D254 HydrophobicContact CD1-CB 4.27Å; I22-D254 WeakPolarHBondContact CD1-OD1 3.49Å; I22-F257 HydrophobicContact CB-CD1 4.23Å; I22-F257 HydrophobicContact CB-CE1 4.47Å; I22-F257 HydrophobicContact CD1-CB 4.29Å; I22-F257 HydrophobicContact CD1-CD1 3.83Å; I22-F257 HydrophobicContact CD1-CG 4.47Å; I22-F257 HydrophobicContact CG2-CD1 4.02Å; I22-F257 HydrophobicContact CG2-CE1 4.47Å; I22-R258 HydrophobicContact CD1-CG 4.26Å; I22-R258 HydrophobicContact CG2-CG 3.78Å
23K93.6Very high93.1Very high161 Ų16147.7 Ų47.770%0.729%0.286SS*.EExtended strand (participates in β ladder)trans-57.5132.2167.9-177177.7-179174.70110P25K23-P25 VanDerWaalsContact O-CD 3.28Å; K23-P25 WeakPolarHBondContact O-CD 3.47Å
24M94Very high93.2Very high20 Ų2049.7 Ų49.710%0.09930%0.295CS..PPolyproline II helixtrans-60.7122.9177.8-176.171.275.800110.7R5 P6 V8 I22 F28 P151 F257R5-M24 HydrophobicContact CB-CE 4.32Å; R5-M24 WeakPolarHBondContact O-CB 3.48Å; P6-M24 PolarHBondContact O-N 3.01Å; V8-M24 HydrophobicContact CG2-CB 4.49Å; V8-M24 HydrophobicContact CG2-CE 3.18Å; V8-M24 HydrophobicContact CG2-SD 3.73Å; I22-M24 PolarHBondContact O-N 3.35Å; M24-F28 HydrophobicContact CG-CB 4.01Å; M24-F28 HydrophobicContact CG-CD2 4.37Å; M24-F28 HydrophobicContact CG-CG 4.44Å; M24-F28 HydrophobicContact SD-CB 3.88Å; M24-F28 HydrophobicContact SD-CD1 4.45Å; M24-F28 HydrophobicContact SD-CD2 3.63Å; M24-F28 HydrophobicContact SD-CE2 4.29Å; M24-F28 HydrophobicContact SD-CG 3.73Å; M24-P151 HydrophobicContact CE-CG 4.18Å; M24-P151 HydrophobicContact SD-CG 4.09Å; M24-F257 HydrophobicContact SD-CZ 3.89Å
25P94.8Very high93.4Very high2 Ų248.4 Ų48.41%0.01329%0.288CS..PPolyproline II helixtrans-60.2140.9176.9-2836.9000112K23 V27 F28 F257 L260 D261K23-P25 VanDerWaalsContact O-CD 3.28Å; K23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-V27 HydrophobicContact CB-CG1 4.08Å; P25-V27 PolarHBondContact O-N 3.09Å; P25-F28 HydrophobicContact CB-CD2 4.23Å; P25-F28 HydrophobicContact CG-CD2 4.44Å; P25-F28 HydrophobicContact CG-CE2 4.45Å; P25-F28 PolarHBondContact O-N 3.06Å; P25-F257 VanDerWaalsContact CD-CZ 3.41Å; P25-F257 HydrophobicContact CG-CD1 3.98Å; P25-F257 HydrophobicContact CG-CE1 3.79Å; P25-F257 HydrophobicContact CG-CE2 4.5Å; P25-F257 HydrophobicContact CG-CG 4.44Å; P25-F257 HydrophobicContact CG-CZ 4.06Å; P25-L260 HydrophobicContact CB-CB 3.8Å; P25-L260 HydrophobicContact CB-CD1 4.3Å; P25-L260 HydrophobicContact CG-CB 4.03Å; P25-L260 HydrophobicContact CG-CD1 4.11Å; P25-D261 WeakPolarHBondContact CA-OD1 3.48Å; P25-D261 WeakPolarHBondContact CB-OD1 3.26Å
26A93.5Very high93.8Very high16 Ų1648.5 Ų48.513%0.13228%0.284CS..G310 helixtrans-61.9-23.2-173.800000113F28 T29 D261 T266 L279A26-F28 PolarHBondContact O-N 3.32Å; A26-T29 WeakPolarHBondContact O-CB 3.45Å; A26-T29 PolarHBondContact O-N 3Å; A26-T29 PolarHBondContact O-OG1 3.47Å; A26-D261 PolarHBondContact N-OD1 2.7Å; A26-T266 HydrophobicContact CB-CG2 4.25Å; A26-L279 HydrophobicContact CB-CD1 3.6Å
27V94.8Very high94Very high0 Ų046.1 Ų46.10%026%0.264CS..G310 helixtrans-58.4-29175.869.30000112.7P25 T29 T30 C125 I128 L260 Y264 L279P25-V27 HydrophobicContact CB-CG1 4.08Å; P25-V27 PolarHBondContact O-N 3.09Å; V27-T29 PolarHBondContact O-N 3.39Å; V27-T30 VanDerWaalsContact O-CB 3.25Å; V27-T30 WeakPolarHBondContact O-CB 3.42Å; V27-T30 PolarHBondContact O-N 3.23Å; V27-T30 VanDerWaalsContact O-N 3.12Å; V27-T30 PolarHBondContact O-OG1 3.5Å; V27-C125 HydrophobicContact CG2-CB 3.86Å; V27-I128 HydrophobicContact CG1-CG2 3.79Å; V27-I128 HydrophobicContact CG2-CB 4.26Å; V27-I128 HydrophobicContact CG2-CD1 4.1Å; V27-I128 HydrophobicContact CG2-CG2 4.22Å; V27-L260 HydrophobicContact CG1-CB 4.24Å; V27-L260 HydrophobicContact CG1-CD1 4.19Å; V27-Y264 HydrophobicContact CG2-CD2 4.46Å; V27-Y264 HydrophobicContact CG2-CG 4.26Å; V27-L279 HydrophobicContact CB-CD2 4.3Å; V27-L279 HydrophobicContact CG2-CD2 4.26Å
28F94.6Very high94.3Very high13 Ų1347 Ų476%0.05727%0.265CS..G310 helixtrans-69.4-14.1175.1-75.4-83.3000113.4T4 M24 P25 A26 T30 I128 P151 W252 F257 L260T4-F28 HydrophobicContact CG2-CB 4.17Å; T4-F28 WeakPolarHBondContact CG2-O 3.36Å; M24-F28 HydrophobicContact CG-CB 4.01Å; M24-F28 HydrophobicContact CG-CD2 4.37Å; M24-F28 HydrophobicContact CG-CG 4.44Å; M24-F28 HydrophobicContact SD-CB 3.88Å; M24-F28 HydrophobicContact SD-CD1 4.45Å; M24-F28 HydrophobicContact SD-CD2 3.63Å; M24-F28 HydrophobicContact SD-CE2 4.29Å; M24-F28 HydrophobicContact SD-CG 3.73Å; P25-F28 HydrophobicContact CB-CD2 4.23Å; P25-F28 HydrophobicContact CG-CD2 4.44Å; P25-F28 HydrophobicContact CG-CE2 4.45Å; P25-F28 PolarHBondContact O-N 3.06Å; A26-F28 PolarHBondContact O-N 3.32Å; F28-T30 VanDerWaalsContact C-N 3.35Å; F28-I128 HydrophobicContact CD1-CG2 4.49Å; F28-I128 HydrophobicContact CE1-CG2 4.03Å; F28-I128 VanDerWaalsContact CE1-O 3.28Å; F28-I128 WeakPolarHBondContact CE1-O 3.43Å; F28-I128 HydrophobicContact CE2-CG2 4.11Å; F28-I128 HydrophobicContact CZ-CG2 3.82Å; F28-P151 HydrophobicContact CD1-CG 3.81Å; F28-P151 HydrophobicContact CE1-CB 4.01Å; F28-P151 HydrophobicContact CE1-CG 3.35Å; F28-P151 HydrophobicContact CE2-CG 4.24Å; F28-P151 HydrophobicContact CG-CG 4.42Å; F28-P151 HydrophobicContact CZ-CB 3.93Å; F28-P151 HydrophobicContact CZ-CG 3.6Å; F28-W252 HydrophobicContact CZ-CZ2 4.28Å; F28-F257 HydrophobicContact CD2-CE2 4.33Å; F28-F257 HydrophobicContact CD2-CZ 4.32Å; F28-F257 HydrophobicContact CE2-CD2 4.25Å; F28-F257 AromaticContact CE2-CE2 3.34Å; F28-F257 HydrophobicContact CE2-CE2 3.34Å; F28-F257 AromaticContact CE2-CZ 3.73Å; F28-F257 HydrophobicContact CE2-CZ 3.73Å; F28-F257 AromaticContact CZ-CE2 3.65Å; F28-F257 HydrophobicContact CZ-CE2 3.65Å; F28-F257 HydrophobicContact CZ-CZ 4.32Å; F28-L260 HydrophobicContact CE2-CD1 3.85Å
29T91.7Very high94.6Very high40 Ų4048.8 Ų48.825%0.24527%0.266CS..G310 helixtrans-90.63.8173.576.30000113.6T4 A26 V27 R267T4-T29 HydrophobicContact CG2-CG2 3.8Å; A26-T29 WeakPolarHBondContact O-CB 3.45Å; A26-T29 PolarHBondContact O-N 3Å; A26-T29 PolarHBondContact O-OG1 3.47Å; V27-T29 PolarHBondContact O-N 3.39Å; T29-R267 PolarHBondContact O-NH2 3.44Å; T29-R267 PolarHBondContact OG1-NE 2.92Å; T29-R267 PolarHBondContact OG1-NH2 3.1Å
30T93.4Very high95Very high7 Ų745.8 Ų45.84%0.04324%0.236CC..SBendtrans-65.7141.9-179.4-54.40000110.6V27 F28 L32 Y122 C125 P280V27-T30 VanDerWaalsContact O-CB 3.25Å; V27-T30 WeakPolarHBondContact O-CB 3.42Å; V27-T30 PolarHBondContact O-N 3.23Å; V27-T30 VanDerWaalsContact O-N 3.12Å; V27-T30 PolarHBondContact O-OG1 3.5Å; F28-T30 VanDerWaalsContact C-N 3.35Å; T30-L32 PolarHBondContact O-N 3.29Å; T30-Y122 HydrophobicContact CG2-CE2 4.47Å; T30-C125 HydrophobicContact CG2-CB 3.64Å; T30-P280 HydrophobicContact CG2-CB 4.45Å; T30-P280 HydrophobicContact CG2-CG 4.05Å
31P93.9Very high95.3Very high27 Ų2743.9 Ų43.918%0.17522%0.221CC..  trans-59.4135.3174.8-21.132.1000112.6R33 S126 P280 A282P31-R33 PolarHBondContact O-N 3.25Å; P31-S126 PolarHBondContact O-OG 3.05Å; P31-P280 WeakPolarHBondContact CD-O 3.28Å; P31-A282 VanDerWaalsContact CG-CA 3.47Å; P31-A282 HydrophobicContact CG-CB 3.72Å
32L94.7Very high95.5Very high79 Ų7942.8 Ų42.841%0.41421%0.213SC..  trans-82.9100.1179.3-59.6178.8000110.5T30 S126 A129 A130 V133 L136 M246T30-L32 PolarHBondContact O-N 3.29Å; L32-S126 WeakPolarHBondContact CD2-O 3.41Å; L32-A129 HydrophobicContact CD2-CB 3.64Å; L32-A130 HydrophobicContact CD2-CB 4.02Å; L32-V133 HydrophobicContact CD1-CG2 4.39Å; L32-L136 HydrophobicContact CD1-CD1 3.6Å; L32-M246 HydrophobicContact CB-SD 4.33Å; L32-M246 HydrophobicContact CD2-SD 4.47Å
33R95.5Very high95.6Very high88 Ų8844 Ų4433%0.33222%0.218SC..  trans-107.597.9176.1-76-162.964.6173.8-1112.5P31 D35 L36 L37 Y122P31-R33 PolarHBondContact O-N 3.25Å; R33-D35 WeakPolarHBondContact CB-OD1 3.44Å; R33-D35 IonicContact CZ-OD1 2.71Å; R33-D35 IonicContact CZ-OD2 3.36Å; R33-D35 IonicContact NE-OD1 3.29Å; R33-D35 PolarHBondContact NE-OD1 3.46Å; R33-D35 VanDerWaalsContact NE-OD1 3.16Å; R33-D35 IonicContact NE-OD2 3.6Å; R33-D35 IonicContact NH2-OD1 2.69Å; R33-D35 IonicContact NH2-OD2 2.61Å; R33-D35 PolarHBondContact NH2-OD2 3.14Å; R33-L36 HydrophobicContact CB-CB 3.98Å; R33-L37 VanDerWaalsContact O-CB 3.26Å; R33-L37 WeakPolarHBondContact O-CB 3.49Å; R33-L37 PolarHBondContact O-N 2.9Å; R33-Y122 HydrophobicContact CB-CE2 4Å; R33-Y122 VanDerWaalsContact CD-OH 3.28Å; R33-Y122 WeakPolarHBondContact CD-OH 3.27Å; R33-Y122 HydrophobicContact CG-CE2 3.94Å
34L95.4Very high95.8Very high85 Ų8538 Ų3845%0.44519%0.193SC..Hα-helixtrans-71.5-37.7179.2179.963.2000112.4L37 N38 M246L34-L37 PolarHBondContact O-N 3.32Å; L34-N38 VanDerWaalsContact O-CB 3.25Å; L34-N38 WeakPolarHBondContact O-CB 3.36Å; L34-N38 PolarHBondContact O-N 2.97Å; L34-M246 VanDerWaalsContact CA-CE 3.41Å; L34-M246 HydrophobicContact CB-CE 3.7Å; L34-M246 HydrophobicContact CD1-CE 3.87Å; L34-M246 HydrophobicContact CD1-CG 4.44Å; L34-M246 HydrophobicContact CG-CE 4.4Å
35D97.1Very high95.9Very high92 Ų9243.5 Ų43.549%0.49221%0.213SC..Hα-helixtrans-58.1-52.417763.5-34.7000112.1R33 L37 N38 F39R33-D35 WeakPolarHBondContact CB-OD1 3.44Å; R33-D35 IonicContact CZ-OD1 2.71Å; R33-D35 IonicContact CZ-OD2 3.36Å; R33-D35 IonicContact NE-OD1 3.29Å; R33-D35 PolarHBondContact NE-OD1 3.46Å; R33-D35 VanDerWaalsContact NE-OD1 3.16Å; R33-D35 IonicContact NE-OD2 3.6Å; R33-D35 IonicContact NH2-OD1 2.69Å; R33-D35 IonicContact NH2-OD2 2.61Å; R33-D35 PolarHBondContact NH2-OD2 3.14Å; D35-L37 PolarHBondContact O-N 2.95Å; D35-N38 PolarHBondContact O-N 2.79Å; D35-F39 WeakPolarHBondContact O-CB 3.45Å; D35-F39 PolarHBondContact O-N 3.43Å
36L96.7Very high96.1Very high21 Ų2145.8 Ų45.811%0.1122%0.223CC..Hα-helixtrans-65.1-41.4178.4179147.2000110.9R33 V40 Y122 A123R33-L36 HydrophobicContact CB-CB 3.98Å; L36-V40 HydrophobicContact CD2-CG2 4.44Å; L36-V40 WeakPolarHBondContact O-CB 3.43Å; L36-V40 VanDerWaalsContact O-CG2 3.31Å; L36-V40 WeakPolarHBondContact O-CG2 3.32Å; L36-V40 PolarHBondContact O-N 3.39Å; L36-Y122 HydrophobicContact CD1-CD1 4.14Å; L36-Y122 HydrophobicContact CD1-CD2 4.38Å; L36-Y122 HydrophobicContact CD1-CG 4.04Å; L36-Y122 HydrophobicContact CD2-CD2 3.93Å; L36-Y122 HydrophobicContact CD2-CG 4.03Å; L36-A123 HydrophobicContact CD2-CB 3.66Å
37L96.9Very high96.3Very high0 Ų047.9 Ų47.90%023%0.232CC..Hα-helixtrans-64.1-44.1178.2-179.8158.2000111.5R33 L34 D35 V40 H41 A127 L237 A241 G244 M246R33-L37 VanDerWaalsContact O-CB 3.26Å; R33-L37 WeakPolarHBondContact O-CB 3.49Å; R33-L37 PolarHBondContact O-N 2.9Å; L34-L37 PolarHBondContact O-N 3.32Å; D35-L37 PolarHBondContact O-N 2.95Å; L37-V40 PolarHBondContact O-N 3.48Å; L37-H41 WeakPolarHBondContact O-CB 3.38Å; L37-H41 PolarHBondContact O-N 2.87Å; L37-A127 HydrophobicContact CD1-CB 3.83Å; L37-L237 HydrophobicContact CD1-CD1 4.27Å; L37-L237 HydrophobicContact CG-CD1 4.13Å; L37-A241 HydrophobicContact CD1-CB 3.98Å; L37-A241 HydrophobicContact CD2-CB 3.73Å; L37-A241 HydrophobicContact CG-CB 4.26Å; L37-G244 WeakPolarHBondContact CD2-O 3.4Å; L37-M246 HydrophobicContact CD1-CB 3.93Å; L37-M246 HydrophobicContact CD1-CE 3.99Å
38N97.7Very high96.3Very high83 Ų8352.2 Ų52.244%0.44426%0.262SS..Hα-helixtrans-64-47.2178-171.1-3.8000110.9L34 D35 V40 H41 D42L34-N38 VanDerWaalsContact O-CB 3.25Å; L34-N38 WeakPolarHBondContact O-CB 3.36Å; L34-N38 PolarHBondContact O-N 2.97Å; D35-N38 PolarHBondContact O-N 2.79Å; N38-V40 PolarHBondContact O-N 3.17Å; N38-H41 PolarHBondContact O-N 2.87Å; N38-D42 PolarHBondContact O-N 2.96Å
39F98Very high96.4Very high103 Ų10356.3 Ų56.345%0.45228%0.277SS..Hα-helixtrans-54-53174.9174.3-98.9000111.7D35 H41 D42 Q43D35-F39 WeakPolarHBondContact O-CB 3.45Å; D35-F39 PolarHBondContact O-N 3.43Å; F39-H41 PolarHBondContact O-N 2.97Å; F39-D42 PolarHBondContact O-N 3.2Å; F39-Q43 HydrophobicContact CE1-CG 4.37Å; F39-Q43 HydrophobicContact CE2-CG 4.23Å; F39-Q43 HydrophobicContact CZ-CG 4.12Å; F39-Q43 WeakPolarHBondContact O-CG 3.39Å; F39-Q43 PolarHBondContact O-N 3.46Å; F39-Q43 VanDerWaalsContact O-N 3.13Å
40V98.1Very high96.6Very high0 Ų062.5 Ų62.50%030%0.303CS..Hα-helixtrans-63.3-42.3179.31730000111.3L36 L37 N38 D42 Q43 M44 I115 Q119 R120 A123 L237L36-V40 HydrophobicContact CD2-CG2 4.44Å; L36-V40 WeakPolarHBondContact O-CB 3.43Å; L36-V40 VanDerWaalsContact O-CG2 3.31Å; L36-V40 WeakPolarHBondContact O-CG2 3.32Å; L36-V40 PolarHBondContact O-N 3.39Å; L37-V40 PolarHBondContact O-N 3.48Å; N38-V40 PolarHBondContact O-N 3.17Å; V40-D42 PolarHBondContact O-N 3.19Å; V40-Q43 PolarHBondContact O-N 2.99Å; V40-M44 HydrophobicContact CG1-CG 4.08Å; V40-M44 HydrophobicContact CG1-SD 3.81Å; V40-M44 VanDerWaalsContact O-CB 3.31Å; V40-M44 WeakPolarHBondContact O-CB 3.43Å; V40-M44 VanDerWaalsContact O-CG 3.31Å; V40-M44 WeakPolarHBondContact O-CG 3.35Å; V40-M44 PolarHBondContact O-N 3.39Å; V40-I115 HydrophobicContact CG1-CD1 4.42Å; V40-I115 HydrophobicContact CG1-CG2 4.3Å; V40-I115 HydrophobicContact CG2-CG2 4.11Å; V40-Q119 HydrophobicContact CG2-CB 4.18Å; V40-R120 HydrophobicContact CG1-CB 4.38Å; V40-R120 HydrophobicContact CG1-CG 4.34Å; V40-A123 HydrophobicContact CB-CB 3.88Å; V40-A123 HydrophobicContact CG1-CB 3.94Å; V40-A123 HydrophobicContact CG2-CB 4Å; V40-L237 HydrophobicContact CB-CD2 3.91Å; V40-L237 HydrophobicContact CG1-CD2 3.43Å; V40-L237 VanDerWaalsContact CG1-CD2 3.43Å
41H98.3Very high96.8Very high10 Ų1065.8 Ų65.85%0.04633%0.325CS..Hα-helixtrans-60.5-45.8179.3175.9-79.8000111.4L37 N38 F39 M44 R45 L237 A241 G243 G244L37-H41 WeakPolarHBondContact O-CB 3.38Å; L37-H41 PolarHBondContact O-N 2.87Å; N38-H41 PolarHBondContact O-N 2.87Å; F39-H41 PolarHBondContact O-N 2.97Å; H41-M44 PolarHBondContact O-N 3.2Å; H41-R45 VanDerWaalsContact O-CB 3.28Å; H41-R45 WeakPolarHBondContact O-CB 3.47Å; H41-R45 PolarHBondContact O-N 3.28Å; H41-L237 HydrophobicContact CB-CD2 4.24Å; H41-A241 PolarHBondContact CD2-O 3.43Å; H41-A241 PolarHBondContact NE2-O 3.07Å; H41-G243 VanDerWaalsContact CE1-C 3.49Å; H41-G243 PolarHBondContact NE2-N 3.05Å; H41-G243 VanDerWaalsContact NE2-N 3.19Å; H41-G244 PolarHBondContact CD2-N 3.34Å; H41-G244 PolarHBondContact CE1-N 3.21Å; H41-G244 VanDerWaalsContact CE1-N 3.3Å; H41-G244 PolarHBondContact ND1-N 2.9Å; H41-G244 PolarHBondContact NE2-N 2.81Å
42D97.6Very high97Very high45 Ų4570.2 Ų70.224%0.24134%0.339CS..Hα-helixtrans-65.1-44.1179.8-175.452.7000112.3N38 F39 V40 R45 K46N38-D42 PolarHBondContact O-N 2.96Å; F39-D42 PolarHBondContact O-N 3.2Å; V40-D42 PolarHBondContact O-N 3.19Å; D42-R45 PolarHBondContact O-N 3.09Å; D42-R45 IonicContact OD1-NH2 3.92Å; D42-R45 PolarHBondContact OD1-NH2 3.01Å; D42-K46 WeakPolarHBondContact O-CG 3.48Å; D42-K46 PolarHBondContact O-N 3.42Å; D42-K46 WeakPolarHBondContact OD2-CE 3.4Å; D42-K46 IonicContact OD2-NZ 2.71Å; D42-K46 PolarHBondContact OD2-NZ 3.24Å
43Q97.7Very high97.2Very high31 Ų3168.8 Ų68.815%0.14534%0.338CS..Hα-helixtrans-64.7-42.1175.2-57.7-55.3-20.200111.9F39 V40 R45 K46 R113 I115F39-Q43 HydrophobicContact CE1-CG 4.37Å; F39-Q43 HydrophobicContact CE2-CG 4.23Å; F39-Q43 HydrophobicContact CZ-CG 4.12Å; F39-Q43 WeakPolarHBondContact O-CG 3.39Å; F39-Q43 PolarHBondContact O-N 3.46Å; F39-Q43 VanDerWaalsContact O-N 3.13Å; V40-Q43 PolarHBondContact O-N 2.99Å; Q43-R45 VanDerWaalsContact C-N 3.34Å; Q43-R45 PolarHBondContact O-N 3.47Å; Q43-K46 PolarHBondContact O-N 3.05Å; Q43-R113 HydrophobicContact CB-CB 4.14Å; Q43-I115 HydrophobicContact CB-CD1 3.51Å; Q43-I115 HydrophobicContact CB-CG1 3.65Å
44M97.2Very high97.2Very high35 Ų3567.5 Ų67.517%0.17234%0.34CS..Hα-helixtrans-63.5-40.4177.6-79.8-173.965.300111.4V40 H41 K46 N47 I115 R120 L237 L238V40-M44 HydrophobicContact CG1-CG 4.08Å; V40-M44 HydrophobicContact CG1-SD 3.81Å; V40-M44 VanDerWaalsContact O-CB 3.31Å; V40-M44 WeakPolarHBondContact O-CB 3.43Å; V40-M44 VanDerWaalsContact O-CG 3.31Å; V40-M44 WeakPolarHBondContact O-CG 3.35Å; V40-M44 PolarHBondContact O-N 3.39Å; H41-M44 PolarHBondContact O-N 3.2Å; M44-K46 VanDerWaalsContact C-N 3.31Å; M44-K46 PolarHBondContact O-N 3.08Å; M44-N47 WeakPolarHBondContact O-CB 3.49Å; M44-N47 PolarHBondContact O-N 2.9Å; M44-I115 HydrophobicContact CB-CD1 4.16Å; M44-I115 HydrophobicContact CG-CD1 3.35Å; M44-R120 HydrophobicContact SD-CG 4.07Å; M44-L237 HydrophobicContact CE-CB 4.34Å; M44-L237 HydrophobicContact SD-CB 3.92Å; M44-L237 HydrophobicContact SD-CD2 4.12Å; M44-L238 HydrophobicContact CB-CD2 4.01Å; M44-L238 HydrophobicContact CB-CG 4.32Å; M44-L238 HydrophobicContact CE-CG 4.32Å
45R97.2Very high97.3Very high137 Ų13767.1 Ų67.152%0.51735%0.345SS..Hα-helixtrans-64.7-36.2-179-173.2177.365.1160.2-1.5111.7H41 D42 Q43 N47 S48 L238H41-R45 VanDerWaalsContact O-CB 3.28Å; H41-R45 WeakPolarHBondContact O-CB 3.47Å; H41-R45 PolarHBondContact O-N 3.28Å; D42-R45 PolarHBondContact O-N 3.09Å; D42-R45 IonicContact OD1-NH2 3.92Å; D42-R45 PolarHBondContact OD1-NH2 3.01Å; Q43-R45 VanDerWaalsContact C-N 3.34Å; Q43-R45 PolarHBondContact O-N 3.47Å; R45-N47 PolarHBondContact O-N 3.06Å; R45-S48 PolarHBondContact O-N 3.03Å; R45-S48 PolarHBondContact O-OG 3.27Å; R45-L238 HydrophobicContact CB-CD2 4.08Å
46K97.6Very high97.2Very high50 Ų5067.9 Ų67.922%0.21736%0.357CS..Hα-helixtrans-59.1-31.8176.5-73.4165.7-179.5143.60112.8D42 Q43 M44 S48 R49 R113D42-K46 WeakPolarHBondContact O-CG 3.48Å; D42-K46 PolarHBondContact O-N 3.42Å; D42-K46 WeakPolarHBondContact OD2-CE 3.4Å; D42-K46 IonicContact OD2-NZ 2.71Å; D42-K46 PolarHBondContact OD2-NZ 3.24Å; Q43-K46 PolarHBondContact O-N 3.05Å; M44-K46 VanDerWaalsContact C-N 3.31Å; M44-K46 PolarHBondContact O-N 3.08Å; K46-S48 PolarHBondContact O-N 3.47Å; K46-R49 WeakPolarHBondContact O-CB 3.25Å; K46-R49 VanDerWaalsContact O-CG 3.28Å; K46-R49 WeakPolarHBondContact O-CG 3.34Å; K46-R49 PolarHBondContact O-N 2.96Å; K46-R113 HydrophobicContact CD-CG 4.02Å
47N97.3Very high97.1Very high59 Ų5973.7 Ų73.732%0.31638%0.381SS..THydrogen-bonded Turntrans-71.1-8.4-178.4-63-15.2000114.3M44 R45 H112 R113M44-N47 WeakPolarHBondContact O-CB 3.49Å; M44-N47 PolarHBondContact O-N 2.9Å; R45-N47 PolarHBondContact O-N 3.06Å; N47-H112 PolarHBondContact O-NE2 3.33Å; N47-H112 VanDerWaalsContact OD1-CA 3.28Å; N47-H112 WeakPolarHBondContact OD1-CA 3.32Å; N47-R113 PolarHBondContact ND2-O 3.09Å; N47-R113 PolarHBondContact OD1-N 2.92Å; N47-R113 PolarHBondContact OD1-O 3.14Å
48S95.6Very high97.1Very high92 Ų9275.8 Ų75.864%0.64340%0.399SS*.THydrogen-bonded Turntrans-931.8175.165.60000113.8R45 K46R45-S48 PolarHBondContact O-N 3.03Å; R45-S48 PolarHBondContact O-OG 3.27Å; K46-S48 PolarHBondContact O-N 3.47Å
49R96.8Very high96.9Very high99 Ų9972.5 Ų72.537%0.37438%0.384SS..PPolyproline II helixtrans-82.4138.6-175.8-64.3176.469.9177.710110.9K46 W111K46-R49 WeakPolarHBondContact O-CB 3.25Å; K46-R49 VanDerWaalsContact O-CG 3.28Å; K46-R49 WeakPolarHBondContact O-CG 3.34Å; K46-R49 PolarHBondContact O-N 2.96Å; R49-W111 HydrophobicContact CB-CE3 4.43Å
50Q96.6Very high96.7Very high170 Ų17072.1 Ų72.179%0.79438%0.384SS*.PPolyproline II helixtrans-86.9138.5167.5-69.6172.7-18.500110
51P97.7Very high96.6Very high76 Ų7679.5 Ų79.549%0.49442%0.419SS..PPolyproline II helixtrans-57.4145.9172.8-23.533.9000111.9W111P51-W111 HydrophobicContact CB-CZ2 4.34Å
52Y97.7Very high96.4Very high120 Ų12081.1 Ų81.147%0.47143%0.429SS..  trans-137.3144.9168.661.1-93.8000108.9R109 W111Y52-R109 PolarHBondContact OH-NH1 2.89Å; Y52-W111 AromaticContact CD1-CH2 3.45Å; Y52-W111 HydrophobicContact CD1-CH2 3.45Å; Y52-W111 VanDerWaalsContact CD1-CH2 3.45Å; Y52-W111 HydrophobicContact CD1-CZ2 4.3Å; Y52-W111 AromaticContact CD1-CZ3 3.91Å; Y52-W111 HydrophobicContact CD1-CZ3 3.91Å; Y52-W111 HydrophobicContact CD2-CH2 4.41Å; Y52-W111 AromaticContact CE1-CH2 3.2Å; Y52-W111 HydrophobicContact CE1-CH2 3.2Å; Y52-W111 HydrophobicContact CE1-CZ2 4.38Å; Y52-W111 AromaticContact CE1-CZ3 3.42Å; Y52-W111 HydrophobicContact CE1-CZ3 3.42Å; Y52-W111 VanDerWaalsContact CE1-CZ3 3.42Å; Y52-W111 HydrophobicContact CE2-CH2 4.2Å; Y52-W111 HydrophobicContact CG-CH2 4.07Å; Y52-W111 AromaticContact CZ-CH2 3.6Å
53A97.8Very high96.3Very high48 Ų4882.2 Ų82.240%0.39744%0.44SS..  trans-149.6157.9-178.900000109.6T105 T107A53-T105 WeakPolarHBondContact CA-O 3.41Å; A53-T105 WeakPolarHBondContact CA-OG1 3.49Å; A53-T105 WeakPolarHBondContact CB-O 3.34Å; A53-T107 HydrophobicContact CB-CG2 3.63Å
54V97Very high96.2Very high62 Ų6281 Ų8138%0.37644%0.436SS..  trans-83.7158.8166.2-64.90000109.2S56 M101 P104 T105V54-S56 PolarHBondContact O-N 3.49Å; V54-M101 HydrophobicContact CG1-SD 3.93Å; V54-M101 HydrophobicContact CG2-SD 4.14Å; V54-P104 HydrophobicContact CG2-CB 3.66Å; V54-T105 PolarHBondContact N-O 3.43Å; V54-T105 PolarHBondContact N-OG1 2.98Å; V54-T105 VanDerWaalsContact N-OG1 3.11Å
55S96.4Very high96.1Very high77 Ų7784.5 Ų84.554%0.53845%0.452SS..  trans-60.6133.9174.5175.10000110.2K57 A58S55-K57 PolarHBondContact O-N 3.25Å; S55-K57 PolarHBondContact OG-N 3.47Å; S55-A58 WeakPolarHBondContact O-CB 3.47Å; S55-A58 PolarHBondContact O-N 3.49Å
56S94.7Very high96Very high108 Ų10880.7 Ų80.776%0.75545%0.446SS*.THydrogen-bonded Turntrans-65-23.117752.60000113.1V54V54-S56 PolarHBondContact O-N 3.49Å
57K95.6Very high95.9Very high142 Ų14283 Ų8362%0.61745%0.453SS*.THydrogen-bonded Turntrans-90-10.2178.9-61.5-175.5177.9-177.40113.2S55 G59 H60 Q61S55-K57 PolarHBondContact O-N 3.25Å; S55-K57 PolarHBondContact OG-N 3.47Å; K57-G59 PolarHBondContact O-N 3.32Å; K57-H60 PolarHBondContact O-N 2.95Å; K57-H60 VanDerWaalsContact O-N 3.1Å; K57-Q61 HydrophobicContact CB-CG 4.3Å
58A95.8Very high95.7Very high44 Ų4481.8 Ų81.836%0.36446%0.455SS..THydrogen-bonded Turntrans-63.5128.1-175.900000111.2S55 H60 H100S55-A58 WeakPolarHBondContact O-CB 3.47Å; S55-A58 PolarHBondContact O-N 3.49Å; A58-H60 PolarHBondContact O-CD2 3.47Å; A58-H60 PolarHBondContact O-N 2.96Å; A58-H100 WeakPolarHBondContact O-CB 3.49Å
59G94.7Very high95.7Very high14 Ų1482.8 Ų82.814%0.14446%0.458CS..THydrogen-bonded Turntrans78.7-3.4-177.500000115K57 Y92K57-G59 PolarHBondContact O-N 3.32Å; G59-Y92 WeakPolarHBondContact O-CD1 3.26Å
60H94.5Very high95.6Very high96 Ų9681.9 Ų81.944%0.44448%0.479SS..THydrogen-bonded Turntrans-109.4-0.5178.5-63.8-72.8000113.8K57 A58 T62 H100K57-H60 PolarHBondContact O-N 2.95Å; K57-H60 VanDerWaalsContact O-N 3.1Å; A58-H60 PolarHBondContact O-CD2 3.47Å; A58-H60 PolarHBondContact O-N 2.96Å; H60-T62 VanDerWaalsContact C-N 3.26Å; H60-T62 PolarHBondContact O-N 3.49Å; H60-H100 AromaticContact CE1-CD2 3.13Å; H60-H100 PolarHBondContact CE1-CD2 3.18Å; H60-H100 AromaticContact CE1-CG 3.68Å; H60-H100 AromaticContact CE1-NE2 3.63Å; H60-H100 AromaticContact ND1-CD2 3.84Å; H60-H100 AromaticContact NE2-CD2 3.52Å; H60-H100 AromaticContact NE2-CG 3.56Å
