Q9ASK5_ORYSJ Loading...

Os01g0110400 protein

AlphaFold DB , UniProt , Accession Q9ASK5, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 416 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
1M45.1Very low53.7Low243 Ų24399.8 Ų99.8100%1.19758%0.578SS**  0117.50-77.4174.2178.800107.2
2A43.2Very low56.7Low92 Ų9292.3 Ų92.376%0.7653%0.534SS*.PPolyproline II helixtrans-64.7141.2169.600000108.5
3P43.2Very low59.6Low100 Ų10095.9 Ų95.965%0.64954%0.54SS*.PPolyproline II helixtrans-57.7145173.424.3-31.2000109.3
4P46.5Very low62.3Low106 Ų10694.5 Ų94.569%0.68854%0.537SS*.PPolyproline II helixtrans-57.2145.217525.4-32000108.9H6P4-H6 PolarHBondContact O-N 2.68Å; P4-H6 VanDerWaalsContact O-N 3.07Å
5P47.3Very low64.6Low121 Ų12194.4 Ų94.479%0.78652%0.524SS*.PPolyproline II helixtrans-54.6122.4176.622.8-31.5000108.3S7P5-S7 PolarHBondContact O-N 2.85Å; P5-S7 VanDerWaalsContact O-N 3.15Å
6H47.2Very low66.7Low150 Ų15090.5 Ų90.569%0.69450%0.502SS*.PPolyproline II helixtrans-52.9124.6176.1-71.9-68.2000108.4P4P4-H6 PolarHBondContact O-N 2.68Å; P4-H6 VanDerWaalsContact O-N 3.07Å
7S54.9Low68.5Low28 Ų2885.2 Ų85.220%0.19647%0.473CS..PPolyproline II helixtrans-64.7139.1176.468.30000108.3P5 S9 D10P5-S7 PolarHBondContact O-N 2.85Å; P5-S7 VanDerWaalsContact O-N 3.15Å; S7-S9 VanDerWaalsContact CB-OG 3.3Å; S7-S9 WeakPolarHBondContact CB-OG 3.45Å; S7-S9 PolarHBondContact O-N 2.98Å; S7-S9 PolarHBondContact OG-OG 3.35Å; S7-D10 PolarHBondContact N-OD2 3.22Å; S7-D10 WeakPolarHBondContact O-CB 3.38Å; S7-D10 PolarHBondContact O-N 3.47Å; S7-D10 PolarHBondContact OG-OD2 3.43Å
8D61.4Low70.2Confident34 Ų3480.5 Ų80.518%0.18245%0.447CS..G310 helixtrans-54.1-23.6174.5-87.3-11.6000111.7D10 L11 K385 M406 Q407D8-D10 VanDerWaalsContact C-N 3.29Å; D8-D10 PolarHBondContact O-N 3.2Å; D8-L11 WeakPolarHBondContact O-CB 3.49Å; D8-L11 PolarHBondContact O-N 2.92Å; D8-K385 IonicContact OD2-NZ 2.74Å; D8-K385 PolarHBondContact OD2-NZ 3.47Å; D8-M406 HydrophobicContact CB-CE 3.76Å; D8-M406 WeakPolarHBondContact O-CE 3.24Å; D8-Q407 PolarHBondContact OD2-N 2.8Å; D8-Q407 VanDerWaalsContact OD2-N 3.07Å
9S58.2Low71.7Confident15 Ų1576.3 Ų76.311%0.10542%0.423CS..G310 helixtrans-62.1-29.8173.137.80000114S7 L11 L12 K279 S409 F411S7-S9 VanDerWaalsContact CB-OG 3.3Å; S7-S9 WeakPolarHBondContact CB-OG 3.45Å; S7-S9 PolarHBondContact O-N 2.98Å; S7-S9 PolarHBondContact OG-OG 3.35Å; S9-L11 PolarHBondContact O-N 3.39Å; S9-L12 WeakPolarHBondContact O-CB 3.39Å; S9-L12 PolarHBondContact O-N 3.23Å; S9-K279 WeakPolarHBondContact O-CE 3.45Å; S9-K279 PolarHBondContact O-NZ 2.96Å; S9-S409 WeakPolarHBondContact OG-CB 3.35Å; S9-F411 WeakPolarHBondContact OG-CE2 3.44Å
10D62Low73Confident96 Ų9672.7 Ų72.751%0.51340%0.403SS..G310 helixtrans-65.9-26.9177.4-65-41.3000111.4S7 D8 L12 K279S7-D10 PolarHBondContact N-OD2 3.22Å; S7-D10 WeakPolarHBondContact O-CB 3.38Å; S7-D10 PolarHBondContact O-N 3.47Å; S7-D10 PolarHBondContact OG-OD2 3.43Å; D8-D10 VanDerWaalsContact C-N 3.29Å; D8-D10 PolarHBondContact O-N 3.2Å; D10-L12 PolarHBondContact O-N 3.19Å; D10-K279 PolarHBondContact O-NZ 3.33Å
11L81.1Confident74.2Confident113 Ų11369.2 Ų69.259%0.59238%0.384SS*.G310 helixtrans-81-8.6179.4-58.8174.4000114.4D8 S9 K13D8-L11 WeakPolarHBondContact O-CB 3.49Å; D8-L11 PolarHBondContact O-N 2.92Å; S9-L11 PolarHBondContact O-N 3.39Å; L11-K13 PolarHBondContact O-N 3.17Å
12L90.2Very high76.8Confident9 Ų957.7 Ų57.75%0.04733%0.327CS..  trans-69.5120.6179.2-73.4172.1000111.5S9 D10 D16 K279 V285 M406S9-L12 WeakPolarHBondContact O-CB 3.39Å; S9-L12 PolarHBondContact O-N 3.23Å; D10-L12 PolarHBondContact O-N 3.19Å; L12-D16 WeakPolarHBondContact CA-OD2 3.29Å; L12-D16 HydrophobicContact CD2-CB 4.12Å; L12-K279 WeakPolarHBondContact O-CE 3.41Å; L12-K279 PolarHBondContact O-NZ 3.39Å; L12-V285 HydrophobicContact CD1-CG2 3.88Å; L12-M406 HydrophobicContact CD2-CE 3.84Å; L12-M406 HydrophobicContact CG-CE 4.08Å