61Q94.6Very high95.4Very high155 Ų15580.5 Ų80.572%0.72447%0.467SS*.SBendtrans-80.9-0.2-177.8-71167.6-25.700114.1K57K57-Q61 HydrophobicContact CB-CG 4.3Å
62T93.8Very high95.3Very high44 Ų4482.5 Ų82.527%0.2749%0.489SS..SBendtrans-103.9139.9-177.9-52.20000110.1H60 V79 Y92H60-T62 VanDerWaalsContact C-N 3.26Å; H60-T62 PolarHBondContact O-N 3.49Å; T62-V79 HydrophobicContact CG2-CB 4.16Å; T62-V79 HydrophobicContact CG2-CG1 3.7Å; T62-V79 HydrophobicContact CG2-CG2 3.57Å; T62-Y92 WeakPolarHBondContact O-CE1 3.48Å; T62-Y92 PolarHBondContact O-OH 3.28Å
63S95.2Very high95.1Very high67 Ų6779.4 Ų79.447%0.46948%0.483SS..  trans-84.4115.7167.1-175.70000109.3R80S63-R80 PolarHBondContact O-N 3.11Å; S63-R80 PolarHBondContact OG-NH1 2.92Å
64A95.9Very high95Very high7 Ų780.4 Ų80.46%0.05849%0.491CS..EExtended strand (participates in β ladder)trans-146.9143.3-177.500000111.1P77 R78 A91 Y92A64-P77 HydrophobicContact CB-CB 4.09Å; A64-R78 WeakPolarHBondContact CA-O 3.45Å; A64-R78 VanDerWaalsContact CB-O 3.29Å; A64-R78 WeakPolarHBondContact CB-O 3.34Å; A64-A91 HydrophobicContact CB-CB 3.53Å; A64-Y92 HydrophobicContact CB-CD2 4.47Å; A64-Y92 HydrophobicContact CB-CE2 4.04Å; A64-Y92 PolarHBondContact N-OH 3.37Å; A64-Y92 VanDerWaalsContact O-CE2 3.32Å; A64-Y92 WeakPolarHBondContact O-CE2 3.33Å
65E95.1Very high94.9Very high107 Ų10786.3 Ų86.350%0.551%0.507SS..EExtended strand (participates in β ladder)trans-137.4152178.6-80.4-177.7168.800111.2R78 R80E65-R78 PolarHBondContact N-O 3.19Å; E65-R78 VanDerWaalsContact N-O 3.08Å; E65-R78 PolarHBondContact O-N 2.95Å; E65-R80 IonicContact OE1-CZ 2.75Å; E65-R80 IonicContact OE1-NH2 3.94Å; E65-R80 PolarHBondContact OE1-NH2 2.8Å; E65-R80 IonicContact OE2-CZ 3.75Å; E65-R80 IonicContact OE2-NE 3.54Å; E65-R80 PolarHBondContact OE2-NE 3.2Å; E65-R80 IonicContact OE2-NH2 3.99Å; E65-R80 PolarHBondContact OE2-NH2 2.93Å
66S96.1Very high94.9Very high58 Ų5884.5 Ų84.541%0.40649%0.491SS..EExtended strand (participates in β ladder)trans-69.1139.5174.8-171.60000109.6G68 R75S66-G68 PolarHBondContact O-N 3.33Å; S66-G68 PolarHBondContact OG-N 2.96Å; S66-R75 PolarHBondContact OG-O 3.27Å
67W94.6Very high95Very high97 Ų9781 Ų8137%0.36747%0.465SS..  trans-824.7176.8-77.34.6000113.7R71 V73 R78W67-R71 VanDerWaalsContact CB-NH1 3.27Å; W67-R71 PolarHBondContact O-NH1 2.98Å; W67-V73 HydrophobicContact CE3-CG2 3.92Å; W67-R78 HydrophobicContact CD2-CB 4.38Å; W67-R78 HydrophobicContact CD2-CG 4.47Å; W67-R78 VanDerWaalsContact CE3-CD 3.47Å; W67-R78 HydrophobicContact CZ2-CB 4.15Å
68G94Very high95.1Very high34 Ų3476.2 Ų76.235%0.35144%0.443SS..  trans75.7-159.2-175.500000112.8S66S66-G68 PolarHBondContact O-N 3.33Å; S66-G68 PolarHBondContact OG-N 2.96Å
69T95.6Very high95.1Very high114 Ų11475 Ų7570%0.69943%0.431SS*.SBendtrans-102.2-10.4-176.444.80000114.1R71 R75T69-R71 PolarHBondContact O-N 3.29Å; T69-R75 HydrophobicContact CG2-CG 4.06Å
70G94.8Very high95.1Very high80 Ų8080.6 Ų80.683%0.82545%0.448SS*.SBendtrans-79.25.7-172.900000115.9
71R91.9Very high95.1Very high141 Ų14179.4 Ų79.453%0.53246%0.461SS..SBendtrans-121.3150.2178.2-64.7179.5175.3115.6-9.1108.7W67 T69 V73W67-R71 VanDerWaalsContact CB-NH1 3.27Å; W67-R71 PolarHBondContact O-NH1 2.98Å; T69-R71 PolarHBondContact O-N 3.29Å; R71-V73 HydrophobicContact CB-CG2 3.68Å; R71-V73 PolarHBondContact O-N 3Å
72A94.7Very high95.1Very high117 Ų11774.9 Ų74.997%0.96746%0.456SS*.SBendtrans-71.848.3175.500000112.9
73V94.1Very high95.1Very high55 Ų5577.1 Ų77.133%0.33349%0.488SS..SBendtrans-140.4151.2-179.6-69.10000110.8W67 R71W67-V73 HydrophobicContact CE3-CG2 3.92Å; R71-V73 HydrophobicContact CB-CG2 3.68Å; R71-V73 PolarHBondContact O-N 3Å
74A95.5Very high95.2Very high69 Ų6978.1 Ų78.157%0.5749%0.492SS*.  trans-61.9149.4176.600000112.8I76A74-I76 PolarHBondContact O-N 3.33Å
75R96.5Very high95.1Very high187 Ų18786.5 Ų86.571%0.70653%0.529SS*.SBendtrans-67.514.8-178.1-63.6-176.2-74.7-177.3-3.3115.9S66 T69S66-R75 PolarHBondContact OG-O 3.27Å; T69-R75 HydrophobicContact CG2-CG 4.06Å
76I96Very high95.1Very high39 Ų3984.8 Ų84.820%0.252%0.518CS..SBendtrans-70.7144.9-179.8-162.264.8000110.3A74 R78 M95 C96A74-I76 PolarHBondContact O-N 3.33Å; I76-R78 HydrophobicContact CG2-CG 4.47Å; I76-R78 PolarHBondContact O-N 3.16Å; I76-M95 HydrophobicContact CD1-CE 4.49Å; I76-M95 HydrophobicContact CD1-SD 3.74Å; I76-C96 WeakPolarHBondContact CG1-SG 3.36Å
77P96.9Very high95Very high33 Ų3383.4 Ų83.421%0.21451%0.509CS..EExtended strand (participates in β ladder)trans-55.8135.8171.2-26.936.8000111.5A64 G90 A91 Y92A64-P77 HydrophobicContact CB-CB 4.09Å; P77-G90 CarbonylContact O-C 3.6Å; P77-G90 WeakPolarHBondContact O-CA 3.46Å; P77-A91 PolarHBondContact O-N 2.66Å; P77-Y92 HydrophobicContact CB-CD2 3.78Å; P77-Y92 HydrophobicContact CB-CE2 4.33Å; P77-Y92 HydrophobicContact CG-CD2 3.97Å
78R96.7Very high94.9Very high43 Ų4379.6 Ų79.616%0.16250%0.499CS..EExtended strand (participates in β ladder)trans-120.5141-178.7-71.5171.8-177.4-82.2-5.3110.9A64 E65 W67 I76 R80 G88 Q89A64-R78 WeakPolarHBondContact CA-O 3.45Å; A64-R78 VanDerWaalsContact CB-O 3.29Å; A64-R78 WeakPolarHBondContact CB-O 3.34Å; E65-R78 PolarHBondContact N-O 3.19Å; E65-R78 VanDerWaalsContact N-O 3.08Å; E65-R78 PolarHBondContact O-N 2.95Å; W67-R78 HydrophobicContact CD2-CB 4.38Å; W67-R78 HydrophobicContact CD2-CG 4.47Å; W67-R78 VanDerWaalsContact CE3-CD 3.47Å; W67-R78 HydrophobicContact CZ2-CB 4.15Å; I76-R78 HydrophobicContact CG2-CG 4.47Å; I76-R78 PolarHBondContact O-N 3.16Å; R78-R80 PolarHBondContact O-N 3.3Å; R78-G88 WeakPolarHBondContact CD-O 3.32Å; R78-G88 WeakPolarHBondContact CG-O 3.26Å; R78-G88 PolarHBondContact NH1-O 3.4Å; R78-Q89 CarbonylContact C-O 3.59Å; R78-Q89 VanDerWaalsContact CA-O 3.24Å; R78-Q89 WeakPolarHBondContact CA-O 3.46Å
79V96.7Very high95Very high18 Ų1881.3 Ų81.311%0.10950%0.498CS..EExtended strand (participates in β ladder)trans-61129.9-179.7-174.90000110T62 R86 G88 Q89 A91T62-V79 HydrophobicContact CG2-CB 4.16Å; T62-V79 HydrophobicContact CG2-CG1 3.7Å; T62-V79 HydrophobicContact CG2-CG2 3.57Å; V79-R86 HydrophobicContact CG1-CG 4.4Å; V79-R86 HydrophobicContact CG2-CG 4.25Å; V79-G88 PolarHBondContact O-N 3.11Å; V79-Q89 PolarHBondContact N-O 2.94Å; V79-A91 HydrophobicContact CG2-CB 3.96Å
80R94.9Very high95Very high131 Ų13176.8 Ų76.849%0.49447%0.474SS..  trans-71.4171.9179.1-66.9179.7170.8177.2-15.6112.3S63 E65 R78S63-R80 PolarHBondContact O-N 3.11Å; S63-R80 PolarHBondContact OG-NH1 2.92Å; E65-R80 IonicContact OE1-CZ 2.75Å; E65-R80 IonicContact OE1-NH2 3.94Å; E65-R80 PolarHBondContact OE1-NH2 2.8Å; E65-R80 IonicContact OE2-CZ 3.75Å; E65-R80 IonicContact OE2-NE 3.54Å; E65-R80 PolarHBondContact OE2-NE 3.2Å; E65-R80 IonicContact OE2-NH2 3.99Å; E65-R80 PolarHBondContact OE2-NH2 2.93Å; R78-R80 PolarHBondContact O-N 3.3Å
81G93.9Very high95.1Very high71 Ų7173 Ų7373%0.73244%0.435SS*.  trans83.8-172178.300000113.8S87G81-S87 WeakPolarHBondContact O-CB 3.28Å
82G94.1Very high95.2Very high60 Ų6069.6 Ų69.662%0.61942%0.423SS*.SBendtrans-147.7176.8178.200000111.1T84G82-T84 VanDerWaalsContact C-N 3.32Å; G82-T84 PolarHBondContact O-N 2.76Å
83G94.6Very high95.2Very high91 Ų9164.7 Ų64.794%0.93838%0.383SS*.SBendtrans82.8-4.1174.900000116
84T95.6Very high95.4Very high88 Ų8866.7 Ų66.754%0.5439%0.392SS..SBendtrans-123154.1174.377.70000111.1G82 R86 S87G82-T84 VanDerWaalsContact C-N 3.32Å; G82-T84 PolarHBondContact O-N 2.76Å; T84-R86 PolarHBondContact O-N 2.83Å; T84-R86 PolarHBondContact OG1-N 3.37Å; T84-S87 PolarHBondContact O-N 2.98Å; T84-S87 PolarHBondContact OG1-N 3.19Å; T84-S87 PolarHBondContact OG1-OG 3.1Å; T84-S87 VanDerWaalsContact OG1-OG 3.06Å
85H95.3Very high95.4Very high184 Ų18470.1 Ų70.185%0.85240%0.398SS*.THydrogen-bonded Turntrans-59.8-18.9174.1-66.3-67.1000113.6Q89H85-Q89 PolarHBondContact O-NE2 3.26Å
86R94.3Very high95.4Very high70 Ų7062.3 Ų62.326%0.26437%0.372SS..THydrogen-bonded Turntrans-84.7-28-177.6-172.354.9176.3167.50.3112.8V79 T84 Q89 R97V79-R86 HydrophobicContact CG1-CG 4.4Å; V79-R86 HydrophobicContact CG2-CG 4.25Å; T84-R86 PolarHBondContact O-N 2.83Å; T84-R86 PolarHBondContact OG1-N 3.37Å; R86-Q89 WeakPolarHBondContact O-CB 3.4Å; R86-Q89 PolarHBondContact O-N 3.17Å; R86-R97 PolarHBondContact NH1-O 3.06Å; R86-R97 PolarHBondContact NH2-O 3.33Å
87S94.6Very high95.4Very high30 Ų3070.2 Ų70.221%0.2140%0.399CS..THydrogen-bonded Turntrans-58.8135.5179.5-59.80000111.2G81 T84 Q89G81-S87 WeakPolarHBondContact O-CB 3.28Å; T84-S87 PolarHBondContact O-N 2.98Å; T84-S87 PolarHBondContact OG1-N 3.19Å; T84-S87 PolarHBondContact OG1-OG 3.1Å; T84-S87 VanDerWaalsContact OG1-OG 3.06Å; S87-Q89 VanDerWaalsContact C-N 3.28Å; S87-Q89 PolarHBondContact O-N 2.88Å
88G92.6Very high95.2Very high16 Ų1671.4 Ų71.417%0.16542%0.417CS..THydrogen-bonded Turntrans78.9-7.2-178.400000116.5R78 V79R78-G88 WeakPolarHBondContact CD-O 3.32Å; R78-G88 WeakPolarHBondContact CG-O 3.26Å; R78-G88 PolarHBondContact NH1-O 3.4Å; V79-G88 PolarHBondContact O-N 3.11Å
89Q96Very high95.1Very high71 Ų7170.4 Ų70.433%0.33242%0.42SS..SBendtrans-77.7154.9175.2-61.8-170.5-300112.5R78 V79 H85 R86 S87R78-Q89 CarbonylContact C-O 3.59Å; R78-Q89 VanDerWaalsContact CA-O 3.24Å; R78-Q89 WeakPolarHBondContact CA-O 3.46Å; V79-Q89 PolarHBondContact N-O 2.94Å; H85-Q89 PolarHBondContact O-NE2 3.26Å; R86-Q89 WeakPolarHBondContact O-CB 3.4Å; R86-Q89 PolarHBondContact O-N 3.17Å; S87-Q89 VanDerWaalsContact C-N 3.28Å; S87-Q89 PolarHBondContact O-N 2.88Å
90G95.4Very high95Very high18 Ų1872.1 Ų72.119%0.18643%0.427CS..BIsolated β-bridgetrans-63.6140.8176.500000113.7P77P77-G90 CarbonylContact O-C 3.6Å; P77-G90 WeakPolarHBondContact O-CA 3.46Å
91A96.2Very high95.1Very high2 Ų270.5 Ų70.52%0.01743%0.426CS..  trans-137.5172.7-17800000111.7A64 P77 V79 G93A64-A91 HydrophobicContact CB-CB 3.53Å; P77-A91 PolarHBondContact O-N 2.66Å; V79-A91 HydrophobicContact CG2-CB 3.96Å; A91-G93 PolarHBondContact O-N 3.39Å
92Y94.8Very high95.2Very high69 Ų6976.1 Ų76.127%0.27143%0.427SS..SBendtrans61.9-57.3-175.5-56.2-33.3000115.4G59 T62 A64 P77 H100G59-Y92 WeakPolarHBondContact O-CD1 3.26Å; T62-Y92 WeakPolarHBondContact O-CE1 3.48Å; T62-Y92 PolarHBondContact O-OH 3.28Å; A64-Y92 HydrophobicContact CB-CD2 4.47Å; A64-Y92 HydrophobicContact CB-CE2 4.04Å; A64-Y92 PolarHBondContact N-OH 3.37Å; A64-Y92 VanDerWaalsContact O-CE2 3.32Å; A64-Y92 WeakPolarHBondContact O-CE2 3.33Å; P77-Y92 HydrophobicContact CB-CD2 3.78Å; P77-Y92 HydrophobicContact CB-CE2 4.33Å; P77-Y92 HydrophobicContact CG-CD2 3.97Å; Y92-H100 PolarHBondContact O-CD2 2.71Å; Y92-H100 PolarHBondContact O-N 2.75Å; Y92-H100 PolarHBondContact O-NE2 2.75Å
93G94.6Very high95.3Very high13 Ų1376.6 Ų76.613%0.13443%0.425CS..SBendtrans-57.3147.8-171.200000114.8A91 M95 C96A91-G93 PolarHBondContact O-N 3.39Å; G93-M95 PolarHBondContact O-N 2.87Å; G93-C96 VanDerWaalsContact O-CB 3.26Å; G93-C96 WeakPolarHBondContact O-CB 3.36Å; G93-C96 PolarHBondContact O-N 3.05Å
94N97.3Very high95.4Very high97 Ų9774.7 Ų74.752%0.51940%0.396SS..THydrogen-bonded Turntrans-64.7-19.7176.663.7-43.5000114C96 H100N94-C96 VanDerWaalsContact C-N 3.34Å; N94-H100 WeakPolarHBondContact CA-O 3.49Å; N94-H100 PolarHBondContact N-O 3.34Å
95M96.7Very high95.5Very high141 Ų14173 Ų7370%0.69539%0.386SS*.THydrogen-bonded Turntrans-81.9-11.8171.270.4-71.4-8400113.1I76 G93I76-M95 HydrophobicContact CD1-CE 4.49Å; I76-M95 HydrophobicContact CD1-SD 3.74Å; G93-M95 PolarHBondContact O-N 2.87Å
96C96.2Very high95.5Very high23 Ų2370.8 Ų70.816%0.15537%0.373CS..SBendtrans-88.1140.6-176.6-630000111.8I76 G93 N94 G98 G99I76-C96 WeakPolarHBondContact CG1-SG 3.36Å; G93-C96 VanDerWaalsContact O-CB 3.26Å; G93-C96 WeakPolarHBondContact O-CB 3.36Å; G93-C96 PolarHBondContact O-N 3.05Å; N94-C96 VanDerWaalsContact C-N 3.34Å; C96-G98 PolarHBondContact O-N 3.4Å; C96-G99 PolarHBondContact O-N 3.26Å
97R95.2Very high95.6Very high206 Ų20672 Ų7278%0.77739%0.388SS*.THydrogen-bonded Turntrans-62.4120.4167.9-178.6177.4176.2-101.91.5109.9R86 G99R86-R97 PolarHBondContact NH1-O 3.06Å; R86-R97 PolarHBondContact NH2-O 3.33Å; R97-G99 VanDerWaalsContact C-N 3.28Å
98G93.4Very high95.7Very high57 Ų5777.8 Ų77.859%0.58841%0.414SS*.THydrogen-bonded Turntrans77.96.2-176.600000114.8C96C96-G98 PolarHBondContact O-N 3.4Å
99G95.3Very high95.9Very high22 Ų2283.4 Ų83.423%0.22743%0.43CS..  trans-72.4174.3170.200000112.5C96 R97C96-G99 PolarHBondContact O-N 3.26Å; R97-G99 VanDerWaalsContact C-N 3.28Å
100H94.5Very high95.9Very high54 Ų5488.5 Ų88.525%0.2545%0.446CS..PPolyproline II helixtrans-81.4148.117470.877.6000110A58 H60 Y92 N94A58-H100 WeakPolarHBondContact O-CB 3.49Å; H60-H100 AromaticContact CE1-CD2 3.13Å; H60-H100 PolarHBondContact CE1-CD2 3.18Å; H60-H100 AromaticContact CE1-CG 3.68Å; H60-H100 AromaticContact CE1-NE2 3.63Å; H60-H100 AromaticContact ND1-CD2 3.84Å; H60-H100 AromaticContact NE2-CD2 3.52Å; H60-H100 AromaticContact NE2-CG 3.56Å; Y92-H100 PolarHBondContact O-CD2 2.71Å; Y92-H100 PolarHBondContact O-N 2.75Å; Y92-H100 PolarHBondContact O-NE2 2.75Å; N94-H100 WeakPolarHBondContact CA-O 3.49Å; N94-H100 PolarHBondContact N-O 3.34Å
101M96.4Very high96Very high97 Ų9788.3 Ų88.348%0.47844%0.44SS..PPolyproline II helixtrans-73.4159.4178.274.8-169.9-34.300112.3V54 P104V54-M101 HydrophobicContact CG1-SD 3.93Å; V54-M101 HydrophobicContact CG2-SD 4.14Å; M101-P104 HydrophobicContact CG-CB 4.32Å; M101-P104 HydrophobicContact CG-CG 4.21Å; M101-P104 WeakPolarHBondContact O-CD 3.28Å
102Y96.8Very high96Very high190 Ų19093.2 Ų93.275%0.74546%0.463SS*.SBendtrans-69.2136.2167.8173.6-104.5000110.3
103A95.8Very high96.2Very high70 Ų7093.7 Ų93.758%0.57946%0.464SS*.SBendtrans45.765.8-177.300000114T105A103-T105 PolarHBondContact O-N 2.84Å
104P96Very high96.3Very high51 Ų51102.4 Ų102.433%0.33150%0.498SS..PPolyproline II helixtrans-50.4133.9-179.7-26.834.9000112.5V54 M101 K106V54-P104 HydrophobicContact CG2-CB 3.66Å; M101-P104 HydrophobicContact CG-CB 4.32Å; M101-P104 HydrophobicContact CG-CG 4.21Å; M101-P104 WeakPolarHBondContact O-CD 3.28Å; P104-K106 WeakPolarHBondContact O-CG 3.49Å; P104-K106 PolarHBondContact O-N 2.76Å
105T97.1Very high96.3Very high53 Ų5399 Ų9933%0.32548%0.479SS..PPolyproline II helixtrans-60121.8179.252.20000110.9A53 V54 A103A53-T105 WeakPolarHBondContact CA-O 3.41Å; A53-T105 WeakPolarHBondContact CA-OG1 3.49Å; A53-T105 WeakPolarHBondContact CB-O 3.34Å; V54-T105 PolarHBondContact N-O 3.43Å; V54-T105 PolarHBondContact N-OG1 2.98Å; V54-T105 VanDerWaalsContact N-OG1 3.11Å; A103-T105 PolarHBondContact O-N 2.84Å
106K96Very high96.2Very high136 Ų13696.9 Ų96.959%0.59147%0.471SS*.PPolyproline II helixtrans-99.7147.7179.1-56.6-173.4177.4-178.30111.5P104 M108 R109P104-K106 WeakPolarHBondContact O-CG 3.49Å; P104-K106 PolarHBondContact O-N 2.76Å; K106-M108 VanDerWaalsContact C-N 3.25Å; K106-M108 HydrophobicContact CB-CG 3.8Å; K106-M108 HydrophobicContact CD-CE 4.44Å; K106-M108 HydrophobicContact CD-CG 4.23Å; K106-M108 HydrophobicContact CD-SD 4Å; K106-M108 PolarHBondContact O-N 3.28Å; K106-R109 PolarHBondContact O-N 3.34Å
107T96.6Very high96.2Very high95 Ų95100.3 Ų100.358%0.58349%0.487SS*.THydrogen-bonded Turntrans-61.9-34174.550.60000112.1A53 R109 W111A53-T107 HydrophobicContact CB-CG2 3.63Å; T107-R109 PolarHBondContact O-N 3.5Å; T107-W111 PolarHBondContact O-NE1 2.9Å; T107-W111 VanDerWaalsContact O-NE1 3.11Å
108M96.5Very high96.2Very high152 Ų15297.2 Ų97.275%0.74948%0.481SS*.THydrogen-bonded Turntrans-68.34.6179.467.9178.863.100115.6K106 R110K106-M108 VanDerWaalsContact C-N 3.25Å; K106-M108 HydrophobicContact CB-CG 3.8Å; K106-M108 HydrophobicContact CD-CE 4.44Å; K106-M108 HydrophobicContact CD-CG 4.23Å; K106-M108 HydrophobicContact CD-SD 4Å; K106-M108 PolarHBondContact O-N 3.28Å; M108-R110 PolarHBondContact O-N 3.36Å
109R96.7Very high96.3Very high134 Ų13497.7 Ų97.751%0.50647%0.468SS..SBendtrans-54.9135.7171179.9179.7-177.2171.86.2109.5Y52 K106 T107 W111Y52-R109 PolarHBondContact OH-NH1 2.89Å; K106-R109 PolarHBondContact O-N 3.34Å; T107-R109 PolarHBondContact O-N 3.5Å; R109-W111 HydrophobicContact CB-CZ2 3.9Å; R109-W111 HydrophobicContact CG-CZ2 4.28Å; R109-W111 PolarHBondContact O-N 2.86Å; R109-W111 PolarHBondContact O-NE1 3.3Å; R109-W111 VanDerWaalsContact O-NE1 3.09Å
110R96.6Very high96.4Very high178 Ų178101.9 Ų101.967%0.67248%0.477SS*.  trans-69.790.5177.3-164.5-171.1171.6-179.82.2111M108 R113M108-R110 PolarHBondContact O-N 3.36Å; R110-R113 VanDerWaalsContact CG-NH1 3.26Å; R110-R113 PolarHBondContact O-NH1 3.41Å
111W96.8Very high96.5Very high15 Ų15101.9 Ų101.96%0.05748%0.475CS..  trans-76.6-42.6179.2-57.399.3000112.9R49 P51 Y52 T107 R109R49-W111 HydrophobicContact CB-CE3 4.43Å; P51-W111 HydrophobicContact CB-CZ2 4.34Å; Y52-W111 AromaticContact CD1-CH2 3.45Å; Y52-W111 HydrophobicContact CD1-CH2 3.45Å; Y52-W111 VanDerWaalsContact CD1-CH2 3.45Å; Y52-W111 HydrophobicContact CD1-CZ2 4.3Å; Y52-W111 AromaticContact CD1-CZ3 3.91Å; Y52-W111 HydrophobicContact CD1-CZ3 3.91Å; Y52-W111 HydrophobicContact CD2-CH2 4.41Å; Y52-W111 AromaticContact CE1-CH2 3.2Å; Y52-W111 HydrophobicContact CE1-CH2 3.2Å; Y52-W111 HydrophobicContact CE1-CZ2 4.38Å; Y52-W111 AromaticContact CE1-CZ3 3.42Å; Y52-W111 HydrophobicContact CE1-CZ3 3.42Å; Y52-W111 VanDerWaalsContact CE1-CZ3 3.42Å; Y52-W111 HydrophobicContact CE2-CH2 4.2Å; Y52-W111 HydrophobicContact CG-CH2 4.07Å; Y52-W111 AromaticContact CZ-CH2 3.6Å; T107-W111 PolarHBondContact O-NE1 2.9Å; T107-W111 VanDerWaalsContact O-NE1 3.11Å; R109-W111 HydrophobicContact CB-CZ2 3.9Å; R109-W111 HydrophobicContact CG-CZ2 4.28Å; R109-W111 PolarHBondContact O-N 2.86Å; R109-W111 PolarHBondContact O-NE1 3.3Å; R109-W111 VanDerWaalsContact O-NE1 3.09Å
112H97.4Very high96.5Very high105 Ų10599.1 Ų99.149%0.48646%0.46SS..  trans-86.2153-174.3-61.391.6000112.3N47N47-H112 PolarHBondContact O-NE2 3.33Å; N47-H112 VanDerWaalsContact OD1-CA 3.28Å; N47-H112 WeakPolarHBondContact OD1-CA 3.32Å
113R97.2Very high96.5Very high79 Ų7990.1 Ų90.130%0.29842%0.424SS..  trans-135.8120.3-177.9-67.2-73.8-175.9-81.33.3108.8Q43 K46 N47 R110Q43-R113 HydrophobicContact CB-CB 4.14Å; K46-R113 HydrophobicContact CD-CG 4.02Å; N47-R113 PolarHBondContact ND2-O 3.09Å; N47-R113 PolarHBondContact OD1-N 2.92Å; N47-R113 PolarHBondContact OD1-O 3.14Å; R110-R113 VanDerWaalsContact CG-NH1 3.26Å; R110-R113 PolarHBondContact O-NH1 3.41Å
114K97.3Very high96.6Very high195 Ų19587.4 Ų87.485%0.84840%0.4SS*.  trans-74.1139.3172-173.8176.5179.1179.90108.3
115I96.7Very high96.6Very high25 Ų2585 Ų8513%0.12838%0.384CS..  trans-128.6137.1179.9-54.8166.6000107.2V40 Q43 M44 I117 Q119 R120V40-I115 HydrophobicContact CG1-CD1 4.42Å; V40-I115 HydrophobicContact CG1-CG2 4.3Å; V40-I115 HydrophobicContact CG2-CG2 4.11Å; Q43-I115 HydrophobicContact CB-CD1 3.51Å; Q43-I115 HydrophobicContact CB-CG1 3.65Å; M44-I115 HydrophobicContact CB-CD1 4.16Å; M44-I115 HydrophobicContact CG-CD1 3.35Å; I115-I117 PolarHBondContact O-N 3.12Å; I115-Q119 HydrophobicContact CG2-CB 4.47Å; I115-R120 HydrophobicContact CG2-CB 4.38Å
116N96.7Very high96.6Very high98 Ų9882.4 Ų82.452%0.52437%0.369SS..  trans-61.7135178.9-67.6-8.1000110.2Q118 Q119 R120N116-Q118 VanDerWaalsContact C-N 3.27Å; N116-Q118 PolarHBondContact O-N 2.83Å; N116-Q119 HydrophobicContact CB-CB 4.22Å; N116-Q119 HydrophobicContact CB-CG 4.01Å; N116-Q119 PolarHBondContact O-N 3.09Å; N116-Q119 VanDerWaalsContact O-N 3.16Å; N116-R120 PolarHBondContact O-N 2.97Å
117I95.7Very high96.6Very high94 Ų9476 Ų7648%0.48234%0.34SS..Hα-helixtrans-59.4-42.1-174.9-64.8171.5000110.5I115 R120 R121I115-I117 PolarHBondContact O-N 3.12Å; I117-R120 PolarHBondContact O-N 3.38Å; I117-R121 HydrophobicContact CG2-CG 4.4Å; I117-R121 VanDerWaalsContact O-CG 3.3Å; I117-R121 WeakPolarHBondContact O-CG 3.39Å; I117-R121 PolarHBondContact O-N 3.47Å
118Q94.9Very high96.6Very high142 Ų14271.4 Ų71.466%0.66431%0.313SS*.Hα-helixtrans-64-43.7177.6-69.9-179.7-8.400112.3N116 R120 R121 Y122N116-Q118 VanDerWaalsContact C-N 3.27Å; N116-Q118 PolarHBondContact O-N 2.83Å; Q118-R120 VanDerWaalsContact C-N 3.34Å; Q118-R120 PolarHBondContact O-N 3.32Å; Q118-R121 PolarHBondContact O-N 3.31Å; Q118-Y122 WeakPolarHBondContact O-CB 3.48Å; Q118-Y122 PolarHBondContact O-N 3.21Å
119Q96Very high96.6Very high67 Ų6764.3 Ų64.331%0.31328%0.278SS..Hα-helixtrans-59.9-44.5175.1-71.8177.9-16.900111.4V40 I115 N116 R121 Y122 A123V40-Q119 HydrophobicContact CG2-CB 4.18Å; I115-Q119 HydrophobicContact CG2-CB 4.47Å; N116-Q119 HydrophobicContact CB-CB 4.22Å; N116-Q119 HydrophobicContact CB-CG 4.01Å; N116-Q119 PolarHBondContact O-N 3.09Å; N116-Q119 VanDerWaalsContact O-N 3.16Å; Q119-R121 PolarHBondContact O-N 3.46Å; Q119-Y122 PolarHBondContact O-N 3.15Å; Q119-A123 WeakPolarHBondContact O-CB 3.37Å; Q119-A123 PolarHBondContact O-N 3.08Å
120R96.6Very high96.6Very high109 Ų10957.9 Ų57.941%0.41125%0.254SS..Hα-helixtrans-62.5-42.1176.8-174.1177.263.9-177-0.7112V40 M44 I115 N116 I117 Q118 A123 I124V40-R120 HydrophobicContact CG1-CB 4.38Å; V40-R120 HydrophobicContact CG1-CG 4.34Å; M44-R120 HydrophobicContact SD-CG 4.07Å; I115-R120 HydrophobicContact CG2-CB 4.38Å; N116-R120 PolarHBondContact O-N 2.97Å; I117-R120 PolarHBondContact O-N 3.38Å; Q118-R120 VanDerWaalsContact C-N 3.34Å; Q118-R120 PolarHBondContact O-N 3.32Å; R120-A123 PolarHBondContact O-N 3.07Å; R120-I124 HydrophobicContact CG-CD1 4.39Å; R120-I124 WeakPolarHBondContact O-CG1 3.46Å; R120-I124 PolarHBondContact O-N 3.36Å; R120-I124 VanDerWaalsContact O-N 3.16Å
121R96.3Very high96.5Very high54 Ų5449.5 Ų49.520%0.20422%0.222CC..Hα-helixtrans-66-43.7177.5-70.6174.7179.4171.9-2.6111.1I117 Q118 Q119 I124 C125 K274 S275 F277I117-R121 HydrophobicContact CG2-CG 4.4Å; I117-R121 VanDerWaalsContact O-CG 3.3Å; I117-R121 WeakPolarHBondContact O-CG 3.39Å; I117-R121 PolarHBondContact O-N 3.47Å; Q118-R121 PolarHBondContact O-N 3.31Å; Q119-R121 PolarHBondContact O-N 3.46Å; R121-I124 PolarHBondContact O-N 2.95Å; R121-C125 PolarHBondContact O-N 3.06Å; R121-C125 PolarHBondContact O-SG 2.95Å; R121-K274 HydrophobicContact CG-CD 4.48Å; R121-S275 PolarHBondContact NH1-O 3.26Å; R121-F277 HydrophobicContact CB-CD2 3.81Å; R121-F277 HydrophobicContact CB-CE2 3.31Å; R121-F277 HydrophobicContact CB-CZ 3.81Å; R121-F277 HydrophobicContact CG-CD2 4.22Å; R121-F277 HydrophobicContact CG-CE2 4.21Å
122Y96.5Very high96.3Very high40 Ų4049.6 Ų49.616%0.15723%0.228CC..Hα-helixtrans-55.4-53.2172.9-165.6138.8000110.2T30 R33 L36 Q118 Q119 I124 C125 S126 P280T30-Y122 HydrophobicContact CG2-CE2 4.47Å; R33-Y122 HydrophobicContact CB-CE2 4Å; R33-Y122 VanDerWaalsContact CD-OH 3.28Å; R33-Y122 WeakPolarHBondContact CD-OH 3.27Å; R33-Y122 HydrophobicContact CG-CE2 3.94Å; L36-Y122 HydrophobicContact CD1-CD1 4.14Å; L36-Y122 HydrophobicContact CD1-CD2 4.38Å; L36-Y122 HydrophobicContact CD1-CG 4.04Å; L36-Y122 HydrophobicContact CD2-CD2 3.93Å; L36-Y122 HydrophobicContact CD2-CG 4.03Å; Q118-Y122 WeakPolarHBondContact O-CB 3.48Å; Q118-Y122 PolarHBondContact O-N 3.21Å; Q119-Y122 PolarHBondContact O-N 3.15Å; Y122-I124 PolarHBondContact O-N 3.43Å; Y122-C125 WeakPolarHBondContact O-CA 3.46Å; Y122-C125 WeakPolarHBondContact O-CB 3.4Å; Y122-C125 PolarHBondContact O-N 3.41Å; Y122-S126 VanDerWaalsContact CD2-OG 3.3Å; Y122-S126 WeakPolarHBondContact CD2-OG 3.28Å; Y122-S126 WeakPolarHBondContact CE2-OG 3.23Å; Y122-S126 PolarHBondContact O-N 3.3Å; Y122-S126 PolarHBondContact O-OG 3.32Å; Y122-P280 HydrophobicContact CD1-CB 3.63Å; Y122-P280 HydrophobicContact CD1-CG 3.4Å; Y122-P280 HydrophobicContact CD2-CG 3.98Å; Y122-P280 HydrophobicContact CE1-CB 3.27Å; Y122-P280 HydrophobicContact CE1-CG 3.61Å; Y122-P280 HydrophobicContact CE2-CB 4.21Å; Y122-P280 HydrophobicContact CE2-CG 4.13Å; Y122-P280 HydrophobicContact CG-CB 4.23Å; Y122-P280 HydrophobicContact CG-CG 3.58Å
123A97.8Very high96.1Very high0 Ų046.3 Ų46.30%022%0.215CC..Hα-helixtrans-54.9-40-178.900000112.4L36 V40 Q119 R120 A127 L237L36-A123 HydrophobicContact CD2-CB 3.66Å; V40-A123 HydrophobicContact CB-CB 3.88Å; V40-A123 HydrophobicContact CG1-CB 3.94Å; V40-A123 HydrophobicContact CG2-CB 4Å; Q119-A123 WeakPolarHBondContact O-CB 3.37Å; Q119-A123 PolarHBondContact O-N 3.08Å; R120-A123 PolarHBondContact O-N 3.07Å; A123-A127 WeakPolarHBondContact O-CB 3.43Å; A123-A127 PolarHBondContact O-N 3.48Å; A123-L237 HydrophobicContact CB-CD1 4.05Å; A123-L237 HydrophobicContact CB-CD2 3.72Å; A123-L237 WeakPolarHBondContact O-CD1 3.36Å
124I97.2Very high96Very high13 Ų1345.5 Ų45.57%0.06722%0.22CC..Hα-helixtrans-67.3-43.7175.9-65166.9000111R120 R121 Y122 S126 A127 I128 L235 L237 L240 Y264R120-I124 HydrophobicContact CG-CD1 4.39Å; R120-I124 WeakPolarHBondContact O-CG1 3.46Å; R120-I124 PolarHBondContact O-N 3.36Å; R120-I124 VanDerWaalsContact O-N 3.16Å; R121-I124 PolarHBondContact O-N 2.95Å; Y122-I124 PolarHBondContact O-N 3.43Å; I124-S126 PolarHBondContact O-N 2.95Å; I124-A127 WeakPolarHBondContact O-CB 3.48Å; I124-A127 PolarHBondContact O-N 3Å; I124-I128 HydrophobicContact CG2-CD1 3.83Å; I124-I128 HydrophobicContact CG2-CG1 4.3Å; I124-I128 VanDerWaalsContact O-CG1 3.3Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 3.48Å; I124-L235 HydrophobicContact CG2-CB 4.2Å; I124-L235 HydrophobicContact CG2-CD1 4.48Å; I124-L237 HydrophobicContact CG1-CB 4.13Å; I124-L237 HydrophobicContact CG1-CD1 4.27Å; I124-L240 HydrophobicContact CG2-CD1 4.15Å; I124-Y264 HydrophobicContact CG2-CE1 4.33Å; I124-Y264 WeakPolarHBondContact CG2-OH 3.42Å
125C96.3Very high95.8Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-60.3-44.6176.1-62.20000112V27 T30 R121 Y122 A127 I128 A129 Y264V27-C125 HydrophobicContact CG2-CB 3.86Å; T30-C125 HydrophobicContact CG2-CB 3.64Å; R121-C125 PolarHBondContact O-N 3.06Å; R121-C125 PolarHBondContact O-SG 2.95Å; Y122-C125 WeakPolarHBondContact O-CA 3.46Å; Y122-C125 WeakPolarHBondContact O-CB 3.4Å; Y122-C125 PolarHBondContact O-N 3.41Å; C125-A127 VanDerWaalsContact C-N 3.3Å; C125-A127 PolarHBondContact O-N 2.97Å; C125-I128 PolarHBondContact O-N 2.92Å; C125-A129 WeakPolarHBondContact O-CB 3.4Å; C125-A129 PolarHBondContact O-N 2.84Å; C125-Y264 WeakPolarHBondContact SG-CD1 3.41Å; C125-Y264 VanDerWaalsContact SG-CE1 3.54Å
126S96.4Very high95.8Very high0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-59-42173.4-56.40000111.8P31 L32 Y122 I124 A130P31-S126 PolarHBondContact O-OG 3.05Å; L32-S126 WeakPolarHBondContact CD2-O 3.41Å; Y122-S126 VanDerWaalsContact CD2-OG 3.3Å; Y122-S126 WeakPolarHBondContact CD2-OG 3.28Å; Y122-S126 WeakPolarHBondContact CE2-OG 3.23Å; Y122-S126 PolarHBondContact O-N 3.3Å; Y122-S126 PolarHBondContact O-OG 3.32Å; I124-S126 PolarHBondContact O-N 2.95Å; S126-A130 WeakPolarHBondContact O-CB 3.46Å; S126-A130 PolarHBondContact O-N 3Å
127A97.4Very high95.7Very high0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-65.1-41.6178.900000112L37 A123 I124 C125 T131 L237 L240 A241L37-A127 HydrophobicContact CD1-CB 3.83Å; A123-A127 WeakPolarHBondContact O-CB 3.43Å; A123-A127 PolarHBondContact O-N 3.48Å; I124-A127 WeakPolarHBondContact O-CB 3.48Å; I124-A127 PolarHBondContact O-N 3Å; C125-A127 VanDerWaalsContact C-N 3.3Å; C125-A127 PolarHBondContact O-N 2.97Å; A127-T131 VanDerWaalsContact O-CG2 3.31Å; A127-T131 WeakPolarHBondContact O-CG2 3.5Å; A127-T131 PolarHBondContact O-N 3.38Å; A127-L237 HydrophobicContact CB-CD1 3.8Å; A127-L240 HydrophobicContact CB-CB 4.08Å; A127-A241 HydrophobicContact CB-CB 4.47Å
128I96.6Very high95.8Very high0 Ų036.1 Ų36.10%018%0.184CC..Hα-helixtrans-63.8-50.7175.9-65.9163.8000110V27 F28 I124 C125 A130 T131 L235 L240 W252 L260 Y264V27-I128 HydrophobicContact CG1-CG2 3.79Å; V27-I128 HydrophobicContact CG2-CB 4.26Å; V27-I128 HydrophobicContact CG2-CD1 4.1Å; V27-I128 HydrophobicContact CG2-CG2 4.22Å; F28-I128 HydrophobicContact CD1-CG2 4.49Å; F28-I128 HydrophobicContact CE1-CG2 4.03Å; F28-I128 VanDerWaalsContact CE1-O 3.28Å; F28-I128 WeakPolarHBondContact CE1-O 3.43Å; F28-I128 HydrophobicContact CE2-CG2 4.11Å; F28-I128 HydrophobicContact CZ-CG2 3.82Å; I124-I128 HydrophobicContact CG2-CD1 3.83Å; I124-I128 HydrophobicContact CG2-CG1 4.3Å; I124-I128 VanDerWaalsContact O-CG1 3.3Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 3.48Å; C125-I128 PolarHBondContact O-N 2.92Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 2.93Å; I128-T131 WeakPolarHBondContact O-CB 3.41Å; I128-T131 PolarHBondContact O-N 3.44Å; I128-T131 PolarHBondContact O-OG1 3.07Å; I128-L235 HydrophobicContact CD1-CD1 3.54Å; I128-L235 HydrophobicContact CG1-CD1 4.19Å; I128-L240 HydrophobicContact CG1-CD1 4.13Å; I128-W252 HydrophobicContact CG1-CH2 4.46Å; I128-W252 HydrophobicContact CG2-CH2 4.27Å; I128-W252 HydrophobicContact CG2-CZ2 4.07Å; I128-L260 HydrophobicContact CD1-CD2 4.41Å; I128-Y264 HydrophobicContact CD1-CD2 4.5Å; I128-Y264 HydrophobicContact CD1-CE2 3.79Å
129A95.4Very high95.8Very high2 Ų233.4 Ų33.42%0.01719%0.186CC..Hα-helixtrans-55.7-42.5179.400000112L32 C125 T131 G132L32-A129 HydrophobicContact CD2-CB 3.64Å; C125-A129 WeakPolarHBondContact O-CB 3.4Å; C125-A129 PolarHBondContact O-N 2.84Å; A129-T131 PolarHBondContact O-N 2.96Å; A129-G132 PolarHBondContact O-N 3.35Å; A129-G132 VanDerWaalsContact O-N 3.07Å
130A95.9Very high95.7Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-62.9-23.117700000114.2L32 S126 I128 G132 V133 L136 M246L32-A130 HydrophobicContact CD2-CB 4.02Å; S126-A130 WeakPolarHBondContact O-CB 3.46Å; S126-A130 PolarHBondContact O-N 3Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 2.93Å; A130-G132 PolarHBondContact O-N 3.06Å; A130-V133 PolarHBondContact O-N 3.22Å; A130-L136 HydrophobicContact CB-CD1 3.96Å; A130-M246 HydrophobicContact CB-CB 3.61Å; A130-M246 HydrophobicContact CB-CG 3.76Å; A130-M246 HydrophobicContact CB-SD 3.78Å
131T95.4Very high95.7Very high1 Ų128.7 Ų28.71%0.00617%0.172CC..Hα-helixtrans-71.3-19.9175.969.70000113.1A127 I128 A129 R248 A250A127-T131 VanDerWaalsContact O-CG2 3.31Å; A127-T131 WeakPolarHBondContact O-CG2 3.5Å; A127-T131 PolarHBondContact O-N 3.38Å; I128-T131 WeakPolarHBondContact O-CB 3.41Å; I128-T131 PolarHBondContact O-N 3.44Å; I128-T131 PolarHBondContact O-OG1 3.07Å; A129-T131 PolarHBondContact O-N 2.96Å; T131-R248 VanDerWaalsContact CG2-O 3.29Å; T131-R248 WeakPolarHBondContact CG2-O 3.44Å; T131-A250 HydrophobicContact CG2-CB 3.88Å
132G93.7Very high95.7Very high17 Ų1726.4 Ų26.418%0.17516%0.163CC..THydrogen-bonded Turntrans-89-2.6175.800000114.5A129 A130 P134A129-G132 PolarHBondContact O-N 3.35Å; A129-G132 VanDerWaalsContact O-N 3.07Å; A130-G132 PolarHBondContact O-N 3.06Å; G132-P134 WeakPolarHBondContact O-CD 3.29Å
133V93.2Very high95.7Very high36 Ų3630.5 Ų30.522%0.21818%0.179CC..  trans-104.3107.7-178.3-178.20000109.2L32 A130 S135 L136 V137L32-V133 HydrophobicContact CD1-CG2 4.39Å; A130-V133 PolarHBondContact O-N 3.22Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 WeakPolarHBondContact CG1-OG 3.48Å; V133-S135 PolarHBondContact O-N 3.45Å; V133-L136 HydrophobicContact CB-CB 4.34Å; V133-L136 HydrophobicContact CB-CD1 4Å; V133-L136 HydrophobicContact CB-CG 4.18Å; V133-L136 HydrophobicContact CG1-CB 4.41Å; V133-L136 HydrophobicContact CG1-CD1 4.1Å; V133-L136 HydrophobicContact CG1-CG 3.93Å; V133-L136 HydrophobicContact CG2-CD1 4.41Å; V133-L136 PolarHBondContact O-N 3.43Å; V133-L136 VanDerWaalsContact O-N 3.16Å; V133-V137 PolarHBondContact O-N 3.09Å
134P93.6Very high95.5Very high63 Ų6330.9 Ų30.941%0.40918%0.181SC..Hα-helixtrans-55.6-40.9-175.4-27.434.2000114G132 L136 V137 M138 L150G132-P134 WeakPolarHBondContact O-CD 3.29Å; P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 3.03Å; P134-V137 PolarHBondContact O-N 3.05Å; P134-V137 VanDerWaalsContact O-N 3.15Å; P134-M138 WeakPolarHBondContact O-CB 3.46Å; P134-M138 WeakPolarHBondContact O-CG 3.42Å; P134-M138 PolarHBondContact O-N 2.96Å; P134-L150 HydrophobicContact CB-CD1 4.1Å; P134-L150 HydrophobicContact CG-CB 4.33Å; P134-L150 HydrophobicContact CG-CD1 4.2Å
135S94.2Very high95.2Very high77 Ų7735.4 Ų35.454%0.53821%0.205SC..Hα-helixtrans-61-39.1-179.457.60000112.7V133 A139V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 WeakPolarHBondContact CG1-OG 3.48Å; V133-S135 PolarHBondContact O-N 3.45Å; S135-A139 WeakPolarHBondContact O-CB 3.33Å; S135-A139 PolarHBondContact O-N 3.18Å
136L95.5Very high95.1Very high50 Ų5044 Ų4426%0.26224%0.238SC..Hα-helixtrans-71.6-35.8176.9-64.2178.6000112L32 A130 V133 P134 A139 R140 M246L32-L136 HydrophobicContact CD1-CD1 3.6Å; A130-L136 HydrophobicContact CB-CD1 3.96Å; V133-L136 HydrophobicContact CB-CB 4.34Å; V133-L136 HydrophobicContact CB-CD1 4Å; V133-L136 HydrophobicContact CB-CG 4.18Å; V133-L136 HydrophobicContact CG1-CB 4.41Å; V133-L136 HydrophobicContact CG1-CD1 4.1Å; V133-L136 HydrophobicContact CG1-CG 3.93Å; V133-L136 HydrophobicContact CG2-CD1 4.41Å; V133-L136 PolarHBondContact O-N 3.43Å; V133-L136 VanDerWaalsContact O-N 3.16Å; P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 3.03Å; L136-A139 PolarHBondContact O-N 3.13Å; L136-R140 PolarHBondContact O-N 3.4Å; L136-R140 VanDerWaalsContact O-N 3.09Å; L136-M246 HydrophobicContact CD1-SD 4.16Å
137V96.2Very high94.9Very high0 Ų044.9 Ų44.90%024%0.243CC..Hα-helixtrans-68.2-41.8177179.30000111.6V133 P134 R140 H142 V144 L150 G247 L249V133-V137 PolarHBondContact O-N 3.09Å; P134-V137 PolarHBondContact O-N 3.05Å; P134-V137 VanDerWaalsContact O-N 3.15Å; V137-R140 PolarHBondContact O-N 3.09Å; V137-H142 HydrophobicContact CG1-CB 3.83Å; V137-H142 PolarHBondContact O-N 2.79Å; V137-V144 HydrophobicContact CG1-CG1 3.71Å; V137-V144 HydrophobicContact CG1-CG2 4.3Å; V137-L150 HydrophobicContact CB-CD1 4.26Å; V137-L150 HydrophobicContact CG1-CD1 4.39Å; V137-L150 HydrophobicContact CG2-CD1 4.35Å; V137-G247 VanDerWaalsContact CA-O 3.3Å; V137-G247 WeakPolarHBondContact CA-O 3.45Å; V137-L249 HydrophobicContact CG1-CB 3.95Å
138M96Very high94.6Very high87 Ų8747.6 Ų47.643%0.42926%0.26SS..Hα-helixtrans-65.7-44.3172.8-71.4179172.900111.9P134 R140 G141 V144P134-M138 WeakPolarHBondContact O-CB 3.46Å; P134-M138 WeakPolarHBondContact O-CG 3.42Å; P134-M138 PolarHBondContact O-N 2.96Å; M138-R140 PolarHBondContact O-N 3.15Å; M138-G141 VanDerWaalsContact O-CA 3.27Å; M138-G141 WeakPolarHBondContact O-CA 2.84Å; M138-G141 PolarHBondContact O-N 3.45Å; M138-V144 HydrophobicContact CE-CG2 3.75Å; M138-V144 HydrophobicContact CG-CG2 3.37Å; M138-V144 HydrophobicContact SD-CG2 4.41Å
139A95.5Very high94.4Very high85 Ų8548.1 Ų48.170%0.70226%0.263SS*.Hα-helixtrans-60.4-33.7178.200000112.6S135 L136 G141S135-A139 WeakPolarHBondContact O-CB 3.33Å; S135-A139 PolarHBondContact O-N 3.18Å; L136-A139 PolarHBondContact O-N 3.13Å; A139-G141 PolarHBondContact O-N 2.95Å
140R94.6Very high94.3Very high58 Ų5849 Ų4922%0.21927%0.267CS..THydrogen-bonded Turntrans-67.6-15.8171.9-169.9168.5-170.8-91.1-16.1113.2L136 V137 M138 H142 P242 G247 R248L136-R140 PolarHBondContact O-N 3.4Å; L136-R140 VanDerWaalsContact O-N 3.09Å; V137-R140 PolarHBondContact O-N 3.09Å; M138-R140 PolarHBondContact O-N 3.15Å; R140-H142 PolarHBondContact NH1-NE2 2.78Å; R140-P242 VanDerWaalsContact NH2-CB 3.27Å; R140-P242 PolarHBondContact NH2-O 3.18Å; R140-G247 WeakPolarHBondContact CB-O 3.45Å; R140-G247 VanDerWaalsContact CD-C 3.41Å; R140-G247 WeakPolarHBondContact CD-O 3.47Å; R140-R248 VanDerWaalsContact NH1-CG 3.27Å
141G95.5Very high94.2Very high20 Ų2049 Ų4921%0.20627%0.268CS..THydrogen-bonded Turntrans94.218.2176.200000114.3M138 A139 K182 K204M138-G141 VanDerWaalsContact O-CA 3.27Å; M138-G141 WeakPolarHBondContact O-CA 2.84Å; M138-G141 PolarHBondContact O-N 3.45Å; A139-G141 PolarHBondContact O-N 2.95Å; G141-K182 PolarHBondContact O-NZ 2.78Å; G141-K204 WeakPolarHBondContact O-CE 3.49Å; G141-K204 PolarHBondContact O-NZ 3.18Å
142H97.4Very high94.2Very high6 Ų649 Ų493%0.02827%0.268CS..  trans-71.4143.6168-72.4-76.2000110.9V137 R140 V144 D179 R205 L249V137-H142 HydrophobicContact CG1-CB 3.83Å; V137-H142 PolarHBondContact O-N 2.79Å; R140-H142 PolarHBondContact NH1-NE2 2.78Å; H142-V144 HydrophobicContact CB-CG1 4.15Å; H142-V144 PolarHBondContact O-N 2.76Å; H142-D179 WeakPolarHBondContact CA-OD1 3.4Å; H142-D179 IonicContact CE1-OD2 3.47Å; H142-D179 IonicContact CG-OD1 2.78Å; H142-D179 IonicContact CG-OD2 2.76Å; H142-D179 IonicContact ND1-OD1 2.64Å; H142-D179 PolarHBondContact ND1-OD1 3.09Å; H142-D179 IonicContact ND1-OD2 3.31Å; H142-D179 PolarHBondContact ND1-OD2 2.72Å; H142-R205 PolarHBondContact CE1-O 3.48Å; H142-L249 HydrophobicContact CB-CB 4.07Å; H142-L249 PolarHBondContact CD2-N 3.37Å; H142-L249 VanDerWaalsContact CD2-N 3.35Å; H142-L249 PolarHBondContact NE2-N 3.31Å
143R95.1Very high94.4Very high126 Ų12648.2 Ų48.248%0.47526%0.259SS..  trans-87.5100.5173.2-65.9-63.8-171.8-163.32.5108.7P178 D179 K182R143-P178 HydrophobicContact CB-CB 4.05Å; R143-D179 HydrophobicContact CB-CB 4.27Å; R143-D179 PolarHBondContact N-OD1 3.47Å; R143-K182 HydrophobicContact CG-CD 4.05Å
144V94Very high94.5Very high7 Ų746.7 Ų46.74%0.04225%0.25CC..  trans-121.85.7-177.1-66.50000113.5V137 M138 H142 R146 V147 L150 L249V137-V144 HydrophobicContact CG1-CG1 3.71Å; V137-V144 HydrophobicContact CG1-CG2 4.3Å; M138-V144 HydrophobicContact CE-CG2 3.75Å; M138-V144 HydrophobicContact CG-CG2 3.37Å; M138-V144 HydrophobicContact SD-CG2 4.41Å; H142-V144 HydrophobicContact CB-CG1 4.15Å; H142-V144 PolarHBondContact O-N 2.76Å; V144-R146 PolarHBondContact O-N 3.2Å; V144-V147 HydrophobicContact CB-CB 4.41Å; V144-V147 HydrophobicContact CB-CG2 4.2Å; V144-V147 HydrophobicContact CG1-CG2 4.33Å; V144-V147 WeakPolarHBondContact O-CB 3.35Å; V144-V147 PolarHBondContact O-N 3.42Å; V144-L150 HydrophobicContact CB-CD1 4.35Å; V144-L150 HydrophobicContact CG1-CD1 4.42Å; V144-L150 HydrophobicContact CG2-CD1 4.36Å; V144-L249 HydrophobicContact CG1-CD1 3.82Å; V144-L249 HydrophobicContact CG1-CD2 3.89Å; V144-L249 HydrophobicContact CG1-CG 4.29Å
145D92Very high94.6Very high109 Ų10944.3 Ų44.358%0.58323%0.234SC*.THydrogen-bonded Turntrans-57.3-29.1-172.5-45.1-42000113.3
146R92.5Very high94.7Very high181 Ų18146.8 Ų46.868%0.68324%0.235SC*.THydrogen-bonded Turntrans-105.4-4.2-179.5-61.4-173.5-179.6179.7-0.8114V144 R175V144-R146 PolarHBondContact O-N 3.2Å; R146-R175 HydrophobicContact CB-CB 3.99Å; R146-R175 WeakPolarHBondContact O-CB 3.36Å; R146-R175 WeakPolarHBondContact O-CD 3.3Å
147V93.2Very high94.6Very high17 Ų1749.9 Ų49.910%0.10325%0.249CC..  trans-70.6133.4-178.9175.70000108.3V144 E149 L150 L152V144-V147 HydrophobicContact CB-CB 4.41Å; V144-V147 HydrophobicContact CB-CG2 4.2Å; V144-V147 HydrophobicContact CG1-CG2 4.33Å; V144-V147 WeakPolarHBondContact O-CB 3.35Å; V144-V147 PolarHBondContact O-N 3.42Å; V147-E149 PolarHBondContact O-N 2.91Å; V147-L150 HydrophobicContact CG1-CD2 4.31Å; V147-L152 HydrophobicContact CG1-CD1 4.24Å; V147-L152 HydrophobicContact CG1-CD2 4.16Å
148P91.1Very high94.6Very high57 Ų5750 Ų5037%0.3725%0.25SC..SBendtrans-67.7-36.5-168.126.9-36.8000113.5Y11 L152Y11-P148 HydrophobicContact CD1-CG 4.1Å; Y11-P148 HydrophobicContact CE1-CB 3.71Å; Y11-P148 HydrophobicContact CE1-CG 3.66Å; Y11-P148 HydrophobicContact CE2-CG 4.12Å; P148-L152 HydrophobicContact CG-CD1 4.1Å
149E91.9Very high94.6Very high11 Ų1146.6 Ų46.65%0.05123%0.233CC..  trans-155.1151.6-178.8179.8164.6-153.100111.5R5 N9 Y11 V147R5-E149 WeakPolarHBondContact CD-OE1 3.37Å; R5-E149 IonicContact CZ-OE1 3.41Å; R5-E149 IonicContact NE-OE1 3.5Å; R5-E149 IonicContact NH1-OE1 2.67Å; R5-E149 PolarHBondContact NH1-OE1 2.86Å; N9-E149 PolarHBondContact N-OE2 3.37Å; Y11-E149 HydrophobicContact CE2-CB 4.15Å; V147-E149 PolarHBondContact O-N 2.91Å
150L92.9Very high94.6Very high20 Ų2045.7 Ų45.711%0.10522%0.221CC..SBendtrans-127.3133.8167.2-67.8174.7000109.2P134 V137 V144 V147 L152 L249P134-L150 HydrophobicContact CB-CD1 4.1Å; P134-L150 HydrophobicContact CG-CB 4.33Å; P134-L150 HydrophobicContact CG-CD1 4.2Å; V137-L150 HydrophobicContact CB-CD1 4.26Å; V137-L150 HydrophobicContact CG1-CD1 4.39Å; V137-L150 HydrophobicContact CG2-CD1 4.35Å; V144-L150 HydrophobicContact CB-CD1 4.35Å; V144-L150 HydrophobicContact CG1-CD1 4.42Å; V144-L150 HydrophobicContact CG2-CD1 4.36Å; V147-L150 HydrophobicContact CG1-CD2 4.31Å; L150-L152 HydrophobicContact CD2-CB 4.44Å; L150-L249 HydrophobicContact CD2-CD1 3.66Å
151P94.8Very high94.6Very high2 Ų244 Ų441%0.01322%0.216CC..SBendcis-63.8137.9-3.3-15.829.4000113.1V8 M24 F28 F257V8-P151 WeakPolarHBondContact CG1-O 3.5Å; M24-P151 HydrophobicContact CE-CG 4.18Å; M24-P151 HydrophobicContact SD-CG 4.09Å; F28-P151 HydrophobicContact CD1-CG 3.81Å; F28-P151 HydrophobicContact CE1-CB 4.01Å; F28-P151 HydrophobicContact CE1-CG 3.35Å; F28-P151 HydrophobicContact CE2-CG 4.24Å; F28-P151 HydrophobicContact CG-CG 4.42Å; F28-P151 HydrophobicContact CZ-CB 3.93Å; F28-P151 HydrophobicContact CZ-CG 3.6Å; P151-F257 HydrophobicContact CB-CE2 3.94Å; P151-F257 HydrophobicContact CB-CZ 4.35Å; P151-F257 HydrophobicContact CG-CE2 4.29Å; P151-F257 HydrophobicContact CG-CZ 4.36Å
152L95.5Very high94.6Very high1 Ų150.8 Ų50.81%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-84120.1179.6-175.166.4000110.4Y11 V147 P148 L150 L154 I174 I251 W252Y11-L152 HydrophobicContact CD2-CD1 3.99Å; Y11-L152 HydrophobicContact CE2-CD1 4.34Å; V147-L152 HydrophobicContact CG1-CD1 4.24Å; V147-L152 HydrophobicContact CG1-CD2 4.16Å; P148-L152 HydrophobicContact CG-CD1 4.1Å; L150-L152 HydrophobicContact CD2-CB 4.44Å; L152-L154 HydrophobicContact CD1-CD2 4.47Å; L152-L154 HydrophobicContact CG-CD2 4.28Å; L152-I174 HydrophobicContact CD2-CB 4.25Å; L152-I174 HydrophobicContact CD2-CD1 3.89Å; L152-I174 HydrophobicContact CD2-CG1 4.29Å; L152-I251 HydrophobicContact CD2-CG1 4.18Å; L152-I251 HydrophobicContact CD2-CG2 4.3Å; L152-W252 PolarHBondContact O-N 3.49Å
153V97.1Very high94.6Very high0 Ų057.5 Ų57.50%027%0.269CS..EExtended strand (participates in β ladder)trans-117.7126.9178.9-173.80000110.2V8 V10 Y11 I22 W252 D254 F257V8-V153 HydrophobicContact CG1-CB 4.42Å; V8-V153 HydrophobicContact CG1-CG2 3.76Å; V10-V153 HydrophobicContact CG2-CG1 4.22Å; Y11-V153 PolarHBondContact N-O 3.45Å; I22-V153 HydrophobicContact CD1-CG1 3.8Å; V153-W252 CarbonylContact C-O 3.6Å; V153-W252 WeakPolarHBondContact CA-O 3.38Å; V153-W252 HydrophobicContact CG2-CB 4.31Å; V153-D254 HydrophobicContact CG1-CB 4.23Å; V153-F257 HydrophobicContact CG1-CB 4.21Å; V153-F257 HydrophobicContact CG1-CG 4.48Å; V153-F257 HydrophobicContact CG2-CB 4.3Å; V153-F257 HydrophobicContact CG2-CD1 3.96Å; V153-F257 HydrophobicContact CG2-CD2 3.71Å; V153-F257 HydrophobicContact CG2-CE1 4.1Å; V153-F257 HydrophobicContact CG2-CE2 3.88Å; V153-F257 HydrophobicContact CG2-CG 3.74Å; V153-F257 HydrophobicContact CG2-CZ 4.07Å
154L96.4Very high94.7Very high3 Ų353.6 Ų53.62%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-108155.7178-53.8-176.8000111.6Y11 L152 V158 V170 I174 I251 W252 S253 D254Y11-L154 CarbonylContact O-C 3.54Å; Y11-L154 VanDerWaalsContact O-CA 3.26Å; Y11-L154 WeakPolarHBondContact O-CA 2.95Å; L152-L154 HydrophobicContact CD1-CD2 4.47Å; L152-L154 HydrophobicContact CG-CD2 4.28Å; L154-V158 HydrophobicContact CB-CB 4.45Å; L154-V158 HydrophobicContact CB-CG2 3.67Å; L154-V158 HydrophobicContact CD1-CG1 4.36Å; L154-V158 HydrophobicContact CD1-CG2 3.9Å; L154-V158 HydrophobicContact CG-CG2 4.42Å; L154-V170 HydrophobicContact CD1-CG1 3.91Å; L154-I174 HydrophobicContact CD1-CD1 4.11Å; L154-I174 HydrophobicContact CD1-CG2 4.35Å; L154-I174 HydrophobicContact CD2-CG2 3.58Å; L154-I251 HydrophobicContact CD1-CG2 3.45Å; L154-I251 VanDerWaalsContact CD1-CG2 3.45Å; L154-I251 HydrophobicContact CG-CG2 3.78Å; L154-W252 PolarHBondContact N-O 3.18Å; L154-S253 CarbonylContact O-C 3.58Å; L154-D254 PolarHBondContact O-N 3.03Å
155S96Very high94.9Very high13 Ų1361.2 Ų61.29%0.09129%0.292CS..  trans-56.6156.8176.370.60000112Y11 E157 V158Y11-S155 PolarHBondContact O-N 3.13Å; S155-E157 PolarHBondContact O-N 3.42Å; S155-E157 VanDerWaalsContact O-N 3.13Å; S155-E157 PolarHBondContact OG-OE2 2.84Å; S155-V158 PolarHBondContact O-N 2.9Å
156K94.8Very high95.1Very high129 Ų12958.7 Ų58.756%0.56128%0.278SS*.G310 helixtrans-60-23.6179.5-59.9-178.1-169.2165.80112.8V158 E159 D254K156-V158 PolarHBondContact O-N 2.94Å; K156-V158 VanDerWaalsContact O-N 3.15Å; K156-E159 WeakPolarHBondContact O-CB 3.48Å; K156-E159 PolarHBondContact O-N 3.11Å; K156-D254 WeakPolarHBondContact CE-OD2 3.37Å; K156-D254 HydrophobicContact CG-CB 4.13Å; K156-D254 WeakPolarHBondContact CG-OD2 3.18Å; K156-D254 IonicContact NZ-OD2 3.52Å