13K95.1Very high79.4Confident140 Ų14053.3 Ų53.361%0.60929%0.291SS*.  trans-77.4156.9172.7-59.6178.9-178.6178.40110.5L11 R15 D16 G275L11-K13 PolarHBondContact O-N 3.17Å; K13-R15 PolarHBondContact O-N 3.22Å; K13-R15 VanDerWaalsContact O-N 3.08Å; K13-D16 PolarHBondContact N-OD2 3.07Å; K13-D16 WeakPolarHBondContact O-CB 3.43Å; K13-D16 PolarHBondContact O-N 3.26Å; K13-D16 VanDerWaalsContact O-N 3.07Å; K13-G275 WeakPolarHBondContact O-CA 3.29Å
14P96.2Very high82.1Confident76 Ų7648.6 Ų48.649%0.49426%0.26SS..THydrogen-bonded Turntrans-53.2-36.6-175.9-30.136.3000115.1G275 Q276P14-G275 PolarHBondContact O-N 3.05Å; P14-Q276 HydrophobicContact CB-CB 4.13Å; P14-Q276 PolarHBondContact O-N 3.43Å
15R97.2Very high84.6Confident93 Ų9343.6 Ų43.635%0.35123%0.228SC..THydrogen-bonded Turntrans-108.216.5-177.9-60.6-60.4-179.1-168.8-5.1114K13 I115 D121K13-R15 PolarHBondContact O-N 3.22Å; K13-R15 VanDerWaalsContact O-N 3.08Å; R15-I115 WeakPolarHBondContact CD-O 3.48Å; R15-D121 IonicContact CZ-OD1 3.31Å; R15-D121 IonicContact NH1-OD1 3.73Å; R15-D121 PolarHBondContact NH1-OD1 2.8Å
16D97.8Very high87Confident32 Ų3237.8 Ų37.817%0.17119%0.19CC..  trans-61.8138.1165.3-77-9.5000109L12 K13 C18 S274 G275L12-D16 WeakPolarHBondContact CA-OD2 3.29Å; L12-D16 HydrophobicContact CD2-CB 4.12Å; K13-D16 PolarHBondContact N-OD2 3.07Å; K13-D16 WeakPolarHBondContact O-CB 3.43Å; K13-D16 PolarHBondContact O-N 3.26Å; K13-D16 VanDerWaalsContact O-N 3.07Å; D16-C18 PolarHBondContact O-N 3.28Å; D16-S274 CarbonylContact O-C 3.59Å; D16-G275 PolarHBondContact O-N 2.94Å
17V98.7Very high89.5Confident1 Ų130.9 Ų30.91%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-92.9105.1179.8-174.90000108.7A112 I115 Q116 L272 R288 I289V17-A112 HydrophobicContact CB-CB 4.44Å; V17-A112 HydrophobicContact CG1-CB 3.94Å; V17-A112 HydrophobicContact CG2-CB 4.1Å; V17-I115 HydrophobicContact CG1-CD1 4.16Å; V17-I115 HydrophobicContact CG2-CB 4.17Å; V17-I115 HydrophobicContact CG2-CG2 3.96Å; V17-Q116 HydrophobicContact CG2-CG 3.58Å; V17-L272 HydrophobicContact CG1-CB 4.15Å; V17-L272 HydrophobicContact CG1-CD1 4.04Å; V17-L272 HydrophobicContact CG1-CD2 4.19Å; V17-L272 HydrophobicContact CG1-CG 4.37Å; V17-R288 WeakPolarHBondContact O-CA 3.45Å; V17-I289 HydrophobicContact CB-CB 4.28Å; V17-I289 HydrophobicContact CG1-CD1 3.89Å; V17-I289 HydrophobicContact CG1-CG1 4.39Å; V17-I289 PolarHBondContact O-N 2.68Å
18C98.4Very high91.5Very high0 Ų029.6 Ų29.60%015%0.15CC..EExtended strand (participates in β ladder)trans-95.5132.1-175.3-58.30000110.5D16 V20 L272 V273 A278 V285 A287D16-C18 PolarHBondContact O-N 3.28Å; C18-V20 HydrophobicContact CB-CG1 4.34Å; C18-L272 CarbonylContact O-C 3.53Å; C18-L272 VanDerWaalsContact O-CA 3.28Å; C18-L272 WeakPolarHBondContact O-CA 3.41Å; C18-V273 WeakPolarHBondContact CA-O 3.44Å; C18-V273 VanDerWaalsContact CB-O 3.23Å; C18-V273 WeakPolarHBondContact CB-O 3.45Å; C18-V273 PolarHBondContact N-O 3.46Å; C18-V273 PolarHBondContact O-N 3.24Å; C18-A278 HydrophobicContact CB-CB 4.44Å; C18-V285 HydrophobicContact CB-CG1 3.78Å; C18-V285 HydrophobicContact CB-CG2 4.07Å; C18-A287 CarbonylContact C-O 3.44Å; C18-A287 WeakPolarHBondContact CA-O 3.49Å
19I98.6Very high93.3Very high0 Ų029.1 Ų29.10%015%0.15CC..EExtended strand (participates in β ladder)trans-86.9118.3166.4-61.2174.9000107.3V22 I270 L272 I286 A287 I289 L376 V403I19-V22 HydrophobicContact CG2-CG1 3.59Å; I19-I270 HydrophobicContact CB-CG2 4.41Å; I19-I270 HydrophobicContact CD1-CG2 4.31Å; I19-I270 HydrophobicContact CG1-CG2 4Å; I19-I270 HydrophobicContact CG2-CG2 3.74Å; I19-L272 HydrophobicContact CG1-CD2 3.65Å; I19-I286 HydrophobicContact CG2-CB 4.48Å; I19-I286 WeakPolarHBondContact O-CB 3.38Å; I19-I286 PolarHBondContact O-N 3.14Å; I19-A287 HydrophobicContact CB-CB 4.39Å; I19-A287 HydrophobicContact CD1-CB 4.37Å; I19-A287 PolarHBondContact N-O 3.14Å; I19-A287 PolarHBondContact O-N 2.87Å; I19-I289 HydrophobicContact CD1-CG1 4.16Å; I19-I289 HydrophobicContact CG1-CG1 4.28Å; I19-L376 HydrophobicContact CD1-CD1 3.99Å; I19-L376 HydrophobicContact CG2-CD1 4.07Å; I19-V403 HydrophobicContact CD1-CG1 4.04Å