157E94.6Very high95.3Very high116 Ų11650 Ų5054%0.54225%0.246SC..G310 helixtrans-57.5-25.6177.3-60.1168.716400112.8V13 S155 E159 S160V13-E157 HydrophobicContact CG2-CB 3.73Å; V13-E157 WeakPolarHBondContact CG2-OE2 3.48Å; S155-E157 PolarHBondContact O-N 3.42Å; S155-E157 VanDerWaalsContact O-N 3.13Å; S155-E157 PolarHBondContact OG-OE2 2.84Å; E157-E159 PolarHBondContact O-N 2.79Å; E157-S160 PolarHBondContact O-N 2.88Å; E157-S160 VanDerWaalsContact O-N 3.16Å; E157-S160 PolarHBondContact O-OG 3.39Å
158V95.4Very high95.5Very high3 Ų350.7 Ų50.72%0.01825%0.25CC..G310 helixtrans-61.9-25.7175.1178.50000112V13 L154 S155 K156 S160 L161 V170 I217 F221V13-V158 HydrophobicContact CG2-CG2 4.07Å; L154-V158 HydrophobicContact CB-CB 4.45Å; L154-V158 HydrophobicContact CB-CG2 3.67Å; L154-V158 HydrophobicContact CD1-CG1 4.36Å; L154-V158 HydrophobicContact CD1-CG2 3.9Å; L154-V158 HydrophobicContact CG-CG2 4.42Å; S155-V158 PolarHBondContact O-N 2.9Å; K156-V158 PolarHBondContact O-N 2.94Å; K156-V158 VanDerWaalsContact O-N 3.15Å; V158-S160 VanDerWaalsContact C-N 3.33Å; V158-L161 HydrophobicContact CB-CD1 4.43Å; V158-L161 HydrophobicContact CG1-CD1 4.08Å; V158-V170 HydrophobicContact CG2-CG1 4.45Å; V158-I217 HydrophobicContact CG1-CD1 4.11Å; V158-F221 HydrophobicContact CG1-CE2 4.05Å; V158-F221 HydrophobicContact CG1-CZ 4.13Å
159E95.9Very high95.7Very high15 Ų1554.7 Ų54.77%0.0726%0.261CS..G310 helixtrans-71.5-25.6178.5-57.8-165.5148.400113.2K156 E157 Y211 K212 D215 I217 S253 S255K156-E159 WeakPolarHBondContact O-CB 3.48Å; K156-E159 PolarHBondContact O-N 3.11Å; E157-E159 PolarHBondContact O-N 2.79Å; E159-Y211 WeakPolarHBondContact OE1-CA 3.32Å; E159-Y211 WeakPolarHBondContact OE1-CB 3.39Å; E159-K212 PolarHBondContact OE1-N 3.33Å; E159-D215 CarbonylContact O-C 3.44Å; E159-D215 PolarHBondContact O-N 3.5Å; E159-I217 WeakPolarHBondContact O-CB 3.43Å; E159-I217 PolarHBondContact O-N 3.06Å; E159-S253 VanDerWaalsContact OE1-CB 3.31Å; E159-S253 WeakPolarHBondContact OE1-CB 3.35Å; E159-S253 PolarHBondContact OE1-OG 2.98Å; E159-S255 PolarHBondContact OE1-OG 2.8Å; E159-S255 PolarHBondContact OE2-OG 3.26Å
160S95.9Very high96Very high66 Ų6654.2 Ų54.246%0.46226%0.259SS..G310 helixtrans-96.92-177.261.60000114.1E157 V158 K162E157-S160 PolarHBondContact O-N 2.88Å; E157-S160 VanDerWaalsContact O-N 3.16Å; E157-S160 PolarHBondContact O-OG 3.39Å; V158-S160 VanDerWaalsContact C-N 3.33Å; S160-K162 PolarHBondContact O-N 3.03Å
161L95.6Very high96.1Very high21 Ų2153.3 Ų53.311%0.1125%0.254CS..  trans-60.9127.7176.1-66174.7000110.8V158 D166 V170 G216 I217 A220 F221V158-L161 HydrophobicContact CB-CD1 4.43Å; V158-L161 HydrophobicContact CG1-CD1 4.08Å; L161-D166 HydrophobicContact CD2-CB 4.03Å; L161-V170 HydrophobicContact CD1-CG2 3.9Å; L161-G216 CarbonylContact O-C 3.6Å; L161-G216 VanDerWaalsContact O-O 3.07Å; L161-I217 PolarHBondContact O-N 3.41Å; L161-A220 HydrophobicContact CB-CB 4.08Å; L161-A220 VanDerWaalsContact O-CB 3.29Å; L161-A220 WeakPolarHBondContact O-CB 3.29Å; L161-F221 HydrophobicContact CD1-CE2 4.01Å; L161-F221 HydrophobicContact CD1-CZ 4.29Å
162K95.5Very high96.2Very high163 Ų16358.9 Ų58.971%0.70928%0.278SS*.  trans-103.2-35.8-177.5-62.5-176.7-178176.30113.7S160S160-K162 PolarHBondContact O-N 3.03Å
163K97.2Very high96.2Very high147 Ų14760.6 Ų60.664%0.63929%0.292SS*.  trans-102.9144.5-173.9-60178.5178.4175.80111.6K165 D166 A167K163-K165 VanDerWaalsContact C-N 3.28Å; K163-K165 PolarHBondContact O-N 2.93Å; K163-D166 WeakPolarHBondContact CB-OD2 3.43Å; K163-D166 PolarHBondContact O-N 2.79Å; K163-A167 PolarHBondContact O-N 3.35Å
164T97.5Very high96.1Very high45 Ų4560.7 Ų60.728%0.27629%0.293SS..Hα-helixtrans-65.3-31.2175.8-53.70000112.6D166 A167 V168 A220 N223 I224T164-D166 VanDerWaalsContact C-N 3.25Å; T164-D166 PolarHBondContact O-N 3.5Å; T164-A167 PolarHBondContact O-N 3.22Å; T164-V168 HydrophobicContact CG2-CG2 4.39Å; T164-V168 WeakPolarHBondContact O-CG2 3.44Å; T164-V168 PolarHBondContact O-N 3.16Å; T164-A220 WeakPolarHBondContact CA-O 3.41Å; T164-A220 WeakPolarHBondContact CB-O 3.5Å; T164-A220 PolarHBondContact OG1-O 3.46Å; T164-N223 HydrophobicContact CG2-CB 4.46Å; T164-I224 HydrophobicContact CG2-CD1 4.22Å; T164-I224 HydrophobicContact CG2-CG1 3.79Å
165K97.1Very high96Very high166 Ų16667.6 Ų67.672%0.72232%0.319SS*.Hα-helixtrans-56.8-42.4174.8-67-170.5-179.7-177.20111.1K163 V168 K169K163-K165 VanDerWaalsContact C-N 3.28Å; K163-K165 PolarHBondContact O-N 2.93Å; K165-V168 PolarHBondContact O-N 3.26Å; K165-K169 WeakPolarHBondContact O-CG 3.3Å; K165-K169 PolarHBondContact O-N 3.09Å
166D96.1Very high96Very high56 Ų5667 Ų6730%0.29931%0.314SS..Hα-helixtrans-71.8-42-179.3-53.1-30.3000111L161 K163 T164 V168 K169 V170L161-D166 HydrophobicContact CD2-CB 4.03Å; K163-D166 WeakPolarHBondContact CB-OD2 3.43Å; K163-D166 PolarHBondContact O-N 2.79Å; T164-D166 VanDerWaalsContact C-N 3.25Å; T164-D166 PolarHBondContact O-N 3.5Å; D166-V168 VanDerWaalsContact C-N 3.28Å; D166-V168 PolarHBondContact O-N 2.87Å; D166-K169 WeakPolarHBondContact O-CB 3.11Å; D166-K169 PolarHBondContact O-N 3.49Å; D166-K169 VanDerWaalsContact O-N 3.09Å; D166-V170 WeakPolarHBondContact O-CG2 3.35Å; D166-V170 PolarHBondContact O-N 3.15Å
167A96.7Very high96Very high0 Ų063.1 Ų63.10%030%0.297CS..Hα-helixtrans-57.6-40172.900000112.7K163 T164 V170 L171 A220 F221 I224K163-A167 PolarHBondContact O-N 3.35Å; T164-A167 PolarHBondContact O-N 3.22Å; A167-V170 PolarHBondContact O-N 2.87Å; A167-L171 WeakPolarHBondContact O-CG 3.47Å; A167-L171 PolarHBondContact O-N 3.24Å; A167-L171 VanDerWaalsContact O-N 3.11Å; A167-A220 HydrophobicContact CB-CB 4.17Å; A167-F221 HydrophobicContact CB-CD1 3.95Å; A167-F221 HydrophobicContact CB-CD2 4.02Å; A167-F221 HydrophobicContact CB-CE1 3.82Å; A167-F221 HydrophobicContact CB-CE2 3.91Å; A167-F221 HydrophobicContact CB-CG 4.06Å; A167-F221 HydrophobicContact CB-CZ 3.8Å; A167-I224 HydrophobicContact CB-CD1 4Å
168V97.2Very high96.1Very high30 Ų3059.8 Ų59.818%0.18229%0.285CS..Hα-helixtrans-65.5-41.6174.8169.10000111.5T164 K165 D166 V170 L171 K172 W177 I224T164-V168 HydrophobicContact CG2-CG2 4.39Å; T164-V168 WeakPolarHBondContact O-CG2 3.44Å; T164-V168 PolarHBondContact O-N 3.16Å; K165-V168 PolarHBondContact O-N 3.26Å; D166-V168 VanDerWaalsContact C-N 3.28Å; D166-V168 PolarHBondContact O-N 2.87Å; V168-V170 VanDerWaalsContact C-N 3.33Å; V168-V170 PolarHBondContact O-N 3.13Å; V168-L171 PolarHBondContact O-N 3.38Å; V168-K172 HydrophobicContact CG1-CD 4.28Å; V168-K172 WeakPolarHBondContact O-CG 3.47Å; V168-K172 PolarHBondContact O-N 3.46Å; V168-W177 HydrophobicContact CB-CZ3 4.24Å; V168-W177 HydrophobicContact CG1-CE3 4.27Å; V168-W177 HydrophobicContact CG1-CH2 3.69Å; V168-W177 HydrophobicContact CG1-CZ2 4.44Å; V168-W177 HydrophobicContact CG1-CZ3 3.61Å; V168-W177 HydrophobicContact CG2-CH2 4.19Å; V168-W177 HydrophobicContact CG2-CZ3 4.01Å; V168-I224 HydrophobicContact CG2-CD1 3.81Å; V168-I224 HydrophobicContact CG2-CG1 4.27Å
169K96.8Very high96.2Very high142 Ų14259.7 Ų59.762%0.61728%0.284SS*.Hα-helixtrans-58.3-45.5175.5-73.2177.6179.4-179.60111.2K165 D166 L171 K172 A173K165-K169 WeakPolarHBondContact O-CG 3.3Å; K165-K169 PolarHBondContact O-N 3.09Å; D166-K169 WeakPolarHBondContact O-CB 3.11Å; D166-K169 PolarHBondContact O-N 3.49Å; D166-K169 VanDerWaalsContact O-N 3.09Å; K169-L171 PolarHBondContact O-N 3Å; K169-K172 PolarHBondContact O-N 3.46Å; K169-A173 WeakPolarHBondContact O-CB 3.32Å; K169-A173 PolarHBondContact O-N 2.86Å
170V96.1Very high96.2Very high1 Ų159 Ų591%0.00628%0.281CS..Hα-helixtrans-59.1-48.5176.5176.60000111.8V13 L154 V158 L161 D166 A167 V168 K172 A173 I174V13-V170 HydrophobicContact CB-CG2 4.25Å; V13-V170 HydrophobicContact CG1-CG2 3.32Å; L154-V170 HydrophobicContact CD1-CG1 3.91Å; V158-V170 HydrophobicContact CG2-CG1 4.45Å; L161-V170 HydrophobicContact CD1-CG2 3.9Å; D166-V170 WeakPolarHBondContact O-CG2 3.35Å; D166-V170 PolarHBondContact O-N 3.15Å; A167-V170 PolarHBondContact O-N 2.87Å; V168-V170 VanDerWaalsContact C-N 3.33Å; V168-V170 PolarHBondContact O-N 3.13Å; V170-K172 VanDerWaalsContact C-N 3.25Å; V170-K172 PolarHBondContact O-N 2.74Å; V170-A173 WeakPolarHBondContact O-CB 3.48Å; V170-A173 PolarHBondContact O-N 3.46Å; V170-A173 VanDerWaalsContact O-N 3.14Å; V170-I174 HydrophobicContact CG1-CG2 4.32Å; V170-I174 WeakPolarHBondContact O-CG1 3.43Å; V170-I174 WeakPolarHBondContact O-CG2 3.19Å; V170-I174 PolarHBondContact O-N 3.29Å
171L96.2Very high96.3Very high1 Ų160.2 Ų60.21%0.00528%0.279CS..Hα-helixtrans-63.1-31.6-179.5-68.4171000113.1A167 V168 K169 I174 A176 W177 I180 F221 I224 I227 I251A167-L171 WeakPolarHBondContact O-CG 3.47Å; A167-L171 PolarHBondContact O-N 3.24Å; A167-L171 VanDerWaalsContact O-N 3.11Å; V168-L171 PolarHBondContact O-N 3.38Å; K169-L171 PolarHBondContact O-N 3Å; L171-I174 HydrophobicContact CD2-CD1 3.97Å; L171-A176 HydrophobicContact CD2-CB 4.42Å; L171-A176 PolarHBondContact O-N 3.17Å; L171-W177 HydrophobicContact CB-CE3 4.22Å; L171-W177 PolarHBondContact O-N 2.95Å; L171-I180 HydrophobicContact CD1-CG1 4.4Å; L171-F221 HydrophobicContact CD1-CD1 4.4Å; L171-F221 HydrophobicContact CD1-CE1 4.08Å; L171-F221 HydrophobicContact CD2-CE1 4.17Å; L171-F221 HydrophobicContact CG-CE1 4.05Å; L171-I224 HydrophobicContact CD1-CD1 3.76Å; L171-I224 HydrophobicContact CD1-CG2 4.49Å; L171-I227 HydrophobicContact CD1-CD1 3.4Å; L171-I227 VanDerWaalsContact CD1-CD1 3.4Å; L171-I227 HydrophobicContact CD2-CD1 4.5Å; L171-I251 HydrophobicContact CD2-CD1 3.89Å
172K96.3Very high96.3Very high119 Ų11962.6 Ų62.652%0.51729%0.289SS..Hα-helixtrans-71.1-45.9172.3-73.1179.6176-173.20111.3V168 K169 V170 I174 R175 W177V168-K172 HydrophobicContact CG1-CD 4.28Å; V168-K172 WeakPolarHBondContact O-CG 3.47Å; V168-K172 PolarHBondContact O-N 3.46Å; K169-K172 PolarHBondContact O-N 3.46Å; V170-K172 VanDerWaalsContact C-N 3.25Å; V170-K172 PolarHBondContact O-N 2.74Å; K172-I174 PolarHBondContact O-N 3.19Å; K172-R175 WeakPolarHBondContact O-CA 3.33Å; K172-R175 PolarHBondContact O-N 3.21Å; K172-W177 HydrophobicContact CG-CB 3.89Å; K172-W177 HydrophobicContact CG-CD2 3.85Å; K172-W177 HydrophobicContact CG-CE3 4.12Å; K172-W177 HydrophobicContact CG-CG 3.75Å
173A95.7Very high96.4Very high36 Ų3654.9 Ų54.930%0.29826%0.255SS..Hα-helixtrans-60.1-44.3-179.800000112.7N14 K169 V170 R175N14-A173 WeakPolarHBondContact O-CB 3.4Å; K169-A173 WeakPolarHBondContact O-CB 3.32Å; K169-A173 PolarHBondContact O-N 2.86Å; V170-A173 WeakPolarHBondContact O-CB 3.48Å; V170-A173 PolarHBondContact O-N 3.46Å; V170-A173 VanDerWaalsContact O-N 3.14Å; A173-R175 PolarHBondContact O-N 3.3Å
174I94.5Very high96.5Very high3 Ų352.6 Ų52.62%0.01524%0.243CC..THydrogen-bonded Turntrans-78.34.9176.873.4-172.8000113.3L152 L154 V170 L171 K172 A176 I251L152-I174 HydrophobicContact CD2-CB 4.25Å; L152-I174 HydrophobicContact CD2-CD1 3.89Å; L152-I174 HydrophobicContact CD2-CG1 4.29Å; L154-I174 HydrophobicContact CD1-CD1 4.11Å; L154-I174 HydrophobicContact CD1-CG2 4.35Å; L154-I174 HydrophobicContact CD2-CG2 3.58Å; V170-I174 HydrophobicContact CG1-CG2 4.32Å; V170-I174 WeakPolarHBondContact O-CG1 3.43Å; V170-I174 WeakPolarHBondContact O-CG2 3.19Å; V170-I174 PolarHBondContact O-N 3.29Å; L171-I174 HydrophobicContact CD2-CD1 3.97Å; K172-I174 PolarHBondContact O-N 3.19Å; I174-A176 HydrophobicContact CD1-CB 3.93Å; I174-A176 HydrophobicContact CG1-CB 3.73Å; I174-A176 PolarHBondContact O-N 3.23Å; I174-I251 HydrophobicContact CD1-CD1 3.9Å
175R95Very high96.5Very high147 Ų14757.4 Ų57.456%0.55527%0.267SS*.THydrogen-bonded Turntrans60.424.8178.9-55.1168175.7-178.20.7114.5R146 K172 A173 P178R146-R175 HydrophobicContact CB-CB 3.99Å; R146-R175 WeakPolarHBondContact O-CB 3.36Å; R146-R175 WeakPolarHBondContact O-CD 3.3Å; K172-R175 WeakPolarHBondContact O-CA 3.33Å; K172-R175 PolarHBondContact O-N 3.21Å; A173-R175 PolarHBondContact O-N 3.3Å; R175-P178 WeakPolarHBondContact O-CD 2.94Å
176A95Very high96.5Very high0 Ų051.2 Ų51.20%025%0.245CC..  trans-88.4-8.3174.900000113.5L171 I174 P178 D179L171-A176 HydrophobicContact CD2-CB 4.42Å; L171-A176 PolarHBondContact O-N 3.17Å; I174-A176 HydrophobicContact CD1-CB 3.93Å; I174-A176 HydrophobicContact CG1-CB 3.73Å; I174-A176 PolarHBondContact O-N 3.23Å; A176-P178 VanDerWaalsContact C-CD 3.41Å; A176-D179 PolarHBondContact O-N 3.25Å; A176-D179 VanDerWaalsContact O-N 3.11Å
177W96.3Very high96.5Very high49 Ų4953 Ų5319%0.18625%0.251CS..Hα-helixtrans-55.4-37.5178.7-167.5-107.9000115.2V168 L171 K172 D179 I180 Q181 Y184V168-W177 HydrophobicContact CB-CZ3 4.24Å; V168-W177 HydrophobicContact CG1-CE3 4.27Å; V168-W177 HydrophobicContact CG1-CH2 3.69Å; V168-W177 HydrophobicContact CG1-CZ2 4.44Å; V168-W177 HydrophobicContact CG1-CZ3 3.61Å; V168-W177 HydrophobicContact CG2-CH2 4.19Å; V168-W177 HydrophobicContact CG2-CZ3 4.01Å; L171-W177 HydrophobicContact CB-CE3 4.22Å; L171-W177 PolarHBondContact O-N 2.95Å; K172-W177 HydrophobicContact CG-CB 3.89Å; K172-W177 HydrophobicContact CG-CD2 3.85Å; K172-W177 HydrophobicContact CG-CE3 4.12Å; K172-W177 HydrophobicContact CG-CG 3.75Å; W177-D179 PolarHBondContact O-N 3.24Å; W177-I180 HydrophobicContact CE3-CB 4.17Å; W177-I180 HydrophobicContact CE3-CG1 4.38Å; W177-I180 HydrophobicContact CE3-CG2 4.23Å; W177-I180 HydrophobicContact CH2-CG2 4.28Å; W177-I180 HydrophobicContact CZ3-CB 4.41Å; W177-I180 HydrophobicContact CZ3-CG2 3.97Å; W177-I180 CarbonylContact O-C 3.58Å; W177-I180 WeakPolarHBondContact O-CA 3.28Å; W177-I180 WeakPolarHBondContact O-CB 3.18Å; W177-I180 PolarHBondContact O-N 2.73Å; W177-Q181 HydrophobicContact CG-CG 4.47Å; W177-Q181 PolarHBondContact O-N 3.25Å; W177-Y184 HydrophobicContact CH2-CE2 4.48Å
178P96.3Very high96.6Very high46 Ų4661.4 Ų61.430%0.29928%0.283SS..Hα-helixtrans-57.6-31.8175.4-27.337.2000113.8R143 R175 A176 K182R143-P178 HydrophobicContact CB-CB 4.05Å; R175-P178 WeakPolarHBondContact O-CD 2.94Å; A176-P178 VanDerWaalsContact C-CD 3.41Å; P178-K182 PolarHBondContact O-N 3.35Å; P178-K182 VanDerWaalsContact O-N 3.09Å
179D96.8Very high96.6Very high0 Ų065.6 Ų65.60%030%0.299CS..Hα-helixtrans-71-34.1175.5-165.350.2000111.8H142 R143 A176 W177 K182 V183 K204 P207 L249H142-D179 WeakPolarHBondContact CA-OD1 3.4Å; H142-D179 IonicContact CE1-OD2 3.47Å; H142-D179 IonicContact CG-OD1 2.78Å; H142-D179 IonicContact CG-OD2 2.76Å; H142-D179 IonicContact ND1-OD1 2.64Å; H142-D179 PolarHBondContact ND1-OD1 3.09Å; H142-D179 IonicContact ND1-OD2 3.31Å; H142-D179 PolarHBondContact ND1-OD2 2.72Å; R143-D179 HydrophobicContact CB-CB 4.27Å; R143-D179 PolarHBondContact N-OD1 3.47Å; A176-D179 PolarHBondContact O-N 3.25Å; A176-D179 VanDerWaalsContact O-N 3.11Å; W177-D179 PolarHBondContact O-N 3.24Å; D179-K182 PolarHBondContact O-N 2.64Å; D179-V183 PolarHBondContact O-N 2.87Å; D179-K204 IonicContact OD1-NZ 2.87Å; D179-K204 PolarHBondContact OD1-NZ 3.01Å; D179-P207 VanDerWaalsContact OD2-CD 3.32Å; D179-P207 WeakPolarHBondContact OD2-CD 3.49Å; D179-L249 HydrophobicContact CB-CD2 4.43Å
180I97.2Very high96.6Very high0 Ų063.7 Ų63.70%029%0.288CS..Hα-helixtrans-70.3-42.4173.7-58.1-62.2000111.2L171 W177 K182 V183 Y184 P207 I224 I227L171-I180 HydrophobicContact CD1-CG1 4.4Å; W177-I180 HydrophobicContact CE3-CB 4.17Å; W177-I180 HydrophobicContact CE3-CG1 4.38Å; W177-I180 HydrophobicContact CE3-CG2 4.23Å; W177-I180 HydrophobicContact CH2-CG2 4.28Å; W177-I180 HydrophobicContact CZ3-CB 4.41Å; W177-I180 HydrophobicContact CZ3-CG2 3.97Å; W177-I180 CarbonylContact O-C 3.58Å; W177-I180 WeakPolarHBondContact O-CA 3.28Å; W177-I180 WeakPolarHBondContact O-CB 3.18Å; W177-I180 PolarHBondContact O-N 2.73Å; I180-K182 PolarHBondContact O-N 3.03Å; I180-V183 WeakPolarHBondContact O-CA 3.48Å; I180-V183 VanDerWaalsContact O-CB 3.26Å; I180-V183 WeakPolarHBondContact O-CB 3.11Å; I180-V183 PolarHBondContact O-N 3.31Å; I180-Y184 HydrophobicContact CG2-CD2 3.95Å; I180-Y184 HydrophobicContact CG2-CE2 3.64Å; I180-Y184 WeakPolarHBondContact O-CD2 3.37Å; I180-Y184 PolarHBondContact O-N 3.46Å; I180-P207 VanDerWaalsContact CD1-CD 3.42Å; I180-P207 HydrophobicContact CD1-CG 3.94Å; I180-I224 HydrophobicContact CD1-CG2 4.33Å; I180-I224 HydrophobicContact CG2-CG2 3.96Å; I180-I227 HydrophobicContact CD1-CD1 3.83Å; I180-I227 HydrophobicContact CD1-CG1 3.57Å
181Q96.9Very high96.7Very high93 Ų9368.2 Ų68.244%0.43533%0.325SS..Hα-helixtrans-57.8-40.3173.5-71.2177-6600111.2W177 V183 Y184 N185W177-Q181 HydrophobicContact CG-CG 4.47Å; W177-Q181 PolarHBondContact O-N 3.25Å; Q181-V183 PolarHBondContact O-N 3.03Å; Q181-Y184 PolarHBondContact O-N 2.63Å; Q181-Y184 VanDerWaalsContact O-N 3.17Å; Q181-N185 PolarHBondContact O-N 3Å; Q181-N185 PolarHBondContact O-OD1 2.91Å
182K96.8Very high96.7Very high71 Ų7170.6 Ų70.631%0.30935%0.351SS..Hα-helixtrans-62.9-26.9172.9-171.6166.6173-176.30112.8G141 R143 P178 D179 I180 S186 K204G141-K182 PolarHBondContact O-NZ 2.78Å; R143-K182 HydrophobicContact CG-CD 4.05Å; P178-K182 PolarHBondContact O-N 3.35Å; P178-K182 VanDerWaalsContact O-N 3.09Å; D179-K182 PolarHBondContact O-N 2.64Å; I180-K182 PolarHBondContact O-N 3.03Å; K182-S186 WeakPolarHBondContact O-CB 3.39Å; K182-S186 PolarHBondContact O-N 2.6Å; K182-S186 PolarHBondContact O-OG 3.12Å; K182-K204 HydrophobicContact CD-CD 4.24Å; K182-K204 HydrophobicContact CG-CD 3.88Å
183V97.9Very high96.8Very high0 Ų071.9 Ų71.90%036%0.356CS..Hα-helixtrans-70.1-50170.61780000110.7D179 I180 Q181 N185 S186 Q203 K204 P225D179-V183 PolarHBondContact O-N 2.87Å; I180-V183 WeakPolarHBondContact O-CA 3.48Å; I180-V183 VanDerWaalsContact O-CB 3.26Å; I180-V183 WeakPolarHBondContact O-CB 3.11Å; I180-V183 PolarHBondContact O-N 3.31Å; Q181-V183 PolarHBondContact O-N 3.03Å; V183-N185 VanDerWaalsContact C-N 3.34Å; V183-N185 PolarHBondContact O-N 2.74Å; V183-S186 PolarHBondContact O-N 2.83Å; V183-S186 PolarHBondContact O-OG 2.85Å; V183-Q203 HydrophobicContact CG1-CB 4.37Å; V183-Q203 HydrophobicContact CG1-CG 4.43Å; V183-K204 HydrophobicContact CG2-CB 4.26Å; V183-P225 HydrophobicContact CG1-CB 3.97Å
184Y97.5Very high96.8Very high100 Ų10070.9 Ų70.939%0.39235%0.349SS..Hα-helixtrans-53.7-50.4177.9-79.1-74.8000111.5W177 I180 Q181 S186 Q187 P225W177-Y184 HydrophobicContact CH2-CE2 4.48Å; I180-Y184 HydrophobicContact CG2-CD2 3.95Å; I180-Y184 HydrophobicContact CG2-CE2 3.64Å; I180-Y184 WeakPolarHBondContact O-CD2 3.37Å; I180-Y184 PolarHBondContact O-N 3.46Å; Q181-Y184 PolarHBondContact O-N 2.63Å; Q181-Y184 VanDerWaalsContact O-N 3.17Å; Y184-S186 PolarHBondContact O-N 3.09Å; Y184-S186 VanDerWaalsContact O-N 3.1Å; Y184-Q187 WeakPolarHBondContact O-CB 3.32Å; Y184-Q187 WeakPolarHBondContact O-CG 3.15Å; Y184-Q187 PolarHBondContact O-N 3.46Å; Y184-P225 HydrophobicContact CD1-CG 4.33Å; Y184-P225 HydrophobicContact CE1-CG 3.63Å; Y184-P225 HydrophobicContact CE2-CG 4.48Å; Y184-P225 VanDerWaalsContact OH-CD 3.28Å; Y184-P225 WeakPolarHBondContact OH-CD 3.33Å
185N97.4Very high96.9Very high146 Ų14676 Ų7678%0.78137%0.371SS*.THydrogen-bonded Turntrans-67-15.4-179-61.9-2.4000113.6Q181 V183Q181-N185 PolarHBondContact O-N 3Å; Q181-N185 PolarHBondContact O-OD1 2.91Å; V183-N185 VanDerWaalsContact C-N 3.34Å; V183-N185 PolarHBondContact O-N 2.74Å
186S97.3Very high97.1Very high35 Ų3576.1 Ų76.125%0.24538%0.38CS..THydrogen-bonded Turntrans-91.9-3.9-179.973.70000114.2K182 V183 Y184 R188 K204K182-S186 WeakPolarHBondContact O-CB 3.39Å; K182-S186 PolarHBondContact O-N 2.6Å; K182-S186 PolarHBondContact O-OG 3.12Å; V183-S186 PolarHBondContact O-N 2.83Å; V183-S186 PolarHBondContact O-OG 2.85Å; Y184-S186 PolarHBondContact O-N 3.09Å; Y184-S186 VanDerWaalsContact O-N 3.1Å; S186-R188 PolarHBondContact O-N 3.17Å; S186-K204 VanDerWaalsContact OG-CB 3.28Å; S186-K204 WeakPolarHBondContact OG-CB 3.48Å; S186-K204 PolarHBondContact OG-N 3.13Å
187Q97.1Very high97.2Very high94 Ų9484.1 Ų84.144%0.43941%0.41SS..  trans-69.9116.5-177.9-68.7-176.5-9.700110.2Y184 I202 Q203Y184-Q187 WeakPolarHBondContact O-CB 3.32Å; Y184-Q187 WeakPolarHBondContact O-CG 3.15Å; Y184-Q187 PolarHBondContact O-N 3.46Å; Q187-I202 WeakPolarHBondContact CA-O 3.34Å; Q187-Q203 HydrophobicContact CG-CB 3.9Å
188R97.5Very high97.2Very high176 Ų17689.6 Ų89.666%0.66444%0.443SS*.EExtended strand (participates in β ladder)trans-147.3163178.564.9-174.8-179.2-165.82.2112.1S186 R201 I202S186-R188 PolarHBondContact O-N 3.17Å; R188-R201 WeakPolarHBondContact O-CA 3.34Å; R188-I202 HydrophobicContact CG-CD1 4.03Å; R188-I202 HydrophobicContact CG-CG1 3.78Å; R188-I202 PolarHBondContact N-O 2.73Å; R188-I202 VanDerWaalsContact N-O 3.11Å; R188-I202 PolarHBondContact O-N 2.82Å
189F97.5Very high97.3Very high118 Ų11894.1 Ų94.152%0.51845%0.454SS..EExtended strand (participates in β ladder)trans-67.7139.9171.2-69.6-67.3000111R200 R201F189-R200 CarbonylContact C-O 3.45Å; F189-R200 WeakPolarHBondContact CA-O 3.41Å; F189-R200 HydrophobicContact CD1-CG 3.65Å; F189-R200 HydrophobicContact CE1-CG 3.77Å; F189-R201 HydrophobicContact CD1-CG 4.2Å; F189-R201 HydrophobicContact CE1-CG 4.21Å
190R97.7Very high97.3Very high103 Ų103101 Ų10139%0.38948%0.48SS..PPolyproline II helixtrans-71.7131174.8-173.4-177-74.7-106.3-1.5109.5K195 R199 R200 I202R190-K195 WeakPolarHBondContact O-CD 3.41Å; R190-K195 WeakPolarHBondContact O-CG 3.47Å; R190-R199 WeakPolarHBondContact CB-O 3.41Å; R190-R199 VanDerWaalsContact CD-O 3.31Å; R190-R199 WeakPolarHBondContact CD-O 3.42Å; R190-R199 PolarHBondContact NE-O 2.85Å; R190-R199 VanDerWaalsContact NE-O 3.15Å; R190-R200 PolarHBondContact N-O 2.89Å; R190-I202 HydrophobicContact CB-CG2 4.1Å; R190-I202 HydrophobicContact CG-CG2 4.23Å; R190-I202 VanDerWaalsContact NH2-CG2 3.32Å
191A97.7Very high97.3Very high95 Ų95109.1 Ų109.179%0.78551%0.511SS*.SBendtrans-66.2146.8170.500000111.8
192G97Very high97.3Very high52 Ų52107.2 Ų107.254%0.53650%0.503SS..SBendtrans80.8-166175.600000116.1G194 K195G192-G194 PolarHBondContact O-N 3.17Å; G192-G194 VanDerWaalsContact O-N 3.08Å; G192-K195 PolarHBondContact O-N 3.06Å
193K97.4Very high97.3Very high146 Ų146107.8 Ų107.864%0.63551%0.507SS*.G310 helixtrans-69.3-4.5-171.6-58.4-65-176.4177.90114.8K195 M196K193-K195 PolarHBondContact O-N 3.47Å; K193-M196 HydrophobicContact CD-SD 3.95Å; K193-M196 PolarHBondContact O-N 3.3Å
194G96.8Very high97.3Very high15 Ų15109.8 Ų109.816%0.15552%0.516CS..G310 helixtrans-60.3-26174.200000113.3G192 M196 R197 R199G192-G194 PolarHBondContact O-N 3.17Å; G192-G194 VanDerWaalsContact O-N 3.08Å; G194-M196 VanDerWaalsContact C-N 3.31Å; G194-M196 PolarHBondContact O-N 2.87Å; G194-R197 PolarHBondContact O-N 3.42Å; G194-R197 VanDerWaalsContact O-N 3.12Å; G194-R199 CarbonylContact O-C 3.52Å; G194-R199 WeakPolarHBondContact O-CA 3.43Å; G194-R199 WeakPolarHBondContact O-CB 3.31Å; G194-R199 PolarHBondContact O-N 3.28Å
195K97Very high97.3Very high110 Ų110111.7 Ų111.748%0.47852%0.522SS..G310 helixtrans-60.3-38.2175.1-64.9-171.1-71.7177.60113R190 G192 K193 R197R190-K195 WeakPolarHBondContact O-CD 3.41Å; R190-K195 WeakPolarHBondContact O-CG 3.47Å; G192-K195 PolarHBondContact O-N 3.06Å; K193-K195 PolarHBondContact O-N 3.47Å; K195-R197 VanDerWaalsContact C-N 3.3Å
196M97.8Very high97.2Very high150 Ų150104.8 Ų104.874%0.73949%0.485SS*.G310 helixtrans-76.7-15.6177.1-67.3166.3167.600113K193 G194K193-M196 HydrophobicContact CD-SD 3.95Å; K193-M196 PolarHBondContact O-N 3.3Å; G194-M196 VanDerWaalsContact C-N 3.31Å; G194-M196 PolarHBondContact O-N 2.87Å
197R97.2Very high97.2Very high167 Ų167103.1 Ų103.163%0.6347%0.473SS*.G310 helixtrans-110.738.6-173.5-57.5179.5-177.7176.60112.4G194 K195 R199G194-R197 PolarHBondContact O-N 3.42Å; G194-R197 VanDerWaalsContact O-N 3.12Å; K195-R197 VanDerWaalsContact C-N 3.3Å; R197-R199 WeakPolarHBondContact O-CG 3.32Å; R197-R199 PolarHBondContact O-N 3.48Å; R197-R199 PolarHBondContact O-NH1 3.08Å
198N97.5Very high97.2Very high164 Ų16498.6 Ų98.688%0.87745%0.452SS*.THydrogen-bonded Turntrans54.425.4-179.7-60.9-24.5000115.3
199R96.8Very high97.2Very high141 Ų14190.4 Ų90.453%0.53242%0.422SS..  trans-119.439.9176.4-61.8176-166.996.5-5.4110.7R190 G194 R197 R201R190-R199 WeakPolarHBondContact CB-O 3.41Å; R190-R199 VanDerWaalsContact CD-O 3.31Å; R190-R199 WeakPolarHBondContact CD-O 3.42Å; R190-R199 PolarHBondContact NE-O 2.85Å; R190-R199 VanDerWaalsContact NE-O 3.15Å; G194-R199 CarbonylContact O-C 3.52Å; G194-R199 WeakPolarHBondContact O-CA 3.43Å; G194-R199 WeakPolarHBondContact O-CB 3.31Å; G194-R199 PolarHBondContact O-N 3.28Å; R197-R199 WeakPolarHBondContact O-CG 3.32Å; R197-R199 PolarHBondContact O-N 3.48Å; R197-R199 PolarHBondContact O-NH1 3.08Å; R199-R201 PolarHBondContact O-N 3.29Å
200R97.1Very high97.3Very high144 Ų14484.8 Ų84.854%0.54340%0.397SS..  trans-61.1-42.4-169.1-178.8-178.1-71.3-147.15.7113.8F189 R190F189-R200 CarbonylContact C-O 3.45Å; F189-R200 WeakPolarHBondContact CA-O 3.41Å; F189-R200 HydrophobicContact CD1-CG 3.65Å; F189-R200 HydrophobicContact CE1-CG 3.77Å; R190-R200 PolarHBondContact N-O 2.89Å
201R97.3Very high97.3Very high172 Ų17281.2 Ų81.265%0.64938%0.384SS*.EExtended strand (participates in β ladder)trans-111.2149.7-177.4-67.9-177.3173.197.2-2.4111.7R188 F189 R199R188-R201 WeakPolarHBondContact O-CA 3.34Å; F189-R201 HydrophobicContact CD1-CG 4.2Å; F189-R201 HydrophobicContact CE1-CG 4.21Å; R199-R201 PolarHBondContact O-N 3.29Å
202I97.4Very high97.2Very high52 Ų5281.1 Ų81.127%0.26737%0.366SS..EExtended strand (participates in β ladder)trans-128.8151.4170.354.6168.9000109.5Q187 R188 R190Q187-I202 WeakPolarHBondContact CA-O 3.34Å; R188-I202 HydrophobicContact CG-CD1 4.03Å; R188-I202 HydrophobicContact CG-CG1 3.78Å; R188-I202 PolarHBondContact N-O 2.73Å; R188-I202 VanDerWaalsContact N-O 3.11Å; R188-I202 PolarHBondContact O-N 2.82Å; R190-I202 HydrophobicContact CB-CG2 4.1Å; R190-I202 HydrophobicContact CG-CG2 4.23Å; R190-I202 VanDerWaalsContact NH2-CG2 3.32Å
203Q97Very high97.2Very high83 Ų8384.3 Ų84.339%0.38837%0.365SS..  trans-153.5160177.365.3-176.6-3.900110V183 Q187V183-Q203 HydrophobicContact CG1-CB 4.37Å; V183-Q203 HydrophobicContact CG1-CG 4.43Å; Q187-Q203 HydrophobicContact CG-CB 3.9Å
204K97.1Very high97.1Very high43 Ų4380.7 Ų80.719%0.18735%0.353CS..  trans-62.5151.1173.6-172.4-172.3175-1580110.9G141 D179 K182 V183 S186G141-K204 WeakPolarHBondContact O-CE 3.49Å; G141-K204 PolarHBondContact O-NZ 3.18Å; D179-K204 IonicContact OD1-NZ 2.87Å; D179-K204 PolarHBondContact OD1-NZ 3.01Å; K182-K204 HydrophobicContact CD-CD 4.24Å; K182-K204 HydrophobicContact CG-CD 3.88Å; V183-K204 HydrophobicContact CG2-CB 4.26Å; S186-K204 VanDerWaalsContact OG-CB 3.28Å; S186-K204 WeakPolarHBondContact OG-CB 3.48Å; S186-K204 PolarHBondContact OG-N 3.13Å
205R97Very high97Very high140 Ų14083.4 Ų83.453%0.52836%0.364SS..  trans-85.5119.5166.8-61.9-60.3-174.7175.9-0.7109.1H142 P242H142-R205 PolarHBondContact CE1-O 3.48Å; R205-P242 HydrophobicContact CG-CB 4.33Å; R205-P242 HydrophobicContact CG-CG 4.49Å
206G96.4Very high96.9Very high0 Ų078.9 Ų78.90%035%0.348CS..  trans-84.8-155.4176.100000112.5G226 R248G206-G226 WeakPolarHBondContact CA-O 3.21Å; G206-G226 PolarHBondContact N-O 3.46Å; G206-R248 PolarHBondContact O-NE 3.08Å; G206-R248 PolarHBondContact O-NH2 3.14Å
207P97.1Very high96.9Very high0 Ų071.8 Ų71.80%031%0.313CS..  trans-58.5155.6179.6-18.830000112.4D179 I180 I227 T228 R248 L249 I251D179-P207 VanDerWaalsContact OD2-CD 3.32Å; D179-P207 WeakPolarHBondContact OD2-CD 3.49Å; I180-P207 VanDerWaalsContact CD1-CD 3.42Å; I180-P207 HydrophobicContact CD1-CG 3.94Å; P207-I227 WeakPolarHBondContact O-CA 3.43Å; P207-T228 PolarHBondContact O-N 2.82Å; P207-T228 VanDerWaalsContact O-N 3.13Å; P207-R248 PolarHBondContact O-NH2 3.15Å; P207-L249 CarbonylContact C-O 3.57Å; P207-L249 WeakPolarHBondContact CA-O 3.17Å; P207-L249 HydrophobicContact CB-CD2 4.23Å; P207-L249 HydrophobicContact CB-CG 4.25Å; P207-L249 HydrophobicContact CG-CD2 3.99Å; P207-I251 HydrophobicContact CB-CD1 3.82Å; P207-I251 HydrophobicContact CB-CG1 4.26Å; P207-I251 HydrophobicContact CG-CD1 4.47Å
208I97.8Very high96.8Very high0 Ų065.2 Ų65.20%029%0.293CS..EExtended strand (participates in β ladder)trans-109.2126.5167.7-168.5164000108.9I210 T228 I230 K239 L240 R248 L249 A250 I251I208-I210 HydrophobicContact CG1-CG1 4.29Å; I208-I210 HydrophobicContact CG2-CD1 4.42Å; I208-T228 CarbonylContact C-O 3.46Å; I208-T228 WeakPolarHBondContact CA-O 3.41Å; I208-T228 HydrophobicContact CD1-CG2 4.32Å; I208-T228 HydrophobicContact CG1-CG2 4.38Å; I208-T228 WeakPolarHBondContact CG1-O 3.39Å; I208-I230 HydrophobicContact CD1-CD1 3.29Å; I208-I230 HydrophobicContact CD1-CG1 3.83Å; I208-I230 HydrophobicContact CG1-CD1 4.22Å; I208-I230 HydrophobicContact CG1-CG1 4.25Å; I208-K239 HydrophobicContact CD1-CB 4.11Å; I208-L240 HydrophobicContact CD1-CD2 4.01Å; I208-L240 HydrophobicContact CG2-CD2 4.44Å; I208-R248 HydrophobicContact CB-CG 4.36Å; I208-R248 HydrophobicContact CG2-CG 4Å; I208-L249 WeakPolarHBondContact CG2-O 3.48Å; I208-L249 PolarHBondContact N-O 2.65Å; I208-A250 HydrophobicContact CG2-CB 3.59Å; I208-A250 CarbonylContact O-C 3.54Å; I208-A250 WeakPolarHBondContact O-CA 3.39Å; I208-I251 PolarHBondContact O-N 3.29Å
209V97.5Very high96.7Very high4 Ų466 Ų662%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-101.6124.6175.5-175.40000108I217 F221 I227 T228 L229 I230 I251V209-I217 HydrophobicContact CG1-CD1 3.85Å; V209-F221 HydrophobicContact CG2-CD1 4.27Å; V209-F221 HydrophobicContact CG2-CE1 4.3Å; V209-I227 HydrophobicContact CG2-CG2 4.05Å; V209-T228 PolarHBondContact N-O 3.07Å; V209-L229 HydrophobicContact CB-CD2 3.81Å; V209-L229 HydrophobicContact CG1-CD2 4.44Å; V209-L229 HydrophobicContact CG2-CD2 4.42Å; V209-I230 PolarHBondContact O-N 3.27Å; V209-I230 VanDerWaalsContact O-N 3.12Å; V209-I251 CarbonylContact C-O 3.35Å; V209-I251 WeakPolarHBondContact CA-O 3.46Å; V209-I251 HydrophobicContact CG2-CB 4.33Å; V209-I251 HydrophobicContact CG2-CD1 4.35Å
210I98.1Very high96.7Very high0 Ų059.3 Ų59.30%026%0.258CS..EExtended strand (participates in β ladder)trans-116.1119-175.7-55.5170.8000108.6I208 I230 V232 L235 L240 A250 I251 W252 S253 A256I208-I210 HydrophobicContact CG1-CG1 4.29Å; I208-I210 HydrophobicContact CG2-CD1 4.42Å; I210-I230 WeakPolarHBondContact CA-O 3.46Å; I210-V232 HydrophobicContact CG2-CB 4.01Å; I210-V232 HydrophobicContact CG2-CG2 4.35Å; I210-L235 HydrophobicContact CD1-CD2 4.25Å; I210-L235 HydrophobicContact CG2-CD2 3.97Å; I210-L240 HydrophobicContact CD1-CD2 3.98Å; I210-A250 HydrophobicContact CD1-CB 4.22Å; I210-I251 PolarHBondContact N-O 2.95Å; I210-W252 HydrophobicContact CB-CD2 4.19Å; I210-W252 HydrophobicContact CB-CE3 3.7Å; I210-W252 HydrophobicContact CB-CZ3 3.94Å; I210-W252 HydrophobicContact CD1-CD2 3.99Å; I210-W252 HydrophobicContact CD1-CE3 3.91Å; I210-W252 HydrophobicContact CD1-CH2 3.39Å; I210-W252 HydrophobicContact CD1-CZ2 3.46Å; I210-W252 VanDerWaalsContact CD1-CZ2 3.46Å; I210-W252 HydrophobicContact CD1-CZ3 3.63Å; I210-W252 HydrophobicContact CG1-CE3 4.4Å; I210-W252 HydrophobicContact CG1-CZ3 4.38Å; I210-W252 HydrophobicContact CG2-CE3 3.6Å; I210-W252 HydrophobicContact CG2-CH2 4.29Å; I210-W252 HydrophobicContact CG2-CZ3 3.45Å; I210-W252 VanDerWaalsContact CG2-CZ3 3.45Å; I210-S253 PolarHBondContact O-N 3.23Å; I210-A256 HydrophobicContact CG2-CB 4.35Å
211Y97.8Very high96.8Very high28 Ų2852.6 Ų52.611%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-125.4163.7-175.661.6-92.7000111.3E159 K213 D214 I217 L229 I230 N231 V232E159-Y211 WeakPolarHBondContact OE1-CA 3.32Å; E159-Y211 WeakPolarHBondContact OE1-CB 3.39Å; Y211-K213 WeakPolarHBondContact CD2-O 3.37Å; Y211-D214 HydrophobicContact CD2-CB 4.43Å; Y211-D214 HydrophobicContact CE2-CB 3.8Å; Y211-I217 HydrophobicContact CD1-CD1 4.17Å; Y211-I217 HydrophobicContact CD1-CG2 3.96Å; Y211-I217 HydrophobicContact CD2-CG2 4.11Å; Y211-I217 HydrophobicContact CE1-CG2 4.27Å; Y211-I217 HydrophobicContact CE2-CG2 4.45Å; Y211-I217 HydrophobicContact CG-CD1 4.28Å; Y211-I217 HydrophobicContact CG-CG2 3.86Å; Y211-L229 HydrophobicContact CE1-CB 4.12Å; Y211-I230 WeakPolarHBondContact CD1-O 3.28Å; Y211-I230 PolarHBondContact N-O 3.27Å; Y211-I230 VanDerWaalsContact N-O 3.13Å; Y211-N231 HydrophobicContact CE2-CB 4.04Å; Y211-N231 CarbonylContact O-C 3.52Å; Y211-N231 VanDerWaalsContact O-CA 3.32Å; Y211-N231 WeakPolarHBondContact O-CA 3.41Å; Y211-V232 PolarHBondContact O-N 2.92Å
212K97.1Very high96.7Very high92 Ų9253.5 Ų53.540%0.424%0.236SC..SBendtrans-95.2-52.8176.3176.1175.4-179.5-167.40111.8E159 N231 V232 S255 A256 Q259E159-K212 PolarHBondContact OE1-N 3.33Å; K212-N231 PolarHBondContact O-ND2 3.5Å; K212-V232 HydrophobicContact CB-CG1 4.22Å; K212-S255 WeakPolarHBondContact CB-OG 3.46Å; K212-A256 HydrophobicContact CB-CB 4.41Å; K212-Q259 VanDerWaalsContact CD-OE1 3.27Å; K212-Q259 VanDerWaalsContact CG-OE1 3.23Å
213K95.8Very high96.7Very high120 Ų12057 Ų5752%0.52226%0.255SS..SBendtrans-117.4140.5-179.1-167.7177.7174.2-132.60109.2Y211 D215Y211-K213 WeakPolarHBondContact CD2-O 3.37Å; K213-D215 WeakPolarHBondContact CD-OD1 3.2Å; K213-D215 WeakPolarHBondContact CD-OD2 3.39Å; K213-D215 WeakPolarHBondContact CE-OD1 3.07Å; K213-D215 WeakPolarHBondContact CE-OD2 3.31Å; K213-D215 WeakPolarHBondContact CG-OD1 3.36Å; K213-D215 IonicContact NZ-OD1 3.16Å; K213-D215 PolarHBondContact NZ-OD1 3.2Å; K213-D215 IonicContact NZ-OD2 3.34Å; K213-D215 PolarHBondContact NZ-OD2 3.43Å
214D95.6Very high96.7Very high70 Ų7053.3 Ų53.337%0.37424%0.238SC..  trans-9891176.3-173.715.3000109.2Y211 G216 I217 S218Y211-D214 HydrophobicContact CD2-CB 4.43Å; Y211-D214 HydrophobicContact CE2-CB 3.8Å; D214-G216 PolarHBondContact OD1-N 3.44Å; D214-I217 HydrophobicContact CB-CG2 4.5Å; D214-I217 WeakPolarHBondContact OD1-CG2 3.17Å; D214-I217 PolarHBondContact OD1-N 3.15Å; D214-S218 VanDerWaalsContact CG-OG 3.26Å; D214-S218 WeakPolarHBondContact OD1-CB 3.31Å; D214-S218 PolarHBondContact OD1-N 3.07Å; D214-S218 PolarHBondContact OD1-OG 3.11Å; D214-S218 VanDerWaalsContact OD1-OG 3.09Å; D214-S218 WeakPolarHBondContact OD2-CB 3.35Å; D214-S218 PolarHBondContact OD2-OG 3.36Å
215D95Very high96.7Very high72 Ų7252.5 Ų52.539%0.38524%0.237SC..SBendtrans-100.719.1177.7-72.7-21.1000112.1E159 K213E159-D215 CarbonylContact O-C 3.44Å; E159-D215 PolarHBondContact O-N 3.5Å; K213-D215 WeakPolarHBondContact CD-OD1 3.2Å; K213-D215 WeakPolarHBondContact CD-OD2 3.39Å; K213-D215 WeakPolarHBondContact CE-OD1 3.07Å; K213-D215 WeakPolarHBondContact CE-OD2 3.31Å; K213-D215 WeakPolarHBondContact CG-OD1 3.36Å; K213-D215 IonicContact NZ-OD1 3.16Å; K213-D215 PolarHBondContact NZ-OD1 3.2Å; K213-D215 IonicContact NZ-OD2 3.34Å; K213-D215 PolarHBondContact NZ-OD2 3.43Å
216G95.1Very high96.7Very high14 Ų1446.1 Ų46.114%0.14422%0.215CC..SBendtrans134.8-20.6-177.900000113.5L161 D214 S218 R219 A220L161-G216 CarbonylContact O-C 3.6Å; L161-G216 VanDerWaalsContact O-O 3.07Å; D214-G216 PolarHBondContact OD1-N 3.44Å; G216-S218 PolarHBondContact O-N 3.04Å; G216-R219 PolarHBondContact O-N 2.84Å; G216-A220 PolarHBondContact O-N 2.91Å
217I96.4Very high96.7Very high1 Ų147.3 Ų47.31%0.00522%0.221CC..Hα-helixtrans-51.1-36.9-178.4-167.2176000112.9V158 E159 L161 V209 Y211 D214 R219 A220 F221V158-I217 HydrophobicContact CG1-CD1 4.11Å; E159-I217 WeakPolarHBondContact O-CB 3.43Å; E159-I217 PolarHBondContact O-N 3.06Å; L161-I217 PolarHBondContact O-N 3.41Å; V209-I217 HydrophobicContact CG1-CD1 3.85Å; Y211-I217 HydrophobicContact CD1-CD1 4.17Å; Y211-I217 HydrophobicContact CD1-CG2 3.96Å; Y211-I217 HydrophobicContact CD2-CG2 4.11Å; Y211-I217 HydrophobicContact CE1-CG2 4.27Å; Y211-I217 HydrophobicContact CE2-CG2 4.45Å; Y211-I217 HydrophobicContact CG-CD1 4.28Å; Y211-I217 HydrophobicContact CG-CG2 3.86Å; D214-I217 HydrophobicContact CB-CG2 4.5Å; D214-I217 WeakPolarHBondContact OD1-CG2 3.17Å; D214-I217 PolarHBondContact OD1-N 3.15Å; I217-R219 PolarHBondContact O-N 3.41Å; I217-A220 PolarHBondContact O-N 3.33Å; I217-F221 HydrophobicContact CD1-CD2 4.37Å; I217-F221 HydrophobicContact CD1-CE2 4.25Å; I217-F221 HydrophobicContact CG1-CD2 3.49Å; I217-F221 VanDerWaalsContact CG1-CD2 3.49Å; I217-F221 HydrophobicContact CG1-CE2 3.69Å; I217-F221 WeakPolarHBondContact O-CD2 3.31Å; I217-F221 PolarHBondContact O-N 3.3Å; I217-F221 VanDerWaalsContact O-N 3.09Å
218S95.6Very high96.7Very high30 Ų3048 Ų4821%0.2123%0.226CC..Hα-helixtrans-63.7-42.4179.367.70000113.1D214 G216 R222D214-S218 VanDerWaalsContact CG-OG 3.26Å; D214-S218 WeakPolarHBondContact OD1-CB 3.31Å; D214-S218 PolarHBondContact OD1-N 3.07Å; D214-S218 PolarHBondContact OD1-OG 3.11Å; D214-S218 VanDerWaalsContact OD1-OG 3.09Å; D214-S218 WeakPolarHBondContact OD2-CB 3.35Å; D214-S218 PolarHBondContact OD2-OG 3.36Å; G216-S218 PolarHBondContact O-N 3.04Å; S218-R222 WeakPolarHBondContact O-CB 3.41Å; S218-R222 VanDerWaalsContact O-CG 3.32Å; S218-R222 WeakPolarHBondContact O-CG 3.28Å; S218-R222 PolarHBondContact O-N 3.16Å; S218-R222 VanDerWaalsContact O-N 3.09Å
219R96.1Very high96.7Very high181 Ų18149.4 Ų49.468%0.68323%0.233SC*.Hα-helixtrans-70.7-38.5178-64.3-177.4-178.7-1750.3111.4G216 I217G216-R219 PolarHBondContact O-N 2.84Å; I217-R219 PolarHBondContact O-N 3.41Å
220A97.2Very high96.7Very high0 Ų049.5 Ų49.50%023%0.233CC..Hα-helixtrans-64.8-45.3179.900000112.7L161 T164 A167 G216 I217L161-A220 HydrophobicContact CB-CB 4.08Å; L161-A220 VanDerWaalsContact O-CB 3.29Å; L161-A220 WeakPolarHBondContact O-CB 3.29Å; T164-A220 WeakPolarHBondContact CA-O 3.41Å; T164-A220 WeakPolarHBondContact CB-O 3.5Å; T164-A220 PolarHBondContact OG1-O 3.46Å; A167-A220 HydrophobicContact CB-CB 4.17Å; G216-A220 PolarHBondContact O-N 2.91Å; I217-A220 PolarHBondContact O-N 3.33Å
221F97.5Very high96.6Very high2 Ų251.6 Ų51.61%0.00925%0.245CC..Hα-helixtrans-93-23.9-172.8-77.6-89.4000115.2V158 L161 A167 L171 V209 I217 N223 I224 I227 L229V158-F221 HydrophobicContact CG1-CE2 4.05Å; V158-F221 HydrophobicContact CG1-CZ 4.13Å; L161-F221 HydrophobicContact CD1-CE2 4.01Å; L161-F221 HydrophobicContact CD1-CZ 4.29Å; A167-F221 HydrophobicContact CB-CD1 3.95Å; A167-F221 HydrophobicContact CB-CD2 4.02Å; A167-F221 HydrophobicContact CB-CE1 3.82Å; A167-F221 HydrophobicContact CB-CE2 3.91Å; A167-F221 HydrophobicContact CB-CG 4.06Å; A167-F221 HydrophobicContact CB-CZ 3.8Å; L171-F221 HydrophobicContact CD1-CD1 4.4Å; L171-F221 HydrophobicContact CD1-CE1 4.08Å; L171-F221 HydrophobicContact CD2-CE1 4.17Å; L171-F221 HydrophobicContact CG-CE1 4.05Å; V209-F221 HydrophobicContact CG2-CD1 4.27Å; V209-F221 HydrophobicContact CG2-CE1 4.3Å; I217-F221 HydrophobicContact CD1-CD2 4.37Å; I217-F221 HydrophobicContact CD1-CE2 4.25Å; I217-F221 HydrophobicContact CG1-CD2 3.49Å; I217-F221 VanDerWaalsContact CG1-CD2 3.49Å; I217-F221 HydrophobicContact CG1-CE2 3.69Å; I217-F221 WeakPolarHBondContact O-CD2 3.31Å; I217-F221 PolarHBondContact O-N 3.3Å; I217-F221 VanDerWaalsContact O-N 3.09Å; F221-N223 PolarHBondContact O-N 2.89Å; F221-I224 HydrophobicContact CD1-CD1 4.2Å; F221-I224 PolarHBondContact O-N 3.49Å; F221-I227 HydrophobicContact CB-CG2 4.37Å; F221-I227 HydrophobicContact CD1-CD1 3.92Å; F221-I227 HydrophobicContact CD1-CG2 4.39Å; F221-L229 HydrophobicContact CB-CD1 4.13Å; F221-L229 HydrophobicContact CB-CD2 3.79Å; F221-L229 HydrophobicContact CB-CG 4.34Å; F221-L229 HydrophobicContact CG-CD2 4.38Å
222R96Very high96.6Very high192 Ų19250.3 Ų50.373%0.72524%0.24SC*.THydrogen-bonded Turntrans-56.8-28.2-171.165.8-178-174.6173.13.8114.9S218S218-R222 WeakPolarHBondContact O-CB 3.41Å; S218-R222 VanDerWaalsContact O-CG 3.32Å; S218-R222 WeakPolarHBondContact O-CG 3.28Å; S218-R222 PolarHBondContact O-N 3.16Å; S218-R222 VanDerWaalsContact O-N 3.09Å
223N97.2Very high96.5Very high124 Ų12452.5 Ų52.566%0.66325%0.249SC*.THydrogen-bonded Turntrans-83.2-12.3-176.3-162.339.1000113.3T164 F221 P225T164-N223 HydrophobicContact CG2-CB 4.46Å; F221-N223 PolarHBondContact O-N 2.89Å; N223-P225 WeakPolarHBondContact O-CD 3.11Å
224I97.2Very high96.5Very high7 Ų750.1 Ų50.14%0.03625%0.252CS..SBendtrans-81.1123.1-179.1-54.6174.2000109T164 A167 V168 L171 I180 F221 G226 I227T164-I224 HydrophobicContact CG2-CD1 4.22Å; T164-I224 HydrophobicContact CG2-CG1 3.79Å; A167-I224 HydrophobicContact CB-CD1 4Å; V168-I224 HydrophobicContact CG2-CD1 3.81Å; V168-I224 HydrophobicContact CG2-CG1 4.27Å; L171-I224 HydrophobicContact CD1-CD1 3.76Å; L171-I224 HydrophobicContact CD1-CG2 4.49Å; I180-I224 HydrophobicContact CD1-CG2 4.33Å; I180-I224 HydrophobicContact CG2-CG2 3.96Å; F221-I224 HydrophobicContact CD1-CD1 4.2Å; F221-I224 PolarHBondContact O-N 3.49Å; I224-G226 PolarHBondContact O-N 3.34Å; I224-I227 HydrophobicContact CB-CD1 3.66Å; I224-I227 HydrophobicContact CB-CG1 4.08Å; I224-I227 HydrophobicContact CD1-CD1 3.98Å; I224-I227 HydrophobicContact CG1-CD1 4.41Å; I224-I227 HydrophobicContact CG2-CD1 3.53Å; I224-I227 HydrophobicContact CG2-CG1 3.91Å; I224-I227 PolarHBondContact O-N 3.27Å
225P97.3Very high96.5Very high25 Ų2547.7 Ų47.716%0.16224%0.239CC..THydrogen-bonded Turntrans-58.4137-176-27.637.1000113.5V183 Y184 N223 I227V183-P225 HydrophobicContact CG1-CB 3.97Å; Y184-P225 HydrophobicContact CD1-CG 4.33Å; Y184-P225 HydrophobicContact CE1-CG 3.63Å; Y184-P225 HydrophobicContact CE2-CG 4.48Å; Y184-P225 VanDerWaalsContact OH-CD 3.28Å; Y184-P225 WeakPolarHBondContact OH-CD 3.33Å; N223-P225 WeakPolarHBondContact O-CD 3.11Å; P225-I227 PolarHBondContact O-N 3.34Å
226G96Very high96.6Very high7 Ų746.8 Ų46.87%0.07223%0.234CC..THydrogen-bonded Turntrans79.5-13.5174.700000115.6G206 I224 R248G206-G226 WeakPolarHBondContact CA-O 3.21Å; G206-G226 PolarHBondContact N-O 3.46Å; I224-G226 PolarHBondContact O-N 3.34Å; G226-R248 PolarHBondContact O-NH2 3.28Å
227I97.2Very high96.7Very high24 Ų2446.1 Ų46.112%0.12323%0.227CC..  trans-68.9140174.5-60.9-168.1000109.7L171 I180 P207 V209 F221 I224 P225 L229L171-I227 HydrophobicContact CD1-CD1 3.4Å; L171-I227 VanDerWaalsContact CD1-CD1 3.4Å; L171-I227 HydrophobicContact CD2-CD1 4.5Å; I180-I227 HydrophobicContact CD1-CD1 3.83Å; I180-I227 HydrophobicContact CD1-CG1 3.57Å; P207-I227 WeakPolarHBondContact O-CA 3.43Å; V209-I227 HydrophobicContact CG2-CG2 4.05Å; F221-I227 HydrophobicContact CB-CG2 4.37Å; F221-I227 HydrophobicContact CD1-CD1 3.92Å; F221-I227 HydrophobicContact CD1-CG2 4.39Å; I224-I227 HydrophobicContact CB-CD1 3.66Å; I224-I227 HydrophobicContact CB-CG1 4.08Å; I224-I227 HydrophobicContact CD1-CD1 3.98Å; I224-I227 HydrophobicContact CG1-CD1 4.41Å; I224-I227 HydrophobicContact CG2-CD1 3.53Å; I224-I227 HydrophobicContact CG2-CG1 3.91Å; I224-I227 PolarHBondContact O-N 3.27Å; P225-I227 PolarHBondContact O-N 3.34Å; I227-L229 HydrophobicContact CG2-CD2 4.28Å
228T97.5Very high96.7Very high16 Ų1648.4 Ų48.410%0.09824%0.239CC..EExtended strand (participates in β ladder)trans-123.1136.5172.2-58.10000109.4P207 I208 V209 I230 K239 R248P207-T228 PolarHBondContact O-N 2.82Å; P207-T228 VanDerWaalsContact O-N 3.13Å; I208-T228 CarbonylContact C-O 3.46Å; I208-T228 WeakPolarHBondContact CA-O 3.41Å; I208-T228 HydrophobicContact CD1-CG2 4.32Å; I208-T228 HydrophobicContact CG1-CG2 4.38Å; I208-T228 WeakPolarHBondContact CG1-O 3.39Å; V209-T228 PolarHBondContact N-O 3.07Å; T228-I230 HydrophobicContact CG2-CG1 4.41Å; T228-K239 HydrophobicContact CG2-CB 4.17Å; T228-K239 HydrophobicContact CG2-CD 3.69Å; T228-K239 HydrophobicContact CG2-CG 4.03Å; T228-R248 PolarHBondContact OG1-NH1 2.86Å; T228-R248 PolarHBondContact OG1-NH2 3.15Å
229L97.4Very high96.8Very high28 Ų2851 Ų5115%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-107.6136.2-179.3-65.5178.9000110.1V209 Y211 F221 I227 K239V209-L229 HydrophobicContact CB-CD2 3.81Å; V209-L229 HydrophobicContact CG1-CD2 4.44Å; V209-L229 HydrophobicContact CG2-CD2 4.42Å; Y211-L229 HydrophobicContact CE1-CB 4.12Å; F221-L229 HydrophobicContact CB-CD1 4.13Å; F221-L229 HydrophobicContact CB-CD2 3.79Å; F221-L229 HydrophobicContact CB-CG 4.34Å; F221-L229 HydrophobicContact CG-CD2 4.38Å; I227-L229 HydrophobicContact CG2-CD2 4.28Å; L229-K239 PolarHBondContact O-NZ 3.4Å
230I97.2Very high96.8Very high6 Ų642.5 Ų42.53%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-144.2136.8176.4-61.4-171.1000110.7I208 V209 I210 Y211 T228 L235 K239I208-I230 HydrophobicContact CD1-CD1 3.29Å; I208-I230 HydrophobicContact CD1-CG1 3.83Å; I208-I230 HydrophobicContact CG1-CD1 4.22Å; I208-I230 HydrophobicContact CG1-CG1 4.25Å; V209-I230 PolarHBondContact O-N 3.27Å; V209-I230 VanDerWaalsContact O-N 3.12Å; I210-I230 WeakPolarHBondContact CA-O 3.46Å; Y211-I230 WeakPolarHBondContact CD1-O 3.28Å; Y211-I230 PolarHBondContact N-O 3.27Å; Y211-I230 VanDerWaalsContact N-O 3.13Å; T228-I230 HydrophobicContact CG2-CG1 4.41Å; I230-L235 HydrophobicContact CG2-CD2 3.74Å; I230-K239 HydrophobicContact CD1-CB 3.47Å; I230-K239 VanDerWaalsContact CD1-CB 3.47Å; I230-K239 HydrophobicContact CD1-CD 3.49Å; I230-K239 VanDerWaalsContact CD1-CD 3.49Å; I230-K239 HydrophobicContact CD1-CG 4.13Å; I230-K239 HydrophobicContact CG1-CB 4.39Å; I230-K239 HydrophobicContact CG1-CD 3.61Å