20V98.3Very high95.1Very high4 Ų432 Ų322%0.02416%0.164CC..EExtended strand (participates in β ladder)trans-113.7-17.8-177.6-63.10000113.3C18 A54 V56 V271 V273 L283 V285C18-V20 HydrophobicContact CB-CG1 4.34Å; V20-A54 HydrophobicContact CB-CB 4.44Å; V20-A54 HydrophobicContact CG2-CB 3.88Å; V20-A54 WeakPolarHBondContact O-CA 3.4Å; V20-V56 HydrophobicContact CG2-CG2 4.32Å; V20-V271 HydrophobicContact CG2-CB 3.9Å; V20-V271 HydrophobicContact CG2-CG1 3.66Å; V20-V271 WeakPolarHBondContact CG2-O 3.17Å; V20-V271 PolarHBondContact N-O 3.13Å; V20-V273 HydrophobicContact CB-CG2 4.48Å; V20-V273 HydrophobicContact CG1-CB 4.12Å; V20-V273 HydrophobicContact CG1-CG2 4.19Å; V20-V273 HydrophobicContact CG2-CB 4.28Å; V20-V273 HydrophobicContact CG2-CG2 3.47Å; V20-V273 VanDerWaalsContact CG2-CG2 3.47Å; V20-L283 HydrophobicContact CB-CB 4.5Å; V20-L283 HydrophobicContact CB-CD1 4.4Å; V20-L283 HydrophobicContact CG1-CB 4.09Å; V20-L283 HydrophobicContact CG1-CD1 4.14Å; V20-L283 HydrophobicContact CG2-CD1 4.27Å; V20-V285 HydrophobicContact CG1-CG2 4.31Å
21G98.4Very high96.8Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-156.1148.6173.200000111.8I270 V271G21-I270 WeakPolarHBondContact O-CA 3.21Å; G21-V271 PolarHBondContact O-N 2.92Å
22V98.7Very high97.6Very high1 Ų129.1 Ų29.11%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-143.5149.2178.1-60.40000110.9I19 R53 W210 A269 I270 V373 L376I19-V22 HydrophobicContact CG2-CG1 3.59Å; V22-R53 WeakPolarHBondContact O-CD 3.14Å; V22-R53 PolarHBondContact O-NH1 3.49Å; V22-R53 VanDerWaalsContact O-NH1 3.09Å; V22-W210 HydrophobicContact CG2-CE3 4.01Å; V22-W210 HydrophobicContact CG2-CH2 3.26Å; V22-W210 HydrophobicContact CG2-CZ2 4.08Å; V22-W210 HydrophobicContact CG2-CZ3 3.2Å; V22-A269 WeakPolarHBondContact CA-O 3.25Å; V22-I270 HydrophobicContact CG1-CB 4.41Å; V22-I270 HydrophobicContact CG1-CG1 4.09Å; V22-I270 HydrophobicContact CG1-CG2 4.11Å; V22-V373 HydrophobicContact CB-CG1 4.2Å; V22-V373 HydrophobicContact CB-CG2 4.04Å; V22-V373 HydrophobicContact CG1-CG2 4.39Å; V22-V373 HydrophobicContact CG2-CG1 4.07Å; V22-L376 HydrophobicContact CG1-CD1 3.91Å
23A98.8Very high97.9Very high0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-155.5154.6168.100000110.7A49 A50 R53 E211 A213 A268 A269A23-A49 HydrophobicContact CB-CB 3.55Å; A23-A50 HydrophobicContact CB-CB 4.06Å; A23-R53 VanDerWaalsContact CB-NH1 3.32Å; A23-E211 CarbonylContact C-O 3.49Å; A23-E211 WeakPolarHBondContact CA-O 3.36Å; A23-A213 HydrophobicContact CB-CB 4.31Å; A23-A268 CarbonylContact O-C 3.51Å; A23-A268 VanDerWaalsContact O-CA 3.3Å; A23-A268 WeakPolarHBondContact O-CA 3.45Å; A23-A269 PolarHBondContact N-O 3.46Å; A23-A269 PolarHBondContact O-N 3.29Å
24R98.8Very high98Very high1 Ų123.6 Ų23.60%0.00413%0.133CC..EExtended strand (participates in β ladder)trans-134.1153.616464.4171.7-173.990.9-9.7110.1E211 I212 A213 D231 A267 A268R24-E211 HydrophobicContact CG-CB 4.3Å; R24-E211 HydrophobicContact CG-CG 4.41Å; R24-E211 IonicContact CZ-OE1 3.93Å; R24-E211 PolarHBondContact N-O 3.49Å; R24-E211 IonicContact NE-OE1 2.85Å; R24-E211 PolarHBondContact NE-OE1 3.42Å; R24-E211 IonicContact NH2-OE1 3.04Å; R24-E211 PolarHBondContact NH2-OE1 2.97Å; R24-E211 VanDerWaalsContact NH2-OE1 3.17Å; R24-I212 VanDerWaalsContact CZ-CG1 3.49Å; R24-I212 CarbonylContact O-C 3.53Å; R24-I212 VanDerWaalsContact O-CA 3.31Å; R24-I212 WeakPolarHBondContact O-CA 3.19Å; R24-A213 PolarHBondContact O-N 3.4Å; R24-D231 IonicContact CZ-OD1 2.67Å; R24-D231 IonicContact CZ-OD2 3.3Å; R24-D231 IonicContact NH1-OD1 3.71Å; R24-D231 PolarHBondContact NH1-OD1 3.38Å; R24-D231 IonicContact NH1-OD2 3.97Å; R24-D231 PolarHBondContact NH1-OD2 3.25Å; R24-D231 IonicContact NH2-OD1 3.64Å; R24-D231 IonicContact NH2-OD2 3.17Å; R24-D231 PolarHBondContact NH2-OD2 3.39Å; R24-A267 CarbonylContact C-O 3.52Å; R24-A267 WeakPolarHBondContact CA-O 3.41Å; R24-A267 WeakPolarHBondContact CB-O 3.39Å; R24-A268 HydrophobicContact CB-CB 3.83Å