231N97.4Very high96.8Very high45 Ų4542.5 Ų42.524%0.24121%0.214CC..EExtended strand (participates in β ladder)trans-77.8132.5165.5-169.9-52.5000110.8Y211 K212 K233 A234Y211-N231 HydrophobicContact CE2-CB 4.04Å; Y211-N231 CarbonylContact O-C 3.52Å; Y211-N231 VanDerWaalsContact O-CA 3.32Å; Y211-N231 WeakPolarHBondContact O-CA 3.41Å; K212-N231 PolarHBondContact O-ND2 3.5Å; N231-K233 PolarHBondContact O-N 3.18Å; N231-K233 VanDerWaalsContact O-N 3.11Å; N231-K233 WeakPolarHBondContact OD1-CB 3.23Å; N231-K233 PolarHBondContact OD1-N 2.93Å; N231-A234 CarbonylContact O-C 3.57Å; N231-A234 PolarHBondContact O-N 3.26Å
232V96.9Very high96.8Very high1 Ų143.4 Ų43.41%0.00622%0.221CC..G310 helixtrans-55.2-29179.671.80000114.1I210 Y211 K212 A234 L235 W252 A256 Q259 L260 L263I210-V232 HydrophobicContact CG2-CB 4.01Å; I210-V232 HydrophobicContact CG2-CG2 4.35Å; Y211-V232 PolarHBondContact O-N 2.92Å; K212-V232 HydrophobicContact CB-CG1 4.22Å; V232-A234 VanDerWaalsContact C-N 3.28Å; V232-A234 PolarHBondContact O-N 3.36Å; V232-L235 WeakPolarHBondContact O-CG 3.38Å; V232-W252 HydrophobicContact CG2-CZ3 4.22Å; V232-A256 HydrophobicContact CB-CB 3.93Å; V232-A256 HydrophobicContact CG1-CB 4.22Å; V232-A256 HydrophobicContact CG2-CB 4.2Å; V232-A256 WeakPolarHBondContact CG2-O 3.47Å; V232-Q259 HydrophobicContact CG1-CB 4.31Å; V232-Q259 HydrophobicContact CG1-CG 4.36Å; V232-L260 HydrophobicContact CG2-CD2 4.02Å; V232-L260 HydrophobicContact CG2-CG 4.49Å; V232-L263 HydrophobicContact CG1-CD1 4.44Å; V232-L263 HydrophobicContact CG2-CD1 3.75Å; V232-L263 VanDerWaalsContact O-CD1 3.26Å; V232-L263 WeakPolarHBondContact O-CD1 3.08Å
233K95.3Very high96.8Very high138 Ų13836.5 Ų36.560%0.621%0.209SC*.G310 helixtrans-68.2-27.8175.3-66.5178.7-178.8175.10112.6N231N231-K233 PolarHBondContact O-N 3.18Å; N231-K233 VanDerWaalsContact O-N 3.11Å; N231-K233 WeakPolarHBondContact OD1-CB 3.23Å; N231-K233 PolarHBondContact OD1-N 2.93Å
234A94.8Very high96.7Very high70 Ų7030.6 Ų30.658%0.57918%0.178SC*.G310 helixtrans-124.350.2-172.400000112N231 V232 N236N231-A234 CarbonylContact O-C 3.57Å; N231-A234 PolarHBondContact O-N 3.26Å; V232-A234 VanDerWaalsContact C-N 3.28Å; V232-A234 PolarHBondContact O-N 3.36Å; A234-N236 PolarHBondContact O-N 2.89Å
235L96.3Very high96.7Very high19 Ų1936 Ų3610%0.09920%0.203CC..  trans-59.6133.8176.2-66.6179.9000111.8I124 I128 I210 I230 V232 L240 W252 L260 Y264I124-L235 HydrophobicContact CG2-CB 4.2Å; I124-L235 HydrophobicContact CG2-CD1 4.48Å; I128-L235 HydrophobicContact CD1-CD1 3.54Å; I128-L235 HydrophobicContact CG1-CD1 4.19Å; I210-L235 HydrophobicContact CD1-CD2 4.25Å; I210-L235 HydrophobicContact CG2-CD2 3.97Å; I230-L235 HydrophobicContact CG2-CD2 3.74Å; V232-L235 WeakPolarHBondContact O-CG 3.38Å; L235-L240 HydrophobicContact CB-CD1 4.24Å; L235-W252 HydrophobicContact CD1-CH2 4.41Å; L235-L260 HydrophobicContact CD1-CD2 4.28Å; L235-Y264 HydrophobicContact CD1-CE2 4.05Å
236N96.3Very high96.5Very high53 Ų5335.9 Ų35.928%0.28320%0.2SC..  trans-120.5123.7-177.7-174.1-21.7000111A234 L238 K239 L240A234-N236 PolarHBondContact O-N 2.89Å; N236-L238 VanDerWaalsContact C-N 3.33Å; N236-L238 PolarHBondContact O-N 3.11Å; N236-L238 WeakPolarHBondContact OD1-CB 3.28Å; N236-L238 PolarHBondContact OD1-N 2.83Å; N236-K239 HydrophobicContact CB-CB 4.44Å; N236-K239 HydrophobicContact CB-CD 4.34Å; N236-K239 HydrophobicContact CB-CG 4.4Å; N236-K239 PolarHBondContact O-N 3.08Å; N236-K239 VanDerWaalsContact O-N 3.15Å; N236-L240 PolarHBondContact O-N 3.08Å
237L97.1Very high96.5Very high0 Ų035.5 Ų35.50%020%0.197CC..Hα-helixtrans-58.6-40.7179.1-17069000113L37 V40 H41 M44 A123 I124 A127 K239 L240 A241L37-L237 HydrophobicContact CD1-CD1 4.27Å; L37-L237 HydrophobicContact CG-CD1 4.13Å; V40-L237 HydrophobicContact CB-CD2 3.91Å; V40-L237 HydrophobicContact CG1-CD2 3.43Å; V40-L237 VanDerWaalsContact CG1-CD2 3.43Å; H41-L237 HydrophobicContact CB-CD2 4.24Å; M44-L237 HydrophobicContact CE-CB 4.34Å; M44-L237 HydrophobicContact SD-CB 3.92Å; M44-L237 HydrophobicContact SD-CD2 4.12Å; A123-L237 HydrophobicContact CB-CD1 4.05Å; A123-L237 HydrophobicContact CB-CD2 3.72Å; A123-L237 WeakPolarHBondContact O-CD1 3.36Å; I124-L237 HydrophobicContact CG1-CB 4.13Å; I124-L237 HydrophobicContact CG1-CD1 4.27Å; A127-L237 HydrophobicContact CB-CD1 3.8Å; L237-K239 PolarHBondContact O-N 3.2Å; L237-K239 VanDerWaalsContact O-N 3.14Å; L237-L240 PolarHBondContact O-N 3.22Å; L237-A241 HydrophobicContact CD1-CB 4.46Å; L237-A241 PolarHBondContact O-N 3.12Å
238L97.4Very high96.5Very high48 Ų4834.5 Ų34.525%0.25119%0.191SC..Hα-helixtrans-62.1-25.5-179-62.3179.9000112.5M44 R45 N236 P242M44-L238 HydrophobicContact CB-CD2 4.01Å; M44-L238 HydrophobicContact CB-CG 4.32Å; M44-L238 HydrophobicContact CE-CG 4.32Å; R45-L238 HydrophobicContact CB-CD2 4.08Å; N236-L238 VanDerWaalsContact C-N 3.33Å; N236-L238 PolarHBondContact O-N 3.11Å; N236-L238 WeakPolarHBondContact OD1-CB 3.28Å; N236-L238 PolarHBondContact OD1-N 2.83Å; L238-P242 WeakPolarHBondContact O-CA 3.27Å
239K97Very high96.5Very high86 Ų8633.7 Ų33.737%0.37419%0.186SC..Hα-helixtrans-94-33.8177.6-66.9-179.2171.3-175.50112.1I208 T228 L229 I230 N236 L237 P242 R248I208-K239 HydrophobicContact CD1-CB 4.11Å; T228-K239 HydrophobicContact CG2-CB 4.17Å; T228-K239 HydrophobicContact CG2-CD 3.69Å; T228-K239 HydrophobicContact CG2-CG 4.03Å; L229-K239 PolarHBondContact O-NZ 3.4Å; I230-K239 HydrophobicContact CD1-CB 3.47Å; I230-K239 VanDerWaalsContact CD1-CB 3.47Å; I230-K239 HydrophobicContact CD1-CD 3.49Å; I230-K239 VanDerWaalsContact CD1-CD 3.49Å; I230-K239 HydrophobicContact CD1-CG 4.13Å; I230-K239 HydrophobicContact CG1-CB 4.39Å; I230-K239 HydrophobicContact CG1-CD 3.61Å; N236-K239 HydrophobicContact CB-CB 4.44Å; N236-K239 HydrophobicContact CB-CD 4.34Å; N236-K239 HydrophobicContact CB-CG 4.4Å; N236-K239 PolarHBondContact O-N 3.08Å; N236-K239 VanDerWaalsContact O-N 3.15Å; L237-K239 PolarHBondContact O-N 3.2Å; L237-K239 VanDerWaalsContact O-N 3.14Å; K239-P242 VanDerWaalsContact O-CD 3.31Å; K239-P242 WeakPolarHBondContact O-CD 3.47Å; K239-P242 WeakPolarHBondContact O-CG 3.38Å; K239-R248 WeakPolarHBondContact O-CD 3.18Å; K239-R248 PolarHBondContact O-NH1 2.98Å
240L97.1Very high96.5Very high1 Ų132.4 Ų32.41%0.00518%0.18CC..Hα-helixtrans-74.9-38.7176.7-74.9172.5000112.8I124 A127 I128 I208 I210 L235 N236 L237 P242 R248I124-L240 HydrophobicContact CG2-CD1 4.15Å; A127-L240 HydrophobicContact CB-CB 4.08Å; I128-L240 HydrophobicContact CG1-CD1 4.13Å; I208-L240 HydrophobicContact CD1-CD2 4.01Å; I208-L240 HydrophobicContact CG2-CD2 4.44Å; I210-L240 HydrophobicContact CD1-CD2 3.98Å; L235-L240 HydrophobicContact CB-CD1 4.24Å; N236-L240 PolarHBondContact O-N 3.08Å; L237-L240 PolarHBondContact O-N 3.22Å; L240-P242 WeakPolarHBondContact O-CD 3.46Å; L240-R248 WeakPolarHBondContact O-CB 3.49Å
241A97.3Very high96.4Very high0 Ų032.3 Ų32.30%018%0.179CC..SBendtrans-122.364.5176.400000112.3L37 H41 A127 L237 G243 G244 H245L37-A241 HydrophobicContact CD1-CB 3.98Å; L37-A241 HydrophobicContact CD2-CB 3.73Å; L37-A241 HydrophobicContact CG-CB 4.26Å; H41-A241 PolarHBondContact CD2-O 3.43Å; H41-A241 PolarHBondContact NE2-O 3.07Å; A127-A241 HydrophobicContact CB-CB 4.47Å; L237-A241 HydrophobicContact CD1-CB 4.46Å; L237-A241 PolarHBondContact O-N 3.12Å; A241-G243 PolarHBondContact O-N 3.05Å; A241-G244 PolarHBondContact O-N 3.21Å; A241-H245 CarbonylContact C-O 3.53Å; A241-H245 WeakPolarHBondContact CA-O 3.32Å; A241-H245 WeakPolarHBondContact CB-O 3.49Å
242P96.8Very high96.5Very high22 Ų2230.2 Ų30.214%0.14317%0.168CC..THydrogen-bonded Turntrans-58.9124.6-179.6-17.825.4000111.4R140 R205 L238 K239 L240R140-P242 VanDerWaalsContact NH2-CB 3.27Å; R140-P242 PolarHBondContact NH2-O 3.18Å; R205-P242 HydrophobicContact CG-CB 4.33Å; R205-P242 HydrophobicContact CG-CG 4.49Å; L238-P242 WeakPolarHBondContact O-CA 3.27Å; K239-P242 VanDerWaalsContact O-CD 3.31Å; K239-P242 WeakPolarHBondContact O-CD 3.47Å; K239-P242 WeakPolarHBondContact O-CG 3.38Å; L240-P242 WeakPolarHBondContact O-CD 3.46Å
243G95.5Very high96.5Very high46 Ų4630.3 Ų30.347%0.47417%0.169SC..THydrogen-bonded Turntrans89.51.5-177.900000114.1H41 A241 H245H41-G243 VanDerWaalsContact CE1-C 3.49Å; H41-G243 PolarHBondContact NE2-N 3.05Å; H41-G243 VanDerWaalsContact NE2-N 3.19Å; A241-G243 PolarHBondContact O-N 3.05Å; G243-H245 VanDerWaalsContact C-N 3.3Å
244G96.1Very high96.5Very high1 Ų124.2 Ų24.21%0.0114%0.143CC..SBendtrans838.6-174.300000113.2L37 H41 A241L37-G244 WeakPolarHBondContact CD2-O 3.4Å; H41-G244 PolarHBondContact CD2-N 3.34Å; H41-G244 PolarHBondContact CE1-N 3.21Å; H41-G244 VanDerWaalsContact CE1-N 3.3Å; H41-G244 PolarHBondContact ND1-N 2.9Å; H41-G244 PolarHBondContact NE2-N 2.81Å; A241-G244 PolarHBondContact O-N 3.21Å
245H97Very high96.5Very high121 Ų12121.5 Ų21.556%0.5612%0.12SC*.  trans-102.2127.2175.1-56.4-67.4000110.3A241 G243A241-H245 CarbonylContact C-O 3.53Å; A241-H245 WeakPolarHBondContact CA-O 3.32Å; A241-H245 WeakPolarHBondContact CB-O 3.49Å; G243-H245 VanDerWaalsContact C-N 3.3Å
246M93.5Very high96.6Very high21 Ų2120.6 Ų20.610%0.10312%0.115CC..  trans-77.3171.5176.166.4-178.561.100112.3L32 L34 L37 A130 L136L32-M246 HydrophobicContact CB-SD 4.33Å; L32-M246 HydrophobicContact CD2-SD 4.47Å; L34-M246 VanDerWaalsContact CA-CE 3.41Å; L34-M246 HydrophobicContact CB-CE 3.7Å; L34-M246 HydrophobicContact CD1-CE 3.87Å; L34-M246 HydrophobicContact CD1-CG 4.44Å; L34-M246 HydrophobicContact CG-CE 4.4Å; L37-M246 HydrophobicContact CD1-CB 3.93Å; L37-M246 HydrophobicContact CD1-CE 3.99Å; A130-M246 HydrophobicContact CB-CB 3.61Å; A130-M246 HydrophobicContact CB-CG 3.76Å; A130-M246 HydrophobicContact CB-SD 3.78Å; L136-M246 HydrophobicContact CD1-SD 4.16Å
247G95Very high96.6Very high0 Ų018.1 Ų18.10%010%0.101CC..  trans86.340.2178.200000114.2V137 R140V137-G247 VanDerWaalsContact CA-O 3.3Å; V137-G247 WeakPolarHBondContact CA-O 3.45Å; R140-G247 WeakPolarHBondContact CB-O 3.45Å; R140-G247 VanDerWaalsContact CD-C 3.41Å; R140-G247 WeakPolarHBondContact CD-O 3.47Å
248R97.1Very high96.5Very high2 Ų224 Ų241%0.00812%0.124CC..  trans-73.9138.1168.3-176.3164-166.1-170.2-4.8109.9T131 R140 G206 P207 I208 G226 T228 K239 L240 A250T131-R248 VanDerWaalsContact CG2-O 3.29Å; T131-R248 WeakPolarHBondContact CG2-O 3.44Å; R140-R248 VanDerWaalsContact NH1-CG 3.27Å; G206-R248 PolarHBondContact O-NE 3.08Å; G206-R248 PolarHBondContact O-NH2 3.14Å; P207-R248 PolarHBondContact O-NH2 3.15Å; I208-R248 HydrophobicContact CB-CG 4.36Å; I208-R248 HydrophobicContact CG2-CG 4Å; G226-R248 PolarHBondContact O-NH2 3.28Å; T228-R248 PolarHBondContact OG1-NH1 2.86Å; T228-R248 PolarHBondContact OG1-NH2 3.15Å; K239-R248 WeakPolarHBondContact O-CD 3.18Å; K239-R248 PolarHBondContact O-NH1 2.98Å; L240-R248 WeakPolarHBondContact O-CB 3.49Å; R248-A250 PolarHBondContact O-N 2.91Å
249L97.1Very high96.4Very high0 Ų022.7 Ų22.70%012%0.116CC..  trans-62109.6171.4173.457.5000109.2V137 H142 V144 L150 D179 P207 I208V137-L249 HydrophobicContact CG1-CB 3.95Å; H142-L249 HydrophobicContact CB-CB 4.07Å; H142-L249 PolarHBondContact CD2-N 3.37Å; H142-L249 VanDerWaalsContact CD2-N 3.35Å; H142-L249 PolarHBondContact NE2-N 3.31Å; V144-L249 HydrophobicContact CG1-CD1 3.82Å; V144-L249 HydrophobicContact CG1-CD2 3.89Å; V144-L249 HydrophobicContact CG1-CG 4.29Å; L150-L249 HydrophobicContact CD2-CD1 3.66Å; D179-L249 HydrophobicContact CB-CD2 4.43Å; P207-L249 CarbonylContact C-O 3.57Å; P207-L249 WeakPolarHBondContact CA-O 3.17Å; P207-L249 HydrophobicContact CB-CD2 4.23Å; P207-L249 HydrophobicContact CB-CG 4.25Å; P207-L249 HydrophobicContact CG-CD2 3.99Å; I208-L249 WeakPolarHBondContact CG2-O 3.48Å; I208-L249 PolarHBondContact N-O 2.65Å
250A97.4Very high96.3Very high1 Ų118.6 Ų18.61%0.00810%0.098CC..EExtended strand (participates in β ladder)trans-107.8130.7178.900000110.7T131 I208 I210 R248T131-A250 HydrophobicContact CG2-CB 3.88Å; I208-A250 HydrophobicContact CG2-CB 3.59Å; I208-A250 CarbonylContact O-C 3.54Å; I208-A250 WeakPolarHBondContact O-CA 3.39Å; I210-A250 HydrophobicContact CD1-CB 4.22Å; R248-A250 PolarHBondContact O-N 2.91Å
251I97.2Very high96.2Very high3 Ų320.7 Ų20.72%0.01511%0.109CC..EExtended strand (participates in β ladder)trans-110118.2175.3-52.8178.9000105.9L152 L154 L171 I174 P207 I208 V209 I210L152-I251 HydrophobicContact CD2-CG1 4.18Å; L152-I251 HydrophobicContact CD2-CG2 4.3Å; L154-I251 HydrophobicContact CD1-CG2 3.45Å; L154-I251 VanDerWaalsContact CD1-CG2 3.45Å; L154-I251 HydrophobicContact CG-CG2 3.78Å; L171-I251 HydrophobicContact CD2-CD1 3.89Å; I174-I251 HydrophobicContact CD1-CD1 3.9Å; P207-I251 HydrophobicContact CB-CD1 3.82Å; P207-I251 HydrophobicContact CB-CG1 4.26Å; P207-I251 HydrophobicContact CG-CD1 4.47Å; I208-I251 PolarHBondContact O-N 3.29Å; V209-I251 CarbonylContact C-O 3.35Å; V209-I251 WeakPolarHBondContact CA-O 3.46Å; V209-I251 HydrophobicContact CG2-CB 4.33Å; V209-I251 HydrophobicContact CG2-CD1 4.35Å; I210-I251 PolarHBondContact N-O 2.95Å
252W97.7Very high96Very high1 Ų127.5 Ų27.50%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-104141.6-177.1-61.787.9000109.9F28 I128 L152 V153 L154 I210 V232 L235 A256 F257 L260F28-W252 HydrophobicContact CZ-CZ2 4.28Å; I128-W252 HydrophobicContact CG1-CH2 4.46Å; I128-W252 HydrophobicContact CG2-CH2 4.27Å; I128-W252 HydrophobicContact CG2-CZ2 4.07Å; L152-W252 PolarHBondContact O-N 3.49Å; V153-W252 CarbonylContact C-O 3.6Å; V153-W252 WeakPolarHBondContact CA-O 3.38Å; V153-W252 HydrophobicContact CG2-CB 4.31Å; L154-W252 PolarHBondContact N-O 3.18Å; I210-W252 HydrophobicContact CB-CD2 4.19Å; I210-W252 HydrophobicContact CB-CE3 3.7Å; I210-W252 HydrophobicContact CB-CZ3 3.94Å; I210-W252 HydrophobicContact CD1-CD2 3.99Å; I210-W252 HydrophobicContact CD1-CE3 3.91Å; I210-W252 HydrophobicContact CD1-CH2 3.39Å; I210-W252 HydrophobicContact CD1-CZ2 3.46Å; I210-W252 VanDerWaalsContact CD1-CZ2 3.46Å; I210-W252 HydrophobicContact CD1-CZ3 3.63Å; I210-W252 HydrophobicContact CG1-CE3 4.4Å; I210-W252 HydrophobicContact CG1-CZ3 4.38Å; I210-W252 HydrophobicContact CG2-CE3 3.6Å; I210-W252 HydrophobicContact CG2-CH2 4.29Å; I210-W252 HydrophobicContact CG2-CZ3 3.45Å; I210-W252 VanDerWaalsContact CG2-CZ3 3.45Å; V232-W252 HydrophobicContact CG2-CZ3 4.22Å; L235-W252 HydrophobicContact CD1-CH2 4.41Å; W252-A256 HydrophobicContact CE3-CB 4.4Å; W252-F257 HydrophobicContact CB-CB 4.24Å; W252-F257 HydrophobicContact CB-CD2 3.9Å; W252-F257 HydrophobicContact CD2-CD2 4.01Å; W252-F257 HydrophobicContact CE3-CD2 4.45Å; W252-F257 AromaticContact CG-CD2 3.75Å; W252-F257 HydrophobicContact CG-CD2 3.75Å; W252-F257 HydrophobicContact CG-CE2 4.39Å; W252-L260 HydrophobicContact CE3-CD1 4.21Å; W252-L260 HydrophobicContact CH2-CD1 3.88Å; W252-L260 HydrophobicContact CH2-CD2 3.96Å; W252-L260 HydrophobicContact CH2-CG 4.43Å; W252-L260 HydrophobicContact CZ2-CD1 4.38Å; W252-L260 HydrophobicContact CZ3-CD1 3.78Å; W252-L260 HydrophobicContact CZ3-CD2 3.84Å; W252-L260 HydrophobicContact CZ3-CG 4.09Å
253S96.9Very high95.9Very high3 Ų326.9 Ų26.92%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-76.1149.2158.468.50000109.9L154 E159 I210 S255 A256 F257L154-S253 CarbonylContact O-C 3.58Å; E159-S253 VanDerWaalsContact OE1-CB 3.31Å; E159-S253 WeakPolarHBondContact OE1-CB 3.35Å; E159-S253 PolarHBondContact OE1-OG 2.98Å; I210-S253 PolarHBondContact O-N 3.23Å; S253-S255 PolarHBondContact O-N 3.3Å; S253-S255 PolarHBondContact OG-OG 3.42Å; S253-A256 WeakPolarHBondContact O-CB 3.47Å; S253-A256 PolarHBondContact O-N 3.39Å; S253-A256 VanDerWaalsContact O-N 3.08Å; S253-A256 WeakPolarHBondContact OG-CB 3.25Å; S253-A256 PolarHBondContact OG-N 3.04Å; S253-F257 WeakPolarHBondContact O-CB 3.46Å; S253-F257 PolarHBondContact O-N 3.19Å
254D95.7Very high95.9Very high11 Ų1124.9 Ų24.96%0.05911%0.113CC..Hα-helixtrans-52.3-44.4175.5163.571.1000111.3V10 I22 V153 L154 K156 A256 F257 R258V10-D254 HydrophobicContact CG1-CB 4.22Å; I22-D254 HydrophobicContact CD1-CB 4.27Å; I22-D254 WeakPolarHBondContact CD1-OD1 3.49Å; V153-D254 HydrophobicContact CG1-CB 4.23Å; L154-D254 PolarHBondContact O-N 3.03Å; K156-D254 WeakPolarHBondContact CE-OD2 3.37Å; K156-D254 HydrophobicContact CG-CB 4.13Å; K156-D254 WeakPolarHBondContact CG-OD2 3.18Å; K156-D254 IonicContact NZ-OD2 3.52Å; D254-A256 PolarHBondContact O-N 2.98Å; D254-F257 PolarHBondContact O-N 3.2Å; D254-R258 WeakPolarHBondContact O-CG 3.3Å; D254-R258 PolarHBondContact O-N 3.13Å; D254-R258 IonicContact OD1-CZ 3.55Å; D254-R258 IonicContact OD1-NE 3.89Å; D254-R258 PolarHBondContact OD1-NE 3.29Å; D254-R258 IonicContact OD1-NH2 2.75Å; D254-R258 PolarHBondContact OD1-NH2 3.41Å; D254-R258 IonicContact OD2-NE 3.73Å
255S96Very high95.7Very high13 Ų1324.9 Ų24.99%0.09111%0.113CC..Hα-helixtrans-64.4-37.1179.2670000112.5E159 K212 S253E159-S255 PolarHBondContact OE1-OG 2.8Å; E159-S255 PolarHBondContact OE2-OG 3.26Å; K212-S255 WeakPolarHBondContact CB-OG 3.46Å; S253-S255 PolarHBondContact O-N 3.3Å; S253-S255 PolarHBondContact OG-OG 3.42Å
256A97Very high95.5Very high0 Ų021.1 Ų21.10%010%0.098CC..Hα-helixtrans-70.5-44.3174.600000111.8I210 K212 V232 W252 S253 D254 R258 Q259I210-A256 HydrophobicContact CG2-CB 4.35Å; K212-A256 HydrophobicContact CB-CB 4.41Å; V232-A256 HydrophobicContact CB-CB 3.93Å; V232-A256 HydrophobicContact CG1-CB 4.22Å; V232-A256 HydrophobicContact CG2-CB 4.2Å; V232-A256 WeakPolarHBondContact CG2-O 3.47Å; W252-A256 HydrophobicContact CE3-CB 4.4Å; S253-A256 WeakPolarHBondContact O-CB 3.47Å; S253-A256 PolarHBondContact O-N 3.39Å; S253-A256 VanDerWaalsContact O-N 3.08Å; S253-A256 WeakPolarHBondContact OG-CB 3.25Å; S253-A256 PolarHBondContact OG-N 3.04Å; D254-A256 PolarHBondContact O-N 2.98Å; A256-R258 PolarHBondContact O-N 2.97Å; A256-Q259 WeakPolarHBondContact O-CB 3.39Å; A256-Q259 PolarHBondContact O-N 2.93Å; A256-Q259 VanDerWaalsContact O-N 3.08Å
257F96.6Very high95.2Very high0 Ų026.3 Ų26.30%012%0.117CC..Hα-helixtrans-61.5-45.8-177.2-161.2-105.7000111.5V8 I22 M24 P25 F28 P151 V153 W252 S253 D254 Q259 L260V8-F257 HydrophobicContact CB-CE1 4.29Å; V8-F257 HydrophobicContact CG2-CE1 4.16Å; V8-F257 HydrophobicContact CG2-CZ 4.06Å; I22-F257 HydrophobicContact CB-CD1 4.23Å; I22-F257 HydrophobicContact CB-CE1 4.47Å; I22-F257 HydrophobicContact CD1-CB 4.29Å; I22-F257 HydrophobicContact CD1-CD1 3.83Å; I22-F257 HydrophobicContact CD1-CG 4.47Å; I22-F257 HydrophobicContact CG2-CD1 4.02Å; I22-F257 HydrophobicContact CG2-CE1 4.47Å; M24-F257 HydrophobicContact SD-CZ 3.89Å; P25-F257 VanDerWaalsContact CD-CZ 3.41Å; P25-F257 HydrophobicContact CG-CD1 3.98Å; P25-F257 HydrophobicContact CG-CE1 3.79Å; P25-F257 HydrophobicContact CG-CE2 4.5Å; P25-F257 HydrophobicContact CG-CG 4.44Å; P25-F257 HydrophobicContact CG-CZ 4.06Å; F28-F257 HydrophobicContact CD2-CE2 4.33Å; F28-F257 HydrophobicContact CD2-CZ 4.32Å; F28-F257 HydrophobicContact CE2-CD2 4.25Å; F28-F257 AromaticContact CE2-CE2 3.34Å; F28-F257 HydrophobicContact CE2-CE2 3.34Å; F28-F257 AromaticContact CE2-CZ 3.73Å; F28-F257 HydrophobicContact CE2-CZ 3.73Å; F28-F257 AromaticContact CZ-CE2 3.65Å; F28-F257 HydrophobicContact CZ-CE2 3.65Å; F28-F257 HydrophobicContact CZ-CZ 4.32Å; P151-F257 HydrophobicContact CB-CE2 3.94Å; P151-F257 HydrophobicContact CB-CZ 4.35Å; P151-F257 HydrophobicContact CG-CE2 4.29Å; P151-F257 HydrophobicContact CG-CZ 4.36Å; V153-F257 HydrophobicContact CG1-CB 4.21Å; V153-F257 HydrophobicContact CG1-CG 4.48Å; V153-F257 HydrophobicContact CG2-CB 4.3Å; V153-F257 HydrophobicContact CG2-CD1 3.96Å; V153-F257 HydrophobicContact CG2-CD2 3.71Å; V153-F257 HydrophobicContact CG2-CE1 4.1Å; V153-F257 HydrophobicContact CG2-CE2 3.88Å; V153-F257 HydrophobicContact CG2-CG 3.74Å; V153-F257 HydrophobicContact CG2-CZ 4.07Å; W252-F257 HydrophobicContact CB-CB 4.24Å; W252-F257 HydrophobicContact CB-CD2 3.9Å; W252-F257 HydrophobicContact CD2-CD2 4.01Å; W252-F257 HydrophobicContact CE3-CD2 4.45Å; W252-F257 AromaticContact CG-CD2 3.75Å; W252-F257 HydrophobicContact CG-CD2 3.75Å; W252-F257 HydrophobicContact CG-CE2 4.39Å; S253-F257 WeakPolarHBondContact O-CB 3.46Å; S253-F257 PolarHBondContact O-N 3.19Å; D254-F257 PolarHBondContact O-N 3.2Å; F257-Q259 PolarHBondContact O-N 2.67Å; F257-L260 HydrophobicContact CD2-CD1 4.16Å; F257-L260 WeakPolarHBondContact O-CB 3.42Å; F257-L260 PolarHBondContact O-N 3.38Å
258R95.2Very high94.9Very high124 Ų12436 Ų3647%0.46816%0.159SC..Hα-helixtrans-62.2-25.1175-68.9178.8-172.5-92-0.2113.7I22 D254 A256 L260I22-R258 HydrophobicContact CD1-CG 4.26Å; I22-R258 HydrophobicContact CG2-CG 3.78Å; D254-R258 WeakPolarHBondContact O-CG 3.3Å; D254-R258 PolarHBondContact O-N 3.13Å; D254-R258 IonicContact OD1-CZ 3.55Å; D254-R258 IonicContact OD1-NE 3.89Å; D254-R258 PolarHBondContact OD1-NE 3.29Å; D254-R258 IonicContact OD1-NH2 2.75Å; D254-R258 PolarHBondContact OD1-NH2 3.41Å; D254-R258 IonicContact OD2-NE 3.73Å; A256-R258 PolarHBondContact O-N 2.97Å; R258-L260 VanDerWaalsContact C-N 3.31Å
259Q95.3Very high94.7Very high20 Ų2039.7 Ų39.79%0.09318%0.182CC..Hα-helixtrans-78-16.1-179.3-170.3169.7-6.700113.1K212 V232 A256 F257 D261 K262 L263K212-Q259 VanDerWaalsContact CD-OE1 3.27Å; K212-Q259 VanDerWaalsContact CG-OE1 3.23Å; V232-Q259 HydrophobicContact CG1-CB 4.31Å; V232-Q259 HydrophobicContact CG1-CG 4.36Å; A256-Q259 WeakPolarHBondContact O-CB 3.39Å; A256-Q259 PolarHBondContact O-N 2.93Å; A256-Q259 VanDerWaalsContact O-N 3.08Å; F257-Q259 PolarHBondContact O-N 2.67Å; Q259-D261 PolarHBondContact O-N 3.12Å; Q259-K262 PolarHBondContact O-N 3.25Å; Q259-L263 HydrophobicContact CG-CD1 3.96Å; Q259-L263 HydrophobicContact CG-CG 4.06Å; Q259-L263 WeakPolarHBondContact O-CG 2.99Å; Q259-L263 PolarHBondContact O-N 2.94Å; Q259-L263 VanDerWaalsContact O-N 3.08Å
260L95.8Very high94.5Very high0 Ų041 Ų410%020%0.195CC..Hα-helixtrans-59.9-42.8-176.4-73.5174.1000113.2P25 V27 F28 I128 V232 L235 W252 F257 R258 K262 L263 Y264P25-L260 HydrophobicContact CB-CB 3.8Å; P25-L260 HydrophobicContact CB-CD1 4.3Å; P25-L260 HydrophobicContact CG-CB 4.03Å; P25-L260 HydrophobicContact CG-CD1 4.11Å; V27-L260 HydrophobicContact CG1-CB 4.24Å; V27-L260 HydrophobicContact CG1-CD1 4.19Å; F28-L260 HydrophobicContact CE2-CD1 3.85Å; I128-L260 HydrophobicContact CD1-CD2 4.41Å; V232-L260 HydrophobicContact CG2-CD2 4.02Å; V232-L260 HydrophobicContact CG2-CG 4.49Å; L235-L260 HydrophobicContact CD1-CD2 4.28Å; W252-L260 HydrophobicContact CE3-CD1 4.21Å; W252-L260 HydrophobicContact CH2-CD1 3.88Å; W252-L260 HydrophobicContact CH2-CD2 3.96Å; W252-L260 HydrophobicContact CH2-CG 4.43Å; W252-L260 HydrophobicContact CZ2-CD1 4.38Å; W252-L260 HydrophobicContact CZ3-CD1 3.78Å; W252-L260 HydrophobicContact CZ3-CD2 3.84Å; W252-L260 HydrophobicContact CZ3-CG 4.09Å; F257-L260 HydrophobicContact CD2-CD1 4.16Å; F257-L260 WeakPolarHBondContact O-CB 3.42Å; F257-L260 PolarHBondContact O-N 3.38Å; R258-L260 VanDerWaalsContact C-N 3.31Å; L260-K262 VanDerWaalsContact C-N 3.32Å; L260-K262 PolarHBondContact O-N 3.27Å; L260-L263 PolarHBondContact O-N 3.24Å; L260-Y264 HydrophobicContact CD2-CD2 4.23Å; L260-Y264 HydrophobicContact CD2-CE2 4.12Å; L260-Y264 PolarHBondContact O-N 3.26Å
261D93.5Very high94.3Very high45 Ų4541.6 Ų41.624%0.24120%0.199CC..Hα-helixtrans-63.9-37.2178.4-78.1-20.5000111.8P25 A26 Q259 L263 G265P25-D261 WeakPolarHBondContact CA-OD1 3.48Å; P25-D261 WeakPolarHBondContact CB-OD1 3.26Å; A26-D261 PolarHBondContact N-OD1 2.7Å; Q259-D261 PolarHBondContact O-N 3.12Å; D261-L263 VanDerWaalsContact C-N 3.3Å; D261-L263 PolarHBondContact O-N 3.45Å; D261-G265 WeakPolarHBondContact O-CA 3.34Å; D261-G265 PolarHBondContact O-N 3.45Å
262K93.8Very high94.1Very high144 Ų14447.2 Ų47.263%0.62623%0.233SC*.Hα-helixtrans-67.2-30.9173.4-65.4-174.1178.2-1740112.4Q259 L260 V272 K273Q259-K262 PolarHBondContact O-N 3.25Å; L260-K262 VanDerWaalsContact C-N 3.32Å; L260-K262 PolarHBondContact O-N 3.27Å; K262-V272 PolarHBondContact O-N 3.43Å; K262-K273 PolarHBondContact O-N 3.34Å
263L95.1Very high93.8Very high9 Ų954.1 Ų54.15%0.04726%0.264CS..Hα-helixtrans-83.8-32.6-176.7-75.5169.6000114.1V232 Q259 L260 D261 S271 K273 K274V232-L263 HydrophobicContact CG1-CD1 4.44Å; V232-L263 HydrophobicContact CG2-CD1 3.75Å; V232-L263 VanDerWaalsContact O-CD1 3.26Å; V232-L263 WeakPolarHBondContact O-CD1 3.08Å; Q259-L263 HydrophobicContact CG-CD1 3.96Å; Q259-L263 HydrophobicContact CG-CG 4.06Å; Q259-L263 WeakPolarHBondContact O-CG 2.99Å; Q259-L263 PolarHBondContact O-N 2.94Å; Q259-L263 VanDerWaalsContact O-N 3.08Å; L260-L263 PolarHBondContact O-N 3.24Å; D261-L263 VanDerWaalsContact C-N 3.3Å; D261-L263 PolarHBondContact O-N 3.45Å; L263-S271 PolarHBondContact O-OG 3.16Å; L263-K273 HydrophobicContact CD2-CB 3.94Å; L263-K273 HydrophobicContact CD2-CG 4Å; L263-K274 WeakPolarHBondContact O-CD 3.48Å; L263-K274 WeakPolarHBondContact O-CE 3.45Å
264Y95Very high93.5Very high4 Ų455.8 Ų55.82%0.01627%0.27CS..Hα-helixtrans-118.8-12.9-174-69-83.9000113.6V27 I124 C125 I128 L235 L260 K274 F277V27-Y264 HydrophobicContact CG2-CD2 4.46Å; V27-Y264 HydrophobicContact CG2-CG 4.26Å; I124-Y264 HydrophobicContact CG2-CE1 4.33Å; I124-Y264 WeakPolarHBondContact CG2-OH 3.42Å; C125-Y264 WeakPolarHBondContact SG-CD1 3.41Å; C125-Y264 VanDerWaalsContact SG-CE1 3.54Å; I128-Y264 HydrophobicContact CD1-CD2 4.5Å; I128-Y264 HydrophobicContact CD1-CE2 3.79Å; L235-Y264 HydrophobicContact CD1-CE2 4.05Å; L260-Y264 HydrophobicContact CD2-CD2 4.23Å; L260-Y264 HydrophobicContact CD2-CE2 4.12Å; L260-Y264 PolarHBondContact O-N 3.26Å; Y264-K274 PolarHBondContact OH-NZ 3.48Å; Y264-F277 HydrophobicContact CD1-CD1 4.49Å; Y264-F277 AromaticContact CD1-CE1 3.77Å; Y264-F277 HydrophobicContact CD1-CE1 3.77Å; Y264-F277 HydrophobicContact CD1-CZ 4.42Å
265G93Very high93.3Very high1 Ų160.6 Ų60.61%0.0131%0.305CS..  trans81.3177.7-174.400000112.1D261 T269 L279D261-G265 WeakPolarHBondContact O-CA 3.34Å; D261-G265 PolarHBondContact O-N 3.45Å; G265-T269 CarbonylContact C-O 3.53Å; G265-T269 VanDerWaalsContact CA-O 3.32Å; G265-T269 WeakPolarHBondContact CA-O 3.36Å; G265-L279 WeakPolarHBondContact O-CD1 3.32Å
266T91.9Very high93.1Very high41 Ų4163 Ų6325%0.25233%0.331SS..  trans-104-174.1168.5700000110A26 K268 T269A26-T266 HydrophobicContact CB-CG2 4.25Å; T266-K268 VanDerWaalsContact C-N 3.26Å; T266-K268 PolarHBondContact OG1-N 3.18Å; T266-T269 PolarHBondContact N-O 3.43Å; T266-T269 PolarHBondContact N-OG1 2.64Å; T266-T269 PolarHBondContact OG1-N 2.93Å; T266-T269 PolarHBondContact OG1-OG1 3.06Å
267R86.3Confident93Very high130 Ų13063.4 Ų63.449%0.49133%0.333SS..SBendtrans-68-28.3171.5-69.8-173.7179.2-146.5-3.8112.6T29T29-R267 PolarHBondContact O-NH2 3.44Å; T29-R267 PolarHBondContact OG1-NE 2.92Å; T29-R267 PolarHBondContact OG1-NH2 3.1Å
268K90Very high92.9Very high204 Ų20469.1 Ų69.189%0.88736%0.36SS*.SBendtrans-92.2-34.7-178.7-62.9-172.8178-171.80112.3T266T266-K268 VanDerWaalsContact C-N 3.26Å; T266-K268 PolarHBondContact OG1-N 3.18Å
269T92.5Very high92.8Very high79 Ų7963.9 Ų63.949%0.48534%0.341SS..SBendtrans-114.7133.1-174.161.60000111G265 T266G265-T269 CarbonylContact C-O 3.53Å; G265-T269 VanDerWaalsContact CA-O 3.32Å; G265-T269 WeakPolarHBondContact CA-O 3.36Å; T266-T269 PolarHBondContact N-O 3.43Å; T266-T269 PolarHBondContact N-OG1 2.64Å; T266-T269 PolarHBondContact OG1-N 2.93Å; T266-T269 PolarHBondContact OG1-OG1 3.06Å
270G92Very high92.7Very high27 Ų2764.1 Ų64.128%0.27834%0.344SS..  trans-61.9169.2173.100000113.5H278G270-H278 VanDerWaalsContact CA-CD2 3.45Å; G270-H278 WeakPolarHBondContact CA-CD2 3.3Å; G270-H278 WeakPolarHBondContact CA-NE2 3.48Å
271S93.9Very high92.5Very high14 Ų1471.5 Ų71.510%0.09838%0.382CS..  trans-69.7130.2173.9174.70000111.7L263 K273 K274 F277L263-S271 PolarHBondContact O-OG 3.16Å; S271-K273 PolarHBondContact OG-N 3.42Å; S271-K274 WeakPolarHBondContact OG-CB 3.17Å; S271-K274 PolarHBondContact OG-N 2.84Å; S271-F277 PolarHBondContact N-O 3.43Å
272V93Very high92.4Very high121 Ų12170.7 Ų70.773%0.73338%0.381SS*.SBendtrans-70.7-39.7175.1178.90000111K262K262-V272 PolarHBondContact O-N 3.43Å
273K90.5Very high92.4Very high147 Ų14774 Ų7464%0.63940%0.396SS*.SBendtrans-89.6-16.6-174.7-74.1-80.6179.3-171.10113.7K262 L263 S271K262-K273 PolarHBondContact O-N 3.34Å; L263-K273 HydrophobicContact CD2-CB 3.94Å; L263-K273 HydrophobicContact CD2-CG 4Å; S271-K273 PolarHBondContact OG-N 3.42Å
274K92.4Very high92.2Very high37 Ų3777.5 Ų77.516%0.16141%0.413CS..SBendtrans-122.193.6-176.8-59.7-178.7-173.4-175.30108.8R121 L263 Y264 S271 G276 F277R121-K274 HydrophobicContact CG-CD 4.48Å; L263-K274 WeakPolarHBondContact O-CD 3.48Å; L263-K274 WeakPolarHBondContact O-CE 3.45Å; Y264-K274 PolarHBondContact OH-NZ 3.48Å; S271-K274 WeakPolarHBondContact OG-CB 3.17Å; S271-K274 PolarHBondContact OG-N 2.84Å; K274-G276 PolarHBondContact O-N 2.97Å; K274-F277 HydrophobicContact CB-CB 3.8Å; K274-F277 HydrophobicContact CB-CG 4.47Å; K274-F277 HydrophobicContact CD-CD1 4.47Å; K274-F277 VanDerWaalsContact O-CB 3.31Å; K274-F277 WeakPolarHBondContact O-CB 3.35Å; K274-F277 PolarHBondContact O-N 2.76Å; K274-F277 VanDerWaalsContact O-N 3.09Å
275S91.7Very high92Very high112 Ų11283 Ų8378%0.78345%0.447SS*.THydrogen-bonded Turntrans-48.5135176.7-179.10000111.7R121 F277R121-S275 PolarHBondContact NH1-O 3.26Å; S275-F277 PolarHBondContact O-N 3Å
276G90.8Very high91.9Very high63 Ų6385.1 Ų85.165%0.64946%0.458SS*.THydrogen-bonded Turntrans64.613.7179.700000115.8K274K274-G276 PolarHBondContact O-N 2.97Å
277F94.7Very high91.8Very high10 Ų1087.1 Ų87.14%0.04447%0.472CS..  trans-101.1126.8-179.3-173-103.9000112.8R121 Y264 S271 K274 S275 L279R121-F277 HydrophobicContact CB-CD2 3.81Å; R121-F277 HydrophobicContact CB-CE2 3.31Å; R121-F277 HydrophobicContact CB-CZ 3.81Å; R121-F277 HydrophobicContact CG-CD2 4.22Å; R121-F277 HydrophobicContact CG-CE2 4.21Å; Y264-F277 HydrophobicContact CD1-CD1 4.49Å; Y264-F277 AromaticContact CD1-CE1 3.77Å; Y264-F277 HydrophobicContact CD1-CE1 3.77Å; Y264-F277 HydrophobicContact CD1-CZ 4.42Å; S271-F277 PolarHBondContact N-O 3.43Å; K274-F277 HydrophobicContact CB-CB 3.8Å; K274-F277 HydrophobicContact CB-CG 4.47Å; K274-F277 HydrophobicContact CD-CD1 4.47Å; K274-F277 VanDerWaalsContact O-CB 3.31Å; K274-F277 WeakPolarHBondContact O-CB 3.35Å; K274-F277 PolarHBondContact O-N 2.76Å; K274-F277 VanDerWaalsContact O-N 3.09Å; S275-F277 PolarHBondContact O-N 3Å; F277-L279 HydrophobicContact CE1-CD2 4.41Å
278H94.1Very high92.1Very high119 Ų11984.8 Ų84.855%0.55147%0.469SS*.  trans-119.3154.7168.3-67.185.3000109.8G270G270-H278 VanDerWaalsContact CA-CD2 3.45Å; G270-H278 WeakPolarHBondContact CA-CD2 3.3Å; G270-H278 WeakPolarHBondContact CA-NE2 3.48Å
279L93.6Very high92.2Very high15 Ų1580.1 Ų80.18%0.07945%0.453CS..PPolyproline II helixtrans-62.8138.7174-73.8177.3000110.4A26 V27 G265 F277 I281A26-L279 HydrophobicContact CB-CD1 3.6Å; V27-L279 HydrophobicContact CB-CD2 4.3Å; V27-L279 HydrophobicContact CG2-CD2 4.26Å; G265-L279 WeakPolarHBondContact O-CD1 3.32Å; F277-L279 HydrophobicContact CE1-CD2 4.41Å; L279-I281 PolarHBondContact O-N 3.26Å
280P93.3Very high92.3Very high25 Ų2578 Ų7816%0.16245%0.448CS..PPolyproline II helixtrans-60.7136.5177.2-21.530.4000112.9T30 P31 Y122T30-P280 HydrophobicContact CG2-CB 4.45Å; T30-P280 HydrophobicContact CG2-CG 4.05Å; P31-P280 WeakPolarHBondContact CD-O 3.28Å; Y122-P280 HydrophobicContact CD1-CB 3.63Å; Y122-P280 HydrophobicContact CD1-CG 3.4Å; Y122-P280 HydrophobicContact CD2-CG 3.98Å; Y122-P280 HydrophobicContact CE1-CB 3.27Å; Y122-P280 HydrophobicContact CE1-CG 3.61Å; Y122-P280 HydrophobicContact CE2-CB 4.21Å; Y122-P280 HydrophobicContact CE2-CG 4.13Å; Y122-P280 HydrophobicContact CG-CB 4.23Å; Y122-P280 HydrophobicContact CG-CG 3.58Å
281I91.5Very high92.3Very high155 Ų15585.3 Ų85.380%0.79547%0.467SS*.PPolyproline II helixtrans-78.4136.9175.9-56.2172.3000109.3L279L279-I281 PolarHBondContact O-N 3.26Å
282A91.8Very high92.3Very high27 Ų2788 Ų8822%0.22348%0.48CS..PPolyproline II helixtrans-72.8128.2174.200000110.1P31 M284P31-A282 VanDerWaalsContact CG-CA 3.47Å; P31-A282 HydrophobicContact CG-CB 3.72Å; A282-M284 WeakPolarHBondContact CB-O 3.2Å; A282-M284 PolarHBondContact O-N 2.84Å
283K93.3Very high92.3Very high214 Ų21487.5 Ų87.593%0.9347%0.473SS*.SBendtrans-63-30.5172-67.1-168173.7-157.40112.3
284M91.6Very high92.4Very high82 Ų8287.7 Ų87.740%0.40448%0.475SS..  trans-119.3119.7177.9-168.4174.9-173.800108.7A282 N286 L289 L292A282-M284 WeakPolarHBondContact CB-O 3.2Å; A282-M284 PolarHBondContact O-N 2.84Å; M284-N286 WeakPolarHBondContact CE-O 3.48Å; M284-N286 WeakPolarHBondContact CG-O 3.41Å; M284-L289 HydrophobicContact CE-CD2 3.47Å; M284-L289 VanDerWaalsContact CE-CD2 3.47Å; M284-L289 HydrophobicContact CE-CG 4.28Å; M284-L292 HydrophobicContact CE-CD1 3.32Å
285T90.3Very high92.6Very high121 Ų12187.6 Ų87.674%0.74248%0.479SS*.SBendtrans-72.2-40.6-176.851.70000112.1M1M1-T285 PolarHBondContact N-O 3.45Å
286N90.2Very high92.8Very high44 Ų4492.4 Ų92.424%0.23548%0.48CS..  trans-117.5105.8172.6-177.516.9000110.5M284 D288 L292M284-N286 WeakPolarHBondContact CE-O 3.48Å; M284-N286 WeakPolarHBondContact CG-O 3.41Å; N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 PolarHBondContact O-N 3.07Å; N286-D288 WeakPolarHBondContact OD1-CB 3.48Å; N286-D288 PolarHBondContact OD1-N 3.32Å; N286-D288 VanDerWaalsContact OD1-N 3.15Å; N286-L292 WeakPolarHBondContact O-CD1 3.45Å
287P90Very high93Very high84 Ų8496 Ų9655%0.54548%0.48SS..  trans-80.30.4179.133.7-35.8000114.3L289P287-L289 PolarHBondContact O-N 2.84Å
288D92Very high92.9Very high81 Ų8198.2 Ų98.243%0.43349%0.494SS..  trans-79.287.5177.2-172.4-11000110.8N286 G290 R291 L292N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 PolarHBondContact O-N 3.07Å; N286-D288 WeakPolarHBondContact OD1-CB 3.48Å; N286-D288 PolarHBondContact OD1-N 3.32Å; N286-D288 VanDerWaalsContact OD1-N 3.15Å; D288-G290 PolarHBondContact O-N 3.41Å; D288-G290 PolarHBondContact OD1-N 2.9Å; D288-G290 VanDerWaalsContact OD1-N 3.13Å; D288-R291 HydrophobicContact CB-CB 4.13Å; D288-R291 PolarHBondContact O-N 3.48Å; D288-R291 PolarHBondContact OD1-N 3.4Å; D288-R291 WeakPolarHBondContact OD2-CB 3.33Å; D288-L292 WeakPolarHBondContact O-CG 3.25Å; D288-L292 PolarHBondContact O-N 3.4Å; D288-L292 VanDerWaalsContact O-N 3.11Å
289L92.9Very high92.8Very high105 Ų10595.3 Ų95.355%0.5549%0.487SS..Hα-helixtrans-61.6-33.6176.9-68.4174.2000112.3M284 P287 L292 L293M284-L289 HydrophobicContact CE-CD2 3.47Å; M284-L289 VanDerWaalsContact CE-CD2 3.47Å; M284-L289 HydrophobicContact CE-CG 4.28Å; P287-L289 PolarHBondContact O-N 2.84Å; L289-L292 PolarHBondContact O-N 3.46Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 VanDerWaalsContact O-CG 3.23Å; L289-L293 WeakPolarHBondContact O-CG 3.26Å; L289-L293 PolarHBondContact O-N 3.21Å
290G93.9Very high92.8Very high36 Ų3698.8 Ų98.837%0.37151%0.513SS..Hα-helixtrans-60.2-50177.600000110.4D288 L292 L293 H294D288-G290 PolarHBondContact O-N 3.41Å; D288-G290 PolarHBondContact OD1-N 2.9Å; D288-G290 VanDerWaalsContact OD1-N 3.13Å; G290-L292 PolarHBondContact O-N 3.46Å; G290-L293 PolarHBondContact O-N 3.18Å; G290-H294 PolarHBondContact O-N 2.92Å; G290-H294 PolarHBondContact O-ND1 2.89Å
291R93.3Very high92.9Very high180 Ų180103.4 Ų103.468%0.67954%0.54SS*.Hα-helixtrans-63.4-39.8176.5-175.1173.8-178.7170.32.2113.2D288 C295D288-R291 HydrophobicContact CB-CB 4.13Å; D288-R291 PolarHBondContact O-N 3.48Å; D288-R291 PolarHBondContact OD1-N 3.4Å; D288-R291 WeakPolarHBondContact OD2-CB 3.33Å; R291-C295 PolarHBondContact O-N 3.3Å
292L93.4Very high93Very high69 Ų69101.6 Ų101.636%0.36153%0.531SS..Hα-helixtrans-67.1-40.8179.7-71172.9000112.5M284 N286 D288 L289 G290 H294 C295M284-L292 HydrophobicContact CE-CD1 3.32Å; N286-L292 WeakPolarHBondContact O-CD1 3.45Å; D288-L292 WeakPolarHBondContact O-CG 3.25Å; D288-L292 PolarHBondContact O-N 3.4Å; D288-L292 VanDerWaalsContact O-N 3.11Å; L289-L292 PolarHBondContact O-N 3.46Å; G290-L292 PolarHBondContact O-N 3.46Å; L292-H294 VanDerWaalsContact C-N 3.35Å; L292-C295 PolarHBondContact O-SG 2.96Å
293L92.9Very high93Very high112 Ų112109 Ų10959%0.58656%0.559SS**Hα-helixtrans-72.7-28.6-178.8-69.4172.4000113L289 G290L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 VanDerWaalsContact O-CG 3.23Å; L289-L293 WeakPolarHBondContact O-CG 3.26Å; L289-L293 PolarHBondContact O-N 3.21Å; G290-L293 PolarHBondContact O-N 3.18Å
294H93.8Very high92.7Very high150 Ų150104 Ų10469%0.69455%0.551SS**THydrogen-bonded Turntrans-98.47.9179.7-61.491.1000113.2G290 L292G290-H294 PolarHBondContact O-N 2.92Å; G290-H294 PolarHBondContact O-ND1 2.89Å; L292-H294 VanDerWaalsContact C-N 3.35Å
295C95Very high92.6Very high35 Ų35108.4 Ų108.424%0.23656%0.563CS.*SBendtrans-67.1152.1176.281.70000110R291 L292 E297 V298 S299R291-C295 PolarHBondContact O-N 3.3Å; L292-C295 PolarHBondContact O-SG 2.96Å; C295-E297 VanDerWaalsContact CB-OE2 3.28Å; C295-E297 WeakPolarHBondContact CB-OE2 3.3Å; C295-E297 PolarHBondContact O-N 3.38Å; C295-E297 PolarHBondContact SG-OE2 2.83Å; C295-V298 PolarHBondContact O-N 3.16Å; C295-V298 WeakPolarHBondContact SG-CG2 3.41Å; C295-V298 PolarHBondContact SG-N 3.49Å; C295-S299 WeakPolarHBondContact O-CB 3.28Å; C295-S299 PolarHBondContact O-N 3.39Å; C295-S299 PolarHBondContact O-OG 3.45Å
296R95.7Very high92.4Very high214 Ų214110.1 Ų110.181%0.80856%0.556SS**Hα-helixtrans-62.2-38.3-173.8-177.6178.9176.7177.3-1111V298 S299 S300R296-V298 VanDerWaalsContact C-N 3.33Å; R296-V298 PolarHBondContact O-N 3.37Å; R296-S299 PolarHBondContact O-N 3.41Å; R296-S300 VanDerWaalsContact O-CB 3.27Å; R296-S300 WeakPolarHBondContact O-CB 3.48Å; R296-S300 PolarHBondContact O-N 3.38Å; R296-S300 PolarHBondContact O-OG 3.18Å; R296-S300 VanDerWaalsContact O-OG 3.07Å
297E94.9Very high91.9Very high137 Ų137112.2 Ų112.264%0.6457%0.565SS**Hα-helixtrans-63.6-37.4-178.6-5580.3-178.500111.9C295 S300C295-E297 VanDerWaalsContact CB-OE2 3.28Å; C295-E297 WeakPolarHBondContact CB-OE2 3.3Å; C295-E297 PolarHBondContact O-N 3.38Å; C295-E297 PolarHBondContact SG-OE2 2.83Å; E297-S300 PolarHBondContact O-OG 2.67Å
298V93.7Very high91.3Very high57 Ų57114.5 Ų114.535%0.34557%0.568SS.*Hα-helixtrans-77.2-49.3173.7170.80000109.6C295 R296 S300 V301 L302C295-V298 PolarHBondContact O-N 3.16Å; C295-V298 WeakPolarHBondContact SG-CG2 3.41Å; C295-V298 PolarHBondContact SG-N 3.49Å; R296-V298 VanDerWaalsContact C-N 3.33Å; R296-V298 PolarHBondContact O-N 3.37Å; V298-S300 VanDerWaalsContact C-N 3.28Å; V298-S300 PolarHBondContact O-N 2.97Å; V298-V301 PolarHBondContact O-N 2.92Å; V298-L302 HydrophobicContact CG1-CD1 3.9Å; V298-L302 HydrophobicContact CG1-CG 4.17Å; V298-L302 WeakPolarHBondContact O-CG 3.32Å; V298-L302 PolarHBondContact O-N 3.2Å
299S91.6Very high90.3Very high59 Ų59115.8 Ų115.841%0.41357%0.574SS.*Hα-helixtrans-63.2-30.8-173.7-55.90000113.4C295 R296 V301C295-S299 WeakPolarHBondContact O-CB 3.28Å; C295-S299 PolarHBondContact O-N 3.39Å; C295-S299 PolarHBondContact O-OG 3.45Å; R296-S299 PolarHBondContact O-N 3.41Å; S299-V301 VanDerWaalsContact C-N 3.34Å
300S94.3Very high89.1Confident88 Ų88116.5 Ų116.562%0.61558%0.575SS**THydrogen-bonded Turntrans-70.7-26.1178.861.60000113.8R296 E297 V298R296-S300 VanDerWaalsContact O-CB 3.27Å; R296-S300 WeakPolarHBondContact O-CB 3.48Å; R296-S300 PolarHBondContact O-N 3.38Å; R296-S300 PolarHBondContact O-OG 3.18Å; R296-S300 VanDerWaalsContact O-OG 3.07Å; E297-S300 PolarHBondContact O-OG 2.67Å; V298-S300 VanDerWaalsContact C-N 3.28Å; V298-S300 PolarHBondContact O-N 2.97Å
301V95Very high87.8Confident121 Ų121124.1 Ų124.173%0.73359%0.593SS**THydrogen-bonded Turntrans-97-18.3-176.7-174.90000111.9V298 S299 K303V298-V301 PolarHBondContact O-N 2.92Å; S299-V301 VanDerWaalsContact C-N 3.34Å; V301-K303 PolarHBondContact O-N 2.76Å
302L92.7Very high86.3Confident117 Ų117119.8 Ų119.861%0.61359%0.588SS**SBendtrans-66.8134.4180-72.7175.8000111.8V298V298-L302 HydrophobicContact CG1-CD1 3.9Å; V298-L302 HydrophobicContact CG1-CG 4.17Å; V298-L302 WeakPolarHBondContact O-CG 3.32Å; V298-L302 PolarHBondContact O-N 3.2Å
303K91.8Very high85.1Confident184 Ų184118.9 Ų118.980%0.860%0.595SS**PPolyproline II helixtrans-63.4146.6169.3-66.3178.6-179.5177.20109.8V301 R305V301-K303 PolarHBondContact O-N 2.76Å; K303-R305 PolarHBondContact O-N 3.18Å
304S88.8Confident83.7Confident109 Ų109119.4 Ų119.476%0.76261%0.605SS**PPolyproline II helixtrans-54.4139.8174.361.60000111.1R306S304-R306 PolarHBondContact O-N 3.23Å
305R87.7Confident82.6Confident174 Ų174121.6 Ų121.666%0.65761%0.613SS**PPolyproline II helixtrans-66.5120.9-176.8-173.8176176.5178.7-1.4110.1K303 M307K303-R305 PolarHBondContact O-N 3.18Å; R305-M307 VanDerWaalsContact C-N 3.35Å; R305-M307 HydrophobicContact CG-SD 3.88Å; R305-M307 PolarHBondContact NE-SD 3.22Å; R305-M307 PolarHBondContact O-N 3.28Å
306R86.3Confident81.8Confident157 Ų157125.5 Ų125.559%0.59264%0.635SS**  trans-77.478.4177.3-64.1-177.7-178.8-178.9-2.3111.7S304 H308 L309S304-R306 PolarHBondContact O-N 3.23Å; R306-H308 VanDerWaalsContact C-N 3.25Å; R306-H308 PolarHBondContact O-N 3.37Å; R306-L309 HydrophobicContact CB-CD1 3.89Å; R306-L309 HydrophobicContact CB-CG 4.32Å; R306-L309 HydrophobicContact CG-CD1 4.4Å; R306-L309 PolarHBondContact O-N 3.23Å
307M81.3Confident81.3Confident87 Ų87124.5 Ų124.543%0.42964%0.636SS.*Hα-helixtrans-59.1-33.5-177.7-67.4-60.8-71.700113.6R305 L309 Q310 R311R305-M307 VanDerWaalsContact C-N 3.35Å; R305-M307 HydrophobicContact CG-SD 3.88Å; R305-M307 PolarHBondContact NE-SD 3.22Å; R305-M307 PolarHBondContact O-N 3.28Å; M307-L309 VanDerWaalsContact C-N 3.27Å; M307-L309 PolarHBondContact O-N 3.43Å; M307-Q310 PolarHBondContact O-N 3.46Å; M307-R311 PolarHBondContact O-N 3.4Å
308H77.3Confident80.9Confident132 Ų132124 Ų12461%0.61163%0.632SS**Hα-helixtrans-65.6-24.7-179.268.7-90.6000114R306 R311R306-H308 VanDerWaalsContact C-N 3.25Å; R306-H308 PolarHBondContact O-N 3.37Å; H308-R311 CarbonylContact O-C 3.52Å
309L70.9Confident80.8Confident108 Ų108124.9 Ų124.957%0.56564%0.635SS**Hα-helixtrans-80.6-27.1176-71.7171.9000112.7R306 M307 P312R306-L309 HydrophobicContact CB-CD1 3.89Å; R306-L309 HydrophobicContact CB-CG 4.32Å; R306-L309 HydrophobicContact CG-CD1 4.4Å; R306-L309 PolarHBondContact O-N 3.23Å; M307-L309 VanDerWaalsContact C-N 3.27Å; M307-L309 PolarHBondContact O-N 3.43Å; L309-P312 WeakPolarHBondContact O-CD 3.28Å
310Q66.1Low80.7Confident121 Ų121123.6 Ų123.657%0.56563%0.625SS**Hα-helixtrans-83.7-21.8-179.9-65.4-162.9-13.300112.6M307 P312M307-Q310 PolarHBondContact O-N 3.46Å; Q310-P312 VanDerWaalsContact C-CD 3.44Å
311R66.3Low80.4Confident196 Ų196126.7 Ų126.774%0.7463%0.634SS**  trans-12766.1174.7-62.5-179.5-179.3170.8-1.1109.6M307 H308 G313M307-R311 PolarHBondContact O-N 3.4Å; H308-R311 CarbonylContact O-C 3.52Å; R311-G313 VanDerWaalsContact C-N 3.29Å; R311-G313 PolarHBondContact O-N 2.89Å
312P63.1Low80.2Confident89 Ų89129.8 Ų129.858%0.57864%0.638SS**  trans-61.9105.8162.427.9-27.4000104.8L309 Q310L309-P312 WeakPolarHBondContact O-CD 3.28Å; Q310-P312 VanDerWaalsContact C-CD 3.44Å
313G68.1Low80.1Confident49 Ų49126.6 Ų126.651%0.50562%0.621SS.*  trans-49.7153.2173.900000109.4R311 K315R311-G313 VanDerWaalsContact C-N 3.29Å; R311-G313 PolarHBondContact O-N 2.89Å; G313-K315 PolarHBondContact O-N 3.47Å
314P63.9Low80Confident124 Ų124121.4 Ų121.481%0.80560%0.602SS**  trans-58.899.7-17324.5-33.4000109.6V316P314-V316 HydrophobicContact CB-CG2 4.28Å; P314-V316 PolarHBondContact O-N 2.94Å
315K70.1Confident80.1Confident196 Ų196123.1 Ų123.185%0.85260%0.598SS**  trans-78.264.5172-68.7-175.3-177.7179.10107.5G313 K317G313-K315 PolarHBondContact O-N 3.47Å; K315-K317 PolarHBondContact O-N 3.23Å; K315-K317 VanDerWaalsContact O-N 3.09Å
316V78.4Confident80.2Confident116 Ų116115.6 Ų115.670%0.70357%0.573SS**  trans-61.5116.4171.2179.90000106.7P314 K318P314-V316 HydrophobicContact CB-CG2 4.28Å; P314-V316 PolarHBondContact O-N 2.94Å; V316-K318 PolarHBondContact O-N 3.16Å
317K84.4Confident80.5Confident193 Ų193110.3 Ų110.384%0.83956%0.556SS**  trans-63.299.9176.9-175-179.1-179.8-178.70108.3K315 N319K315-K317 PolarHBondContact O-N 3.23Å; K315-K317 VanDerWaalsContact O-N 3.09Å; K317-N319 PolarHBondContact O-N 3.47Å