25T98.9Very high98.1Very high1 Ų121.7 Ų21.71%0.00612%0.122CC..PPolyproline II helixtrans-67.8165.9162.365.70000109.1L42 V45 V215 G266 A267T25-L42 HydrophobicContact CG2-CB 4.3Å; T25-L42 HydrophobicContact CG2-CD2 4.36Å; T25-V45 HydrophobicContact CG2-CB 4.37Å; T25-V45 HydrophobicContact CG2-CG1 4.32Å; T25-V215 HydrophobicContact CG2-CG2 3.74Å; T25-G266 VanDerWaalsContact OG1-CA 3.32Å; T25-G266 WeakPolarHBondContact OG1-CA 3.29Å; T25-A267 HydrophobicContact CG2-CB 4.21Å; T25-A267 PolarHBondContact N-O 3.15Å; T25-A267 PolarHBondContact OG1-N 2.86Å; T25-A267 PolarHBondContact OG1-O 2.89Å
26P98.5Very high98.1Very high0 Ų020.8 Ų20.80%013%0.13CC..PPolyproline II helixtrans-55.5160.2155.8-16.429.8000110.1L34 I212 A213 V228 K230 D231P26-L34 VanDerWaalsContact O-CD1 3.25Å; P26-L34 WeakPolarHBondContact O-CD1 3.3Å; P26-I212 HydrophobicContact CG-CG2 3.78Å; P26-A213 WeakPolarHBondContact CD-O 3.46Å; P26-V228 HydrophobicContact CB-CG1 4.23Å; P26-V228 HydrophobicContact CG-CG1 4.14Å; P26-V228 VanDerWaalsContact CG-O 3.32Å; P26-V228 WeakPolarHBondContact CG-O 3.33Å; P26-K230 WeakPolarHBondContact CB-O 3.26Å; P26-D231 WeakPolarHBondContact CA-OD1 3.32Å
27I98.7Very high98.2Very high5 Ų520.4 Ų20.43%0.02613%0.127CC..PPolyproline II helixtrans-96.4118.9171.1-55.7-175.8000108.4D231 E232 D265 L360 P363 R370I27-D231 PolarHBondContact N-OD1 3.15Å; I27-E232 PolarHBondContact O-N 3.27Å; I27-D265 WeakPolarHBondContact CA-O 3.38Å; I27-L360 WeakPolarHBondContact CB-O 3.42Å; I27-L360 HydrophobicContact CD1-CB 4.05Å; I27-L360 WeakPolarHBondContact CG2-O 3.4Å; I27-P363 HydrophobicContact CG2-CG 4.46Å; I27-R370 HydrophobicContact CD1-CG 4.18Å
28G98.2Very high98.1Very high1 Ų123 Ų231%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-91.3146.5175.900000111.2S33 S264 D265G28-S33 WeakPolarHBondContact CA-OG 3.44Å; G28-S264 CarbonylContact O-C 3.54Å; G28-S264 WeakPolarHBondContact O-CA 3.47Å; G28-S264 VanDerWaalsContact O-CB 3.29Å; G28-S264 WeakPolarHBondContact O-CB 3.48Å; G28-D265 PolarHBondContact N-O 2.75Å; G28-D265 PolarHBondContact O-N 3.41Å
29A97.7Very high98.2Very high23 Ų2323 Ų2319%0.1914%0.144CC..EExtended strand (participates in β ladder)trans-75162173.100000111.3L31 G32 E232A29-L31 PolarHBondContact O-N 3.02Å; A29-G32 WeakPolarHBondContact O-CA 3.45Å; A29-G32 PolarHBondContact O-N 3.44Å; A29-E232 HydrophobicContact CB-CG 4.45Å; A29-E232 PolarHBondContact N-OE2 3.1Å; A29-E232 VanDerWaalsContact N-OE2 3.08Å
30L97.8Very high98.2Very high75 Ų7523.7 Ų23.739%0.39315%0.148SC..THydrogen-bonded Turntrans-50.6124.3170.1176.659.5000111.4G32 I263L30-G32 PolarHBondContact O-N 3.08Å; L30-G32 VanDerWaalsContact O-N 3.17Å; L30-I263 HydrophobicContact CB-CB 4Å; L30-I263 HydrophobicContact CB-CG2 3.83Å; L30-I263 HydrophobicContact CD1-CG2 3.77Å; L30-I263 HydrophobicContact CD2-CB 4.19Å; L30-I263 HydrophobicContact CD2-CD1 4.03Å; L30-I263 HydrophobicContact CD2-CG2 4.04Å; L30-I263 HydrophobicContact CG-CG2 4.07Å; L30-I263 PolarHBondContact N-O 3.13Å
31L97.6Very high98.2Very high130 Ų13028.3 Ų28.368%0.68117%0.168SC*.THydrogen-bonded Turntrans55.225.6-175.4-53.8177.6000113.2A29 S132A29-L31 PolarHBondContact O-N 3.02Å; L31-S132 PolarHBondContact N-OG 3.17Å