318K87.1Confident81Confident126 Ų126108.9 Ų108.955%0.54855%0.55SS..  trans-66.1129.7172.2-64.3-177.3179.3-176.30108.2V316 P320 A326V316-K318 PolarHBondContact O-N 3.16Å; K318-P320 WeakPolarHBondContact O-CD 3.31Å; K318-A326 HydrophobicContact CB-CB 3.82Å
319N91.1Very high81.7Confident76 Ų76111.5 Ų111.541%0.40656%0.56SS.*  trans-69.6115.6176.6-178-16.2000109.2K317 L321 K322 N323K317-N319 PolarHBondContact O-N 3.47Å; N319-L321 PolarHBondContact O-N 2.85Å; N319-L321 WeakPolarHBondContact OD1-CB 3.37Å; N319-L321 PolarHBondContact OD1-N 3.41Å; N319-K322 HydrophobicContact CB-CB 4.31Å; N319-K322 HydrophobicContact CB-CG 4.48Å; N319-K322 PolarHBondContact O-N 3.13Å; N319-K322 VanDerWaalsContact O-N 3.09Å; N319-N323 WeakPolarHBondContact O-CB 3.31Å; N319-N323 PolarHBondContact O-N 3.44Å
320P89.8Confident82.7Confident32 Ų32112.6 Ų112.621%0.20857%0.565CS.*THydrogen-bonded Turntrans-66-26.5-176.127.6-34.7000112.9K318 K322 L327 L330K318-P320 WeakPolarHBondContact O-CD 3.31Å; P320-K322 VanDerWaalsContact C-N 3.26Å; P320-K322 PolarHBondContact O-N 2.98Å; P320-L327 HydrophobicContact CB-CB 4.25Å; P320-L327 HydrophobicContact CB-CD1 4.06Å; P320-L327 WeakPolarHBondContact O-CB 3.45Å; P320-L330 HydrophobicContact CB-CD1 3.88Å; P320-L330 HydrophobicContact CG-CD1 3.97Å
321L88.8Confident84Confident153 Ų153109.8 Ų109.880%0.80155%0.554SS**THydrogen-bonded Turntrans-71.8-23.1176.5-57.7178000112.6N319N319-L321 PolarHBondContact O-N 2.85Å; N319-L321 WeakPolarHBondContact OD1-CB 3.37Å; N319-L321 PolarHBondContact OD1-N 3.41Å
322K90.1Very high85.2Confident187 Ų187105.5 Ų105.581%0.81355%0.551SS**THydrogen-bonded Turntrans-100.9-19.8177.3-64.8-171.2175.9-173.70113.3N319 P320N319-K322 HydrophobicContact CB-CB 4.31Å; N319-K322 HydrophobicContact CB-CG 4.48Å; N319-K322 PolarHBondContact O-N 3.13Å; N319-K322 VanDerWaalsContact O-N 3.09Å; P320-K322 VanDerWaalsContact C-N 3.26Å; P320-K322 PolarHBondContact O-N 2.98Å
323N90.7Very high86.6Confident50 Ų50107.8 Ų107.827%0.26755%0.552SS.*  trans-125.6106.6-174.9-171.7-51.7000110.6N319 Q325 A326 L327N319-N323 WeakPolarHBondContact O-CB 3.31Å; N319-N323 PolarHBondContact O-N 3.44Å; N323-Q325 VanDerWaalsContact C-N 3.32Å; N323-Q325 PolarHBondContact O-N 3.44Å; N323-Q325 WeakPolarHBondContact OD1-CB 3.39Å; N323-Q325 PolarHBondContact OD1-N 2.99Å; N323-Q325 VanDerWaalsContact OD1-N 3.12Å; N323-A326 HydrophobicContact CB-CB 4.02Å; N323-A326 WeakPolarHBondContact O-CB 3.45Å; N323-A326 PolarHBondContact O-N 3.37Å; N323-A326 VanDerWaalsContact O-N 3.09Å; N323-A326 PolarHBondContact OD1-N 2.84Å; N323-A326 VanDerWaalsContact OD1-N 3.14Å; N323-L327 PolarHBondContact O-N 3.39Å
324L89Confident87.7Confident75 Ų75105.8 Ų105.839%0.39353%0.532SS..Hα-helixtrans-59-39.1-177.2-176.364.1000112.8A326 L327 L328L324-A326 VanDerWaalsContact C-N 3.31Å; L324-A326 PolarHBondContact O-N 3.47Å; L324-L327 HydrophobicContact CD1-CD2 4.4Å; L324-L327 WeakPolarHBondContact O-CB 3.36Å; L324-L327 PolarHBondContact O-N 3.21Å; L324-L327 VanDerWaalsContact O-N 3.15Å; L324-L328 HydrophobicContact CD1-CD1 4.39Å; L324-L328 HydrophobicContact CD1-CD2 4.45Å; L324-L328 HydrophobicContact CD1-CG 4.16Å; L324-L328 HydrophobicContact CG-CD1 4Å; L324-L328 HydrophobicContact CG-CG 4.2Å; L324-L328 VanDerWaalsContact O-CG 3.28Å; L324-L328 WeakPolarHBondContact O-CG 3.3Å; L324-L328 PolarHBondContact O-N 3.37Å
325Q90.8Very high88.9Confident145 Ų145103.4 Ų103.468%0.67851%0.511SS*.Hα-helixtrans-64.4-37.9177.9-67178.4-13.500111.7N323 K329N323-Q325 VanDerWaalsContact C-N 3.32Å; N323-Q325 PolarHBondContact O-N 3.44Å; N323-Q325 WeakPolarHBondContact OD1-CB 3.39Å; N323-Q325 PolarHBondContact OD1-N 2.99Å; N323-Q325 VanDerWaalsContact OD1-N 3.12Å; Q325-K329 WeakPolarHBondContact O-CB 3.43Å; Q325-K329 PolarHBondContact O-N 2.75Å; Q325-K329 VanDerWaalsContact O-N 3.07Å
326A91Very high89.8Confident16 Ų1695.9 Ų95.913%0.13249%0.49CS..Hα-helixtrans-68.3-36.3174.100000111.7K318 N323 L324 L330K318-A326 HydrophobicContact CB-CB 3.82Å; N323-A326 HydrophobicContact CB-CB 4.02Å; N323-A326 WeakPolarHBondContact O-CB 3.45Å; N323-A326 PolarHBondContact O-N 3.37Å; N323-A326 VanDerWaalsContact O-N 3.09Å; N323-A326 PolarHBondContact OD1-N 2.84Å; N323-A326 VanDerWaalsContact OD1-N 3.14Å; L324-A326 VanDerWaalsContact C-N 3.31Å; L324-A326 PolarHBondContact O-N 3.47Å; A326-L330 WeakPolarHBondContact O-CG 3.49Å; A326-L330 PolarHBondContact O-N 2.61Å
327L92.7Very high90.4Very high45 Ų4593.8 Ų93.824%0.23647%0.472CS..Hα-helixtrans-64.3-49.2173.6-170.860.7000111.7P320 N323 L324 K329 L330 N331 A334P320-L327 HydrophobicContact CB-CB 4.25Å; P320-L327 HydrophobicContact CB-CD1 4.06Å; P320-L327 WeakPolarHBondContact O-CB 3.45Å; N323-L327 PolarHBondContact O-N 3.39Å; L324-L327 HydrophobicContact CD1-CD2 4.4Å; L324-L327 WeakPolarHBondContact O-CB 3.36Å; L324-L327 PolarHBondContact O-N 3.21Å; L324-L327 VanDerWaalsContact O-N 3.15Å; L327-K329 VanDerWaalsContact C-N 3.28Å; L327-K329 PolarHBondContact O-N 3.41Å; L327-L330 CarbonylContact O-C 3Å; L327-L330 PolarHBondContact O-N 3.18Å; L327-N331 PolarHBondContact O-N 3.09Å; L327-A334 HydrophobicContact CD1-CB 4.26Å; L327-A334 HydrophobicContact CD2-CB 3.67Å; L327-A334 HydrophobicContact CG-CB 3.65Å
328L92.5Very high90.5Very high57 Ų5789.4 Ų89.430%0.29845%0.453SS..Hα-helixtrans-64.5-32.9-178.9-66.9176.6000112.5L324 L330 L335L324-L328 HydrophobicContact CD1-CD1 4.39Å; L324-L328 HydrophobicContact CD1-CD2 4.45Å; L324-L328 HydrophobicContact CD1-CG 4.16Å; L324-L328 HydrophobicContact CG-CD1 4Å; L324-L328 HydrophobicContact CG-CG 4.2Å; L324-L328 VanDerWaalsContact O-CG 3.28Å; L324-L328 WeakPolarHBondContact O-CG 3.3Å; L324-L328 PolarHBondContact O-N 3.37Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L328-L330 PolarHBondContact O-N 2.97Å; L328-L335 HydrophobicContact CD2-CB 3.67Å; L328-L335 HydrophobicContact CD2-CD1 4.26Å; L328-L335 HydrophobicContact CD2-CG 4.44Å
329K90.4Very high90.6Very high188 Ų18888.7 Ų88.782%0.81745%0.452SS*.Hα-helixtrans-67-29.4173.3-170.3172.5-175.8173.40112.9Q325 L327Q325-K329 WeakPolarHBondContact O-CB 3.43Å; Q325-K329 PolarHBondContact O-N 2.75Å; Q325-K329 VanDerWaalsContact O-N 3.07Å; L327-K329 VanDerWaalsContact C-N 3.28Å; L327-K329 PolarHBondContact O-N 3.41Å
330L92.5Very high90.6Very high130 Ų13091.9 Ų91.968%0.68146%0.462SS*.Hα-helixtrans-93.3-36.1-180-68.8174.6000112.9P320 A326 L327 L328P320-L330 HydrophobicContact CB-CD1 3.88Å; P320-L330 HydrophobicContact CG-CD1 3.97Å; A326-L330 WeakPolarHBondContact O-CG 3.49Å; A326-L330 PolarHBondContact O-N 2.61Å; L327-L330 CarbonylContact O-C 3Å; L327-L330 PolarHBondContact O-N 3.18Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L328-L330 PolarHBondContact O-N 2.97Å
331N92.6Very high90.6Very high63 Ų6396.4 Ų96.434%0.33748%0.479SS..  trans-142.698-176.6-176.92.2000110.1L327 F333 A334L327-N331 PolarHBondContact O-N 3.09Å; N331-F333 PolarHBondContact O-N 2.78Å; N331-F333 VanDerWaalsContact OD1-CB 3.28Å; N331-F333 WeakPolarHBondContact OD1-CB 3.31Å; N331-F333 PolarHBondContact OD1-N 3.22Å; N331-A334 HydrophobicContact CB-CB 4.29Å; N331-A334 VanDerWaalsContact O-CB 3.3Å; N331-A334 WeakPolarHBondContact O-CB 3.46Å; N331-A334 PolarHBondContact O-N 3.39Å
332P92.3Very high90.7Very high105 Ų10593.5 Ų93.568%0.68246%0.462SS*.THydrogen-bonded Turntrans-65.7-26.6177.626.5-33.6000112.8A334 L335P332-A334 PolarHBondContact O-N 3.3Å; P332-L335 PolarHBondContact O-N 3.36Å
333F91.9Very high90.8Very high137 Ų13787.2 Ų87.260%0.60145%0.445SS*.Hα-helixtrans-67.3-22.6177.8-179.2-102000112.9N331 L335 G336 E337N331-F333 PolarHBondContact O-N 2.78Å; N331-F333 VanDerWaalsContact OD1-CB 3.28Å; N331-F333 WeakPolarHBondContact OD1-CB 3.31Å; N331-F333 PolarHBondContact OD1-N 3.22Å; F333-L335 PolarHBondContact O-N 3.16Å; F333-G336 PolarHBondContact O-N 3.37Å; F333-E337 HydrophobicContact CD1-CB 4.15Å; F333-E337 HydrophobicContact CE1-CB 3.86Å; F333-E337 HydrophobicContact CE1-CG 4.2Å; F333-E337 PolarHBondContact O-N 3.37Å
334A91.2Very high90.7Very high8 Ų889.1 Ų89.17%0.06646%0.455CS..Hα-helixtrans-58.3-25.5179.600000113.3L327 N331 P332 K338L327-A334 HydrophobicContact CD1-CB 4.26Å; L327-A334 HydrophobicContact CD2-CB 3.67Å; L327-A334 HydrophobicContact CG-CB 3.65Å; N331-A334 HydrophobicContact CB-CB 4.29Å; N331-A334 VanDerWaalsContact O-CB 3.3Å; N331-A334 WeakPolarHBondContact O-CB 3.46Å; N331-A334 PolarHBondContact O-N 3.39Å; P332-A334 PolarHBondContact O-N 3.3Å; A334-K338 VanDerWaalsContact O-CB 3.23Å; A334-K338 WeakPolarHBondContact O-CB 3.39Å; A334-K338 PolarHBondContact O-N 3.35Å; A334-K338 VanDerWaalsContact O-N 3.08Å
335L90.3Very high90.8Very high73 Ų7388.3 Ų88.338%0.38246%0.459SS..Hα-helixtrans-67.5-50.6173.3-166.965.1000111.3L328 P332 F333 K338 H339L328-L335 HydrophobicContact CD2-CB 3.67Å; L328-L335 HydrophobicContact CD2-CD1 4.26Å; L328-L335 HydrophobicContact CD2-CG 4.44Å; P332-L335 PolarHBondContact O-N 3.36Å; F333-L335 PolarHBondContact O-N 3.16Å; L335-K338 PolarHBondContact O-N 3.06Å; L335-H339 PolarHBondContact O-CD2 3.23Å; L335-H339 PolarHBondContact O-N 3.38Å
336G88.8Confident90.7Very high38 Ų3889.4 Ų89.439%0.39246%0.457SS..Hα-helixtrans-62.5-44.1178.700000111.8F333 K338 H339 F340F333-G336 PolarHBondContact O-N 3.37Å; G336-K338 VanDerWaalsContact C-N 3.35Å; G336-K338 PolarHBondContact O-N 3.33Å; G336-H339 PolarHBondContact O-N 3.49Å; G336-F340 WeakPolarHBondContact O-CB 3.28Å; G336-F340 PolarHBondContact O-N 3.3Å
337E89.8Confident90.6Very high73 Ų7391.7 Ų91.734%0.34148%0.476SS..Hα-helixtrans-61.6-42176.5-163.8-168.5159.700111.9F333 F340 K341F333-E337 HydrophobicContact CD1-CB 4.15Å; F333-E337 HydrophobicContact CE1-CB 3.86Å; F333-E337 HydrophobicContact CE1-CG 4.2Å; F333-E337 PolarHBondContact O-N 3.37Å; E337-F340 PolarHBondContact O-N 3.37Å; E337-K341 WeakPolarHBondContact O-CB 3.38Å; E337-K341 WeakPolarHBondContact O-CG 3.31Å; E337-K341 PolarHBondContact O-N 3.42Å; E337-K341 WeakPolarHBondContact OE1-CE 3.43Å; E337-K341 IonicContact OE1-NZ 3.84Å; E337-K341 PolarHBondContact OE1-NZ 3.09Å
338K87.9Confident90.4Very high100 Ų10094 Ų9444%0.43549%0.487SS..Hα-helixtrans-63-44175-174.8-177.5179.2-174.20111.3A334 L335 G336 K341 M342A334-K338 VanDerWaalsContact O-CB 3.23Å; A334-K338 WeakPolarHBondContact O-CB 3.39Å; A334-K338 PolarHBondContact O-N 3.35Å; A334-K338 VanDerWaalsContact O-N 3.08Å; L335-K338 PolarHBondContact O-N 3.06Å; G336-K338 VanDerWaalsContact C-N 3.35Å; G336-K338 PolarHBondContact O-N 3.33Å; K338-K341 PolarHBondContact O-N 3.11Å; K338-M342 HydrophobicContact CG-SD 4.24Å; K338-M342 WeakPolarHBondContact O-CB 3.19Å; K338-M342 VanDerWaalsContact O-CG 3.25Å; K338-M342 WeakPolarHBondContact O-CG 3.49Å; K338-M342 PolarHBondContact O-N 3.11Å
339H89.7Confident90.1Very high112 Ų11298.2 Ų98.252%0.51950%0.503SS..Hα-helixtrans-63.7-44.1178-74.7-153.1000111.3L335 G336 M342 A343L335-H339 PolarHBondContact O-CD2 3.23Å; L335-H339 PolarHBondContact O-N 3.38Å; G336-H339 PolarHBondContact O-N 3.49Å; H339-M342 PolarHBondContact O-N 2.85Å; H339-A343 WeakPolarHBondContact O-CB 3.39Å; H339-A343 PolarHBondContact O-N 3.05Å
340F90.3Very high89.9Confident143 Ų14393.8 Ų93.863%0.62749%0.488SS*.Hα-helixtrans-61.6-47.4176.6-172.6-97.3000111.8G336 E337 M342 A343 L344G336-F340 WeakPolarHBondContact O-CB 3.28Å; G336-F340 PolarHBondContact O-N 3.3Å; E337-F340 PolarHBondContact O-N 3.37Å; F340-M342 VanDerWaalsContact C-N 3.34Å; F340-M342 PolarHBondContact O-N 3.04Å; F340-A343 PolarHBondContact O-N 3.31Å; F340-L344 HydrophobicContact CE1-CD1 4.02Å; F340-L344 HydrophobicContact CZ-CD1 4.44Å; F340-L344 WeakPolarHBondContact O-CB 3.35Å; F340-L344 PolarHBondContact O-N 3.42Å
341K90.3Very high89.5Confident127 Ų12789 Ų8955%0.55247%0.471SS*.Hα-helixtrans-60.3-40.9175.1-74.9179.1-176.4171.20112.4E337 K338 L344 A345E337-K341 WeakPolarHBondContact O-CB 3.38Å; E337-K341 WeakPolarHBondContact O-CG 3.31Å; E337-K341 PolarHBondContact O-N 3.42Å; E337-K341 WeakPolarHBondContact OE1-CE 3.43Å; E337-K341 IonicContact OE1-NZ 3.84Å; E337-K341 PolarHBondContact OE1-NZ 3.09Å; K338-K341 PolarHBondContact O-N 3.11Å; K341-L344 PolarHBondContact O-N 3.37Å; K341-A345 WeakPolarHBondContact O-CB 3.26Å; K341-A345 PolarHBondContact O-N 3.36Å
342M90.2Very high88.9Confident91 Ų9192.8 Ų92.845%0.44848%0.484SS..Hα-helixtrans-65.7-40.3176.3-75-179.469.700112.3K338 H339 F340 R346K338-M342 HydrophobicContact CG-SD 4.24Å; K338-M342 WeakPolarHBondContact O-CB 3.19Å; K338-M342 VanDerWaalsContact O-CG 3.25Å; K338-M342 WeakPolarHBondContact O-CG 3.49Å; K338-M342 PolarHBondContact O-N 3.11Å; H339-M342 PolarHBondContact O-N 2.85Å; F340-M342 VanDerWaalsContact C-N 3.34Å; F340-M342 PolarHBondContact O-N 3.04Å; M342-R346 WeakPolarHBondContact O-CG 3.41Å; M342-R346 PolarHBondContact O-N 3.23Å
343A91.2Very high88.3Confident56 Ų5692.6 Ų92.646%0.46348%0.477SS..Hα-helixtrans-64-45.1175.500000111.5H339 F340 A345 R346 A347H339-A343 WeakPolarHBondContact O-CB 3.39Å; H339-A343 PolarHBondContact O-N 3.05Å; F340-A343 PolarHBondContact O-N 3.31Å; A343-A345 PolarHBondContact O-N 3.28Å; A343-R346 WeakPolarHBondContact O-CB 3.14Å; A343-R346 PolarHBondContact O-N 3.04Å; A343-A347 PolarHBondContact O-N 3.17Å
344L90.6Very high87.6Confident90 Ų9093.9 Ų93.947%0.47148%0.483SS..Hα-helixtrans-63.7-41.7178.4-163.6144.9000111.8F340 K341 R346 A347 I348F340-L344 HydrophobicContact CE1-CD1 4.02Å; F340-L344 HydrophobicContact CZ-CD1 4.44Å; F340-L344 WeakPolarHBondContact O-CB 3.35Å; F340-L344 PolarHBondContact O-N 3.42Å; K341-L344 PolarHBondContact O-N 3.37Å; L344-R346 PolarHBondContact O-N 2.94Å; L344-A347 WeakPolarHBondContact O-CB 3.49Å; L344-A347 PolarHBondContact O-N 2.75Å; L344-I348 HydrophobicContact CD2-CD1 3.6Å; L344-I348 HydrophobicContact CD2-CG1 4.36Å; L344-I348 WeakPolarHBondContact O-CG1 3.34Å; L344-I348 PolarHBondContact O-N 3Å
345A89.7Confident86.8Confident58 Ų58102.8 Ų102.848%0.47951%0.514SS..Hα-helixtrans-63.8-39.3174.700000112.9K341 A343 I348 K349K341-A345 WeakPolarHBondContact O-CB 3.26Å; K341-A345 PolarHBondContact O-N 3.36Å; A343-A345 PolarHBondContact O-N 3.28Å; A345-I348 PolarHBondContact O-N 3.27Å; A345-K349 WeakPolarHBondContact O-CB 3.48Å; A345-K349 PolarHBondContact O-N 3.41Å
346R89.3Confident85.9Confident167 Ų167106.8 Ų106.863%0.6353%0.529SS*.Hα-helixtrans-62.7-43.3173.3-75.1175-178.7175.60.1111.2M342 A343 L344 K349 N350M342-R346 WeakPolarHBondContact O-CG 3.41Å; M342-R346 PolarHBondContact O-N 3.23Å; A343-R346 WeakPolarHBondContact O-CB 3.14Å; A343-R346 PolarHBondContact O-N 3.04Å; L344-R346 PolarHBondContact O-N 2.94Å; R346-K349 PolarHBondContact O-N 3.23Å; R346-N350 WeakPolarHBondContact O-CB 3.38Å; R346-N350 VanDerWaalsContact O-CG 3.26Å; R346-N350 PolarHBondContact O-N 3.37Å
347A88.5Confident85.1Confident64 Ų64107.8 Ų107.853%0.52953%0.533SS..Hα-helixtrans-60.7-45.8176.600000112.3A343 L344 K349 N350 G351A343-A347 PolarHBondContact O-N 3.17Å; L344-A347 WeakPolarHBondContact O-CB 3.49Å; L344-A347 PolarHBondContact O-N 2.75Å; A347-K349 PolarHBondContact O-N 3.38Å; A347-N350 PolarHBondContact O-N 3.37Å; A347-G351 PolarHBondContact O-N 2.98Å
348I88.8Confident84Confident93 Ų93106.6 Ų106.648%0.47754%0.536SS..Hα-helixtrans-61.6-43.7176.2-67.1171000111.5L344 A345 G351 K352L344-I348 HydrophobicContact CD2-CD1 3.6Å; L344-I348 HydrophobicContact CD2-CG1 4.36Å; L344-I348 WeakPolarHBondContact O-CG1 3.34Å; L344-I348 PolarHBondContact O-N 3Å; A345-I348 PolarHBondContact O-N 3.27Å; I348-G351 PolarHBondContact O-N 2.91Å; I348-K352 PolarHBondContact O-N 3.13Å
349K86.8Confident82.7Confident146 Ų146106.7 Ų106.764%0.63554%0.541SS*.Hα-helixtrans-62.5-44.3178.9-170.8179.1179.2-177.30111.3A345 R346 A347 G351 K352 L353A345-K349 WeakPolarHBondContact O-CB 3.48Å; A345-K349 PolarHBondContact O-N 3.41Å; R346-K349 PolarHBondContact O-N 3.23Å; A347-K349 PolarHBondContact O-N 3.38Å; K349-G351 VanDerWaalsContact C-N 3.34Å; K349-G351 PolarHBondContact O-N 3.1Å; K349-K352 PolarHBondContact O-N 2.83Å; K349-L353 HydrophobicContact CG-CD1 4.47Å; K349-L353 WeakPolarHBondContact O-CG 3.47Å; K349-L353 PolarHBondContact O-N 2.82Å
350N85.4Confident81.2Confident95 Ų95109.8 Ų109.851%0.50855%0.553SS.*Hα-helixtrans-64-38.7176.1-69.5-6.4000111.7R346 A347 L353 K354R346-N350 WeakPolarHBondContact O-CB 3.38Å; R346-N350 VanDerWaalsContact O-CG 3.26Å; R346-N350 PolarHBondContact O-N 3.37Å; A347-N350 PolarHBondContact O-N 3.37Å; N350-L353 PolarHBondContact O-N 3.43Å; N350-K354 PolarHBondContact O-N 2.91Å
351G83.8Confident79.6Confident31 Ų31108 Ų10832%0.3255%0.554SS.*Hα-helixtrans-63.2-42.1173.900000113.5A347 I348 K349 K354 R355A347-G351 PolarHBondContact O-N 2.98Å; I348-G351 PolarHBondContact O-N 2.91Å; K349-G351 VanDerWaalsContact C-N 3.34Å; K349-G351 PolarHBondContact O-N 3.1Å; G351-K354 PolarHBondContact O-N 2.77Å; G351-R355 PolarHBondContact O-N 2.91Å
352K81.1Confident78Confident141 Ų141108 Ų10861%0.61356%0.56SS**Hα-helixtrans-64.5-38.3174.7-74.6-174.7178.4-175.30112.5I348 K349 R355 K356I348-K352 PolarHBondContact O-N 3.13Å; K349-K352 PolarHBondContact O-N 2.83Å; K352-R355 PolarHBondContact O-N 2.83Å; K352-K356 WeakPolarHBondContact O-CB 3.47Å; K352-K356 WeakPolarHBondContact O-CG 3.36Å; K352-K356 PolarHBondContact O-N 2.8Å
353L78.6Confident76.3Confident102 Ų102111.8 Ų111.853%0.53458%0.577SS.*Hα-helixtrans-64.7-42.6175.2-72.7166.7000111.4K349 N350 K356 A357K349-L353 HydrophobicContact CG-CD1 4.47Å; K349-L353 WeakPolarHBondContact O-CG 3.47Å; K349-L353 PolarHBondContact O-N 2.82Å; N350-L353 PolarHBondContact O-N 3.43Å; L353-K356 PolarHBondContact O-N 3.4Å; L353-A357 WeakPolarHBondContact O-CB 3.24Å; L353-A357 PolarHBondContact O-N 3.08Å
354K78.1Confident74.4Confident164 Ų164112.5 Ų112.571%0.71358%0.582SS**Hα-helixtrans-62.3-43.8173.9-75.4-172.6175.9-171.20112.9N350 G351 A357 A358N350-K354 PolarHBondContact O-N 2.91Å; G351-K354 PolarHBondContact O-N 2.77Å; K354-A357 WeakPolarHBondContact O-CB 3.16Å; K354-A357 PolarHBondContact O-N 3.42Å; K354-A358 PolarHBondContact O-N 3.23Å
355R74.2Confident72.3Confident194 Ų194113.5 Ų113.573%0.73259%0.594SS**Hα-helixtrans-64.1-40.9175.9-73.7-176.9-178.5169.9-0.6112.8G351 K352 A357 A358 N359G351-R355 PolarHBondContact O-N 2.91Å; K352-R355 PolarHBondContact O-N 2.83Å; R355-A357 VanDerWaalsContact C-N 3.28Å; R355-A357 PolarHBondContact O-N 3.4Å; R355-A358 PolarHBondContact O-N 2.74Å; R355-N359 PolarHBondContact O-N 3.48Å; R355-N359 PolarHBondContact O-OD1 2.6Å
356K71.9Confident70.2Confident158 Ų158117 Ų11769%0.68761%0.612SS**Hα-helixtrans-64-33.3172.8-79.9-171.8172.9-168.60112.7K352 L353 K360K352-K356 WeakPolarHBondContact O-CB 3.47Å; K352-K356 WeakPolarHBondContact O-CG 3.36Å; K352-K356 PolarHBondContact O-N 2.8Å; L353-K356 PolarHBondContact O-N 3.4Å; K356-K360 PolarHBondContact O-N 3.26Å
357A72.1Confident68.3Low59 Ų59118.6 Ų118.649%0.48862%0.623SS.*Hα-helixtrans-69.8-41.7173.600000111.6L353 K354 R355 K360 V361L353-A357 WeakPolarHBondContact O-CB 3.24Å; L353-A357 PolarHBondContact O-N 3.08Å; K354-A357 WeakPolarHBondContact O-CB 3.16Å; K354-A357 PolarHBondContact O-N 3.42Å; R355-A357 VanDerWaalsContact C-N 3.28Å; R355-A357 PolarHBondContact O-N 3.4Å; A357-K360 PolarHBondContact O-N 2.71Å; A357-V361 WeakPolarHBondContact O-CG2 3.32Å
358A65.6Low66.3Low48 Ų48124.7 Ų124.740%0.39764%0.641SS.*Hα-helixtrans-65.1-47.6177.400000112.8K354 R355 K360 V361 D362K354-A358 PolarHBondContact O-N 3.23Å; R355-A358 PolarHBondContact O-N 2.74Å; A358-K360 PolarHBondContact O-N 3.29Å; A358-K360 VanDerWaalsContact O-N 3.16Å; A358-V361 WeakPolarHBondContact O-CA 3.29Å; A358-V361 WeakPolarHBondContact O-CB 3.15Å; A358-V361 PolarHBondContact O-N 3.37Å; A358-D362 PolarHBondContact O-N 2.75Å
359N60.9Low64.1Low102 Ų102124.5 Ų124.555%0.54565%0.653SS.*Hα-helixtrans-63.5-25178.3-7221.4000113.1R355 V361 D362 E363R355-N359 PolarHBondContact O-N 3.48Å; R355-N359 PolarHBondContact O-OD1 2.6Å; N359-V361 VanDerWaalsContact C-N 3.26Å; N359-V361 PolarHBondContact O-N 3.47Å; N359-D362 PolarHBondContact O-N 3.22Å; N359-E363 PolarHBondContact O-N 2.69Å
360K57.2Low62.2Low176 Ų176127.9 Ų127.977%0.76567%0.668SS**Hα-helixtrans-72.7-18.2172.6-106.7-173.7173.6-169.50113.5K356 A357 A358K356-K360 PolarHBondContact O-N 3.26Å; A357-K360 PolarHBondContact O-N 2.71Å; A358-K360 PolarHBondContact O-N 3.29Å; A358-K360 VanDerWaalsContact O-N 3.16Å
361V57.2Low60.1Low107 Ų107129.2 Ų129.265%0.64868%0.683SS**Hα-helixtrans-87-31.4175.1-178.80000110.4A357 A358 N359A357-V361 WeakPolarHBondContact O-CG2 3.32Å; A358-V361 WeakPolarHBondContact O-CA 3.29Å; A358-V361 WeakPolarHBondContact O-CB 3.15Å; A358-V361 PolarHBondContact O-N 3.37Å; N359-V361 VanDerWaalsContact C-N 3.26Å; N359-V361 PolarHBondContact O-N 3.47Å
362D57Low59Low127 Ų127134.4 Ų134.468%0.67971%0.708SS**Hα-helixtrans-80.3-12.1-178.2-61.2-32.3000114.3A358 N359A358-D362 PolarHBondContact O-N 2.75Å; N359-D362 PolarHBondContact O-N 3.22Å
363E53.7Low57.6Low170 Ų170136.8 Ų136.879%0.79472%0.718SS**THydrogen-bonded Turntrans-93.416.6177.2-78-179.9170.400114.1N359N359-E363 PolarHBondContact O-N 2.69Å
364A51.1Low56.5Low70 Ų70138.4 Ų138.458%0.57973%0.732SS**SBendtrans-84.9135.4172.300000111.3
365P48.1Very low55Low112 Ų112143.8 Ų143.873%0.72776%0.756SS**PPolyproline II helixtrans-67.3156.6-17528.7-34.2000112.4
366P44.7Very low54.1Low130 Ų130141.3 Ų141.384%0.84476%0.757SS**PPolyproline II helixtrans-71.9136.3-172.430.8-33.2000110.9
367K50.7Low53.2Low201 Ų201140.4 Ų140.487%0.87476%0.761SS**  trans-97.8106.3166.3-72.8-174.2178.3-178.40109.8
368E45.4Very low52.1Low193 Ų193144.9 Ų144.990%0.90278%0.776SS**  trans-63.4147.2150-65.2177149.200109.4
369A43Very low51.3Low88 Ų88150.6 Ų150.673%0.72780%0.798SS**  cis-170.1141.5-49.900000107.2
370K45.6Very low50.7Low218 Ų218153.6 Ų153.695%0.94881%0.814SS**  trans177.5145.8152-98.7162.1-168.6-174.10111.6
371C41.6Very low50.3Low122 Ų122152.1 Ų152.182%0.82482%0.817SS**  trans-104.6144.3-164.8-168.20000113
372V61.4Low49.8Very low140 Ų140155.4 Ų155.485%0.84883%0.829SS**  trans-150.9128.4165.1176.90000110.5
373K52.1Low49.2Very low191 Ų191157.5 Ų157.583%0.8384%0.841SS**  trans-75.5151.5163.6-75173.5171.41760109.8
374V55Low48.9Very low136 Ų136156.5 Ų156.582%0.82484%0.844SS**  trans-179.1128.9130.8152.80000111.9
375K47.6Very low48.7Very low277 Ų277164.4 Ų164.4100%1.20487%0.869SS**  trans63.40165.1-80.4176.9178.8-176.80118.1

Retrieved 375 of 375 residues in 98.9 ms (Link to these results)

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