32G96.7Very high98.2Very high19 Ų1928.3 Ų28.320%0.19617%0.168CC..SBendtrans-99.5-143.6-177.100000112.7A29 L30 L34 S35A29-G32 WeakPolarHBondContact O-CA 3.45Å; A29-G32 PolarHBondContact O-N 3.44Å; L30-G32 PolarHBondContact O-N 3.08Å; L30-G32 VanDerWaalsContact O-N 3.17Å; G32-L34 VanDerWaalsContact C-N 3.3Å; G32-L34 PolarHBondContact O-N 3.22Å; G32-S35 WeakPolarHBondContact O-CB 3.47Å; G32-S35 PolarHBondContact O-N 2.79Å; G32-S35 PolarHBondContact O-OG 3.43Å
33S97Very high98.2Very high33 Ų3328.2 Ų28.223%0.23117%0.168CC..THydrogen-bonded Turntrans-56.6-33.9-170.450.50000114.9G28 I217 E232G28-S33 WeakPolarHBondContact CA-OG 3.44Å; S33-I217 WeakPolarHBondContact O-CD1 3.41Å; S33-E232 VanDerWaalsContact CB-OE2 3.29Å; S33-E232 WeakPolarHBondContact CB-OE2 3.5Å; S33-E232 PolarHBondContact N-OE2 3.41Å; S33-E232 PolarHBondContact OG-OE2 3.24Å
34L98.2Very high98.2Very high0 Ų028.4 Ų28.40%017%0.169CC..THydrogen-bonded Turntrans-102.21.7-177.8-61.1-177.2000114.2P26 G32 S36 L37 L42 V215 I217 V228 D265P26-L34 VanDerWaalsContact O-CD1 3.25Å; P26-L34 WeakPolarHBondContact O-CD1 3.3Å; G32-L34 VanDerWaalsContact C-N 3.3Å; G32-L34 PolarHBondContact O-N 3.22Å; L34-S36 PolarHBondContact O-N 3.13Å; L34-L37 PolarHBondContact O-N 3.17Å; L34-L42 HydrophobicContact CB-CD2 4.48Å; L34-L42 HydrophobicContact CD1-CD1 4.47Å; L34-L42 HydrophobicContact CD1-CD2 4.12Å; L34-L42 HydrophobicContact CD2-CD2 4.28Å; L34-V215 HydrophobicContact CD2-CB 4.13Å; L34-V215 HydrophobicContact CD2-CG1 4.06Å; L34-V215 HydrophobicContact CD2-CG2 4.33Å; L34-I217 HydrophobicContact CD2-CD1 4.29Å; L34-V228 HydrophobicContact CD2-CB 4.19Å; L34-V228 HydrophobicContact CD2-CG1 4.06Å; L34-V228 HydrophobicContact CD2-CG2 4.48Å; L34-D265 HydrophobicContact CB-CB 3.92Å; L34-D265 HydrophobicContact CD1-CB 4.4Å
35S97.8Very high98.2Very high37 Ų3729.5 Ų29.526%0.25918%0.176SC..THydrogen-bonded Turntrans-62.7-19.5-169.659.90000115.1G32 L37 N133G32-S35 WeakPolarHBondContact O-CB 3.47Å; G32-S35 PolarHBondContact O-N 2.79Å; G32-S35 PolarHBondContact O-OG 3.43Å; S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 2.83Å; S35-N133 PolarHBondContact O-ND2 2.99Å; S35-N133 PolarHBondContact O-OD1 2.98Å
36S97.4Very high98.2Very high74 Ų7429.4 Ų29.452%0.51718%0.175SC..THydrogen-bonded Turntrans-78.4-10.3177.361.90000114.3L34 I217L34-S36 PolarHBondContact O-N 3.13Å; S36-I217 WeakPolarHBondContact OG-CG2 3.45Å
37L98.2Very high98.3Very high23 Ų2329.4 Ų29.412%0.1218%0.175CC..SBendtrans-109.5134.7-174.3-59.1-177.3000111.6L34 S35 K41 L42 S130 N133 V215 I217L34-L37 PolarHBondContact O-N 3.17Å; S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 2.83Å; L37-K41 HydrophobicContact CD2-CG 4.36Å; L37-L42 HydrophobicContact CB-CD2 4.12Å; L37-L42 HydrophobicContact CB-CG 4.32Å; L37-L42 HydrophobicContact CD1-CD2 3.87Å; L37-S130 PolarHBondContact O-OG 2.83Å; L37-N133 PolarHBondContact O-ND2 2.77Å; L37-N133 VanDerWaalsContact O-ND2 3.1Å; L37-V215 HydrophobicContact CD1-CG1 3.31Å; L37-I217 HydrophobicContact CD1-CG1 4.17Å
38P98.4Very high98.3Very high55 Ų5533.6 Ų33.636%0.35720%0.195SC..  trans-69.3156.3171.930.8-35000110.8T40 K41 L42P38-T40 PolarHBondContact O-N 3.27Å; P38-T40 VanDerWaalsContact O-N 3.12Å; P38-K41 HydrophobicContact CG-CB 3.94Å; P38-K41 PolarHBondContact O-N 3.07Å; P38-L42 PolarHBondContact O-N 3.15Å
39A98.9Very high98.3Very high1 Ų134.1 Ų34.11%0.00820%0.199CC..Hα-helixtrans-52.2-38.2178.100000112.6K41 L42 G43 L74 M128A39-K41 VanDerWaalsContact C-N 3.35Å; A39-K41 PolarHBondContact O-N 3.38Å; A39-L42 PolarHBondContact O-N 3.24Å; A39-G43 PolarHBondContact O-N 2.97Å; A39-L74 HydrophobicContact CB-CD1 4.16Å; A39-L74 HydrophobicContact CB-CD2 4.43Å; A39-M128 HydrophobicContact CB-CG 4.34Å; A39-M128 VanDerWaalsContact O-SD 3.38Å
40T98.8Very high98.3Very high14 Ų1433 Ų339%0.08619%0.19CC..Hα-helixtrans-63.4-37.3-179.854.10000112.5P38 G43 S44 P78 Q81 M128P38-T40 PolarHBondContact O-N 3.27Å; P38-T40 VanDerWaalsContact O-N 3.12Å; T40-G43 PolarHBondContact O-N 2.85Å; T40-S44 PolarHBondContact O-N 2.97Å; T40-S44 PolarHBondContact O-OG 2.85Å; T40-P78 HydrophobicContact CG2-CB 3.86Å; T40-Q81 HydrophobicContact CG2-CB 3.8Å; T40-Q81 HydrophobicContact CG2-CG 4.45Å; T40-M128 HydrophobicContact CG2-CE 4.13Å
41K98.7Very high98.4Very high101 Ų10129.8 Ų29.844%0.43917%0.173SC..Hα-helixtrans-70-40.9175.8-177.158.8177.31780111.8L37 P38 A39 G43 S44 V45L37-K41 HydrophobicContact CD2-CG 4.36Å; P38-K41 HydrophobicContact CG-CB 3.94Å; P38-K41 PolarHBondContact O-N 3.07Å; A39-K41 VanDerWaalsContact C-N 3.35Å; A39-K41 PolarHBondContact O-N 3.38Å; K41-G43 VanDerWaalsContact C-N 3.31Å; K41-S44 WeakPolarHBondContact O-CB 3.43Å; K41-S44 PolarHBondContact O-N 3.04Å; K41-V45 WeakPolarHBondContact O-CG2 3.35Å; K41-V45 PolarHBondContact O-N 2.95Å; K41-V45 VanDerWaalsContact O-N 3.11Å
42L98.9Very high98.4Very high0 Ų032.1 Ų32.10%017%0.173CC..Hα-helixtrans-60.6-43.8173.3-60.9175.7000110.5T25 L34 L37 P38 A39 S44 V45 A46 V215 D265 A267T25-L42 HydrophobicContact CG2-CB 4.3Å; T25-L42 HydrophobicContact CG2-CD2 4.36Å; L34-L42 HydrophobicContact CB-CD2 4.48Å; L34-L42 HydrophobicContact CD1-CD1 4.47Å; L34-L42 HydrophobicContact CD1-CD2 4.12Å; L34-L42 HydrophobicContact CD2-CD2 4.28Å; L37-L42 HydrophobicContact CB-CD2 4.12Å; L37-L42 HydrophobicContact CB-CG 4.32Å; L37-L42 HydrophobicContact CD1-CD2 3.87Å; P38-L42 PolarHBondContact O-N 3.15Å; A39-L42 PolarHBondContact O-N 3.24Å; L42-S44 PolarHBondContact O-N 2.92Å; L42-V45 PolarHBondContact O-N 2.89Å; L42-A46 PolarHBondContact O-N 3.15Å; L42-A46 VanDerWaalsContact O-N 3.08Å; L42-V215 HydrophobicContact CD2-CG1 4.37Å; L42-D265 HydrophobicContact CD1-CB 4.25Å; L42-A267 HydrophobicContact CB-CB 3.83Å; L42-A267 WeakPolarHBondContact O-CB 3.38Å
43G98.9Very high98.5Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-56.3-45.8172.800000112.7A39 T40 K41 V45 A46 I47A39-G43 PolarHBondContact O-N 2.97Å; T40-G43 PolarHBondContact O-N 2.85Å; K41-G43 VanDerWaalsContact C-N 3.31Å; G43-V45 VanDerWaalsContact C-N 3.35Å; G43-V45 PolarHBondContact O-N 2.93Å; G43-A46 PolarHBondContact O-N 3.01Å; G43-I47 VanDerWaalsContact O-CG1 3.3Å; G43-I47 WeakPolarHBondContact O-CG1 3.45Å; G43-I47 PolarHBondContact O-N 3.22Å
44S98.9Very high98.5Very high4 Ų434.6 Ų34.63%0.02817%0.172CC..Hα-helixtrans-58.9-43.5176.5-62.60000113T40 K41 L42 I47 Q48 A82 G85 A86T40-S44 PolarHBondContact O-N 2.97Å; T40-S44 PolarHBondContact O-OG 2.85Å; K41-S44 WeakPolarHBondContact O-CB 3.43Å; K41-S44 PolarHBondContact O-N 3.04Å; L42-S44 PolarHBondContact O-N 2.92Å; S44-I47 PolarHBondContact O-N 3.39Å; S44-Q48 VanDerWaalsContact O-CB 3.3Å; S44-Q48 WeakPolarHBondContact O-CB 3.3Å; S44-Q48 PolarHBondContact O-N 2.85Å; S44-A82 WeakPolarHBondContact CA-O 3.45Å; S44-A82 WeakPolarHBondContact CB-O 3.45Å; S44-A82 WeakPolarHBondContact OG-CA 3.27Å; S44-A82 PolarHBondContact OG-O 3.17Å; S44-G85 VanDerWaalsContact OG-C 3.29Å; S44-G85 WeakPolarHBondContact OG-CA 3.35Å; S44-A86 WeakPolarHBondContact O-CB 3.47Å
45V98.8Very high98.5Very high23 Ų2339.7 Ų39.714%0.13920%0.199CC..Hα-helixtrans-61.5-46.3178174.10000110.7T25 K41 L42 G43 Q48 A49 A213 V215T25-V45 HydrophobicContact CG2-CB 4.37Å; T25-V45 HydrophobicContact CG2-CG1 4.32Å; K41-V45 WeakPolarHBondContact O-CG2 3.35Å; K41-V45 PolarHBondContact O-N 2.95Å; K41-V45 VanDerWaalsContact O-N 3.11Å; L42-V45 PolarHBondContact O-N 2.89Å; G43-V45 VanDerWaalsContact C-N 3.35Å; G43-V45 PolarHBondContact O-N 2.93Å; V45-Q48 PolarHBondContact O-N 2.84Å; V45-A49 WeakPolarHBondContact O-CB 3.29Å; V45-A49 PolarHBondContact O-N 3.42Å; V45-A213 HydrophobicContact CG1-CB 4.23Å; V45-V215 HydrophobicContact CG1-CG2 4.15Å
46A98.9Very high98.5Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-62.6-46.4178.900000111.9L42 G43 A49 A50 A267 A269L42-A46 PolarHBondContact O-N 3.15Å; L42-A46 VanDerWaalsContact O-N 3.08Å; G43-A46 PolarHBondContact O-N 3.01Å; A46-A49 PolarHBondContact O-N 2.92Å; A46-A50 WeakPolarHBondContact O-CB 3.44Å; A46-A50 PolarHBondContact O-N 2.95Å; A46-A267 HydrophobicContact CB-CB 4Å; A46-A269 HydrophobicContact CB-CB 3.91Å
47I98.9Very high98.5Very high0 Ų040.7 Ų40.70%019%0.192CC..Hα-helixtrans-61.3-48.9178.9-67.5169.9000110.7G43 S44 A49 A50 L51 V64 M66 A82 A86 L88 V124 A269G43-I47 VanDerWaalsContact O-CG1 3.3Å; G43-I47 WeakPolarHBondContact O-CG1 3.45Å; G43-I47 PolarHBondContact O-N 3.22Å; S44-I47 PolarHBondContact O-N 3.39Å; I47-A49 VanDerWaalsContact C-N 3.34Å; I47-A49 PolarHBondContact O-N 2.66Å; I47-A50 PolarHBondContact O-N 3.47Å; I47-L51 HydrophobicContact CG2-CD1 3.95Å; I47-L51 PolarHBondContact O-N 3.43Å; I47-V64 HydrophobicContact CD1-CG1 4.4Å; I47-M66 HydrophobicContact CD1-CE 4.49Å; I47-M66 HydrophobicContact CD1-CG 4.29Å; I47-M66 HydrophobicContact CD1-SD 4.24Å; I47-M66 HydrophobicContact CG1-SD 4.41Å; I47-A82 HydrophobicContact CD1-CB 4.09Å; I47-A86 HydrophobicContact CB-CB 3.76Å; I47-A86 HydrophobicContact CG2-CB 3.55Å; I47-L88 HydrophobicContact CG2-CD1 3.75Å; I47-V124 HydrophobicContact CB-CG1 4.5Å; I47-V124 HydrophobicContact CD1-CG1 4.5Å; I47-V124 HydrophobicContact CG1-CG1 3.93Å; I47-V124 HydrophobicContact CG2-CG1 4.11Å; I47-A269 HydrophobicContact CG1-CB 3.96Å
48Q98.7Very high98.5Very high92 Ų9241.5 Ų41.543%0.4320%0.199SC..Hα-helixtrans-60.1-44.6-179.3-172.9-175.642.700111.5S44 V45 R52 A86S44-Q48 VanDerWaalsContact O-CB 3.3Å; S44-Q48 WeakPolarHBondContact O-CB 3.3Å; S44-Q48 PolarHBondContact O-N 2.85Å; V45-Q48 PolarHBondContact O-N 2.84Å; Q48-R52 WeakPolarHBondContact O-CB 3.45Å; Q48-R52 PolarHBondContact O-N 2.93Å; Q48-A86 HydrophobicContact CB-CB 4.29Å
49A98.8Very high98.5Very high13 Ų1342.7 Ų42.711%0.10721%0.214CC..Hα-helixtrans-67.5-39.4178.800000112.4A23 V45 A46 I47 R52 R53 A213A23-A49 HydrophobicContact CB-CB 3.55Å; V45-A49 WeakPolarHBondContact O-CB 3.29Å; V45-A49 PolarHBondContact O-N 3.42Å; A46-A49 PolarHBondContact O-N 2.92Å; I47-A49 VanDerWaalsContact C-N 3.34Å; I47-A49 PolarHBondContact O-N 2.66Å; A49-R52 PolarHBondContact O-N 2.85Å; A49-R53 WeakPolarHBondContact O-CB 3.49Å; A49-R53 VanDerWaalsContact O-CG 3.29Å; A49-R53 WeakPolarHBondContact O-CG 3.2Å; A49-R53 PolarHBondContact O-N 3.28Å; A49-A213 HydrophobicContact CB-CB 3.4Å
50A98.8Very high98.5Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-65.2-43.7177.900000111.8A23 A46 I47 R53 A54 A269 V271A23-A50 HydrophobicContact CB-CB 4.06Å; A46-A50 WeakPolarHBondContact O-CB 3.44Å; A46-A50 PolarHBondContact O-N 2.95Å; I47-A50 PolarHBondContact O-N 3.47Å; A50-R53 PolarHBondContact O-N 2.89Å; A50-A54 WeakPolarHBondContact O-CB 3.46Å; A50-A54 PolarHBondContact O-N 3.02Å; A50-A269 HydrophobicContact CB-CB 4.05Å; A50-V271 HydrophobicContact CB-CG2 3.92Å
51L98.7Very high98.4Very high6 Ų645.6 Ų45.63%0.03123%0.228CC..Hα-helixtrans-64-44.1175.4-75.3171.1000112.3I47 R53 A54 N55 V56 V61 L88 V124 V271I47-L51 HydrophobicContact CG2-CD1 3.95Å; I47-L51 PolarHBondContact O-N 3.43Å; L51-R53 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 3.01Å; L51-A54 WeakPolarHBondContact O-CB 3.34Å; L51-A54 PolarHBondContact O-N 3.34Å; L51-N55 PolarHBondContact O-N 2.89Å; L51-N55 VanDerWaalsContact O-N 3.08Å; L51-V56 HydrophobicContact CD2-CB 4.09Å; L51-V56 HydrophobicContact CD2-CG1 3.95Å; L51-V56 PolarHBondContact O-N 3.4Å; L51-V61 HydrophobicContact CD1-CG2 4.26Å; L51-V61 HydrophobicContact CD2-CG2 3.71Å; L51-L88 HydrophobicContact CD1-CD1 3.61Å; L51-L88 HydrophobicContact CD1-CG 4.38Å; L51-V124 HydrophobicContact CD2-CG2 4.04Å; L51-V124 HydrophobicContact CG-CG2 4.36Å; L51-V271 HydrophobicContact CD2-CG1 4.17Å; L51-V271 HydrophobicContact CD2-CG2 3.84Å; L51-V271 HydrophobicContact CG-CG2 4.17Å
52R98.2Very high98.5Very high180 Ų18044.1 Ų44.168%0.67922%0.223SC*.Hα-helixtrans-59-45.6175.9-173.1-174.8-61164.72.9111.4Q48 A49 A54 N55Q48-R52 WeakPolarHBondContact O-CB 3.45Å; Q48-R52 PolarHBondContact O-N 2.93Å; A49-R52 PolarHBondContact O-N 2.85Å; R52-A54 VanDerWaalsContact C-N 3.32Å; R52-A54 PolarHBondContact O-N 3.21Å; R52-N55 PolarHBondContact O-N 3.22Å
53R97.7Very high98.5Very high98 Ų9845.3 Ų45.337%0.3723%0.229SC..Hα-helixtrans-67.8-30.7177.4-73.1171.8178.3166.3-0.4112.9V22 A23 A49 A50 L51 N55 W210 E211 I212V22-R53 WeakPolarHBondContact O-CD 3.14Å; V22-R53 PolarHBondContact O-NH1 3.49Å; V22-R53 VanDerWaalsContact O-NH1 3.09Å; A23-R53 VanDerWaalsContact CB-NH1 3.32Å; A49-R53 WeakPolarHBondContact O-CB 3.49Å; A49-R53 VanDerWaalsContact O-CG 3.29Å; A49-R53 WeakPolarHBondContact O-CG 3.2Å; A49-R53 PolarHBondContact O-N 3.28Å; A50-R53 PolarHBondContact O-N 2.89Å; L51-R53 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 3.01Å; R53-N55 VanDerWaalsContact C-N 3.26Å; R53-N55 PolarHBondContact O-N 3.43Å; R53-W210 PolarHBondContact NH1-O 3.2Å; R53-E211 VanDerWaalsContact NH1-C 3.33Å; R53-E211 PolarHBondContact NH1-O 3.04Å; R53-I212 PolarHBondContact NH2-O 2.84Å
54A97.7Very high98.5Very high6 Ų645.3 Ų45.35%0.0523%0.229CC..Hα-helixtrans-73.4-16.6174.100000113.5V20 A50 L51 R52 V56 V271V20-A54 HydrophobicContact CB-CB 4.44Å; V20-A54 HydrophobicContact CG2-CB 3.88Å; V20-A54 WeakPolarHBondContact O-CA 3.4Å; A50-A54 WeakPolarHBondContact O-CB 3.46Å; A50-A54 PolarHBondContact O-N 3.02Å; L51-A54 WeakPolarHBondContact O-CB 3.34Å; L51-A54 PolarHBondContact O-N 3.34Å; R52-A54 VanDerWaalsContact C-N 3.32Å; R52-A54 PolarHBondContact O-N 3.21Å; A54-V56 HydrophobicContact CB-CB 4.07Å; A54-V56 HydrophobicContact CB-CG2 3.71Å; A54-V56 PolarHBondContact O-N 3.12Å; A54-V271 HydrophobicContact CB-CB 4.18Å; A54-V271 HydrophobicContact CB-CG1 4.27Å; A54-V271 HydrophobicContact CB-CG2 4.14Å
55N97.4Very high98.5Very high106 Ų10645.9 Ų45.957%0.56723%0.23SC*.THydrogen-bonded Turntrans51.944.8-165.4-167.969.2000111.7L51 R52 R53L51-N55 PolarHBondContact O-N 2.89Å; L51-N55 VanDerWaalsContact O-N 3.08Å; R52-N55 PolarHBondContact O-N 3.22Å; R53-N55 VanDerWaalsContact C-N 3.26Å; R53-N55 PolarHBondContact O-N 3.43Å
56V98.2Very high98.5Very high6 Ų644.8 Ų44.84%0.03622%0.224CC..  trans-112.5122.5177.6171.90000108.8V20 L51 A54 L60 V122 V271 L283V20-V56 HydrophobicContact CG2-CG2 4.32Å; L51-V56 HydrophobicContact CD2-CB 4.09Å; L51-V56 HydrophobicContact CD2-CG1 3.95Å; L51-V56 PolarHBondContact O-N 3.4Å; A54-V56 HydrophobicContact CB-CB 4.07Å; A54-V56 HydrophobicContact CB-CG2 3.71Å; A54-V56 PolarHBondContact O-N 3.12Å; V56-L60 HydrophobicContact CG1-CB 4.24Å; V56-L60 HydrophobicContact CG1-CD1 4.43Å; V56-V122 HydrophobicContact CG1-CG1 3.91Å; V56-V271 HydrophobicContact CG2-CG1 4.38Å; V56-L283 HydrophobicContact CG2-CD1 3.7Å; V56-L283 HydrophobicContact CG2-CD2 3.98Å
57E97.7Very high98.5Very high126 Ų12644.8 Ų44.859%0.58922%0.224SC*.  trans-62.5134.9175.6-67.9-58.5146.800111A59 L60E57-A59 PolarHBondContact O-N 3.24Å; E57-A59 VanDerWaalsContact O-N 3.07Å; E57-L60 HydrophobicContact CB-CD1 4.24Å; E57-L60 HydrophobicContact CB-CG 4.22Å; E57-L60 WeakPolarHBondContact O-CB 3.22Å; E57-L60 PolarHBondContact O-N 2.94Å
58P98.3Very high98.5Very high41 Ų4144.8 Ų44.827%0.26622%0.224SC..G310 helixtrans-54-31.1178.2-27.534.6000113.8L60 V61 L88 P89P58-L60 PolarHBondContact O-N 3.29Å; P58-V61 PolarHBondContact O-N 3.46Å; P58-L88 HydrophobicContact CB-CD1 4.49Å; P58-L88 HydrophobicContact CB-CG 4.46Å; P58-P89 WeakPolarHBondContact O-CD 3.48Å
59A98Very high98.5Very high80 Ų8040.6 Ų40.666%0.66120%0.204SC*.G310 helixtrans-66.5-16.4177.900000114.6E57 P89E57-A59 PolarHBondContact O-N 3.24Å; E57-A59 VanDerWaalsContact O-N 3.07Å; A59-P89 HydrophobicContact CB-CG 4.43Å
60L98.4Very high98.5Very high69 Ų6940.2 Ų40.236%0.36120%0.201SC..G310 helixtrans-84.7-17.2176.7-65.2174.8000112.8V56 E57 P58 Q62 V122 L281V56-L60 HydrophobicContact CG1-CB 4.24Å; V56-L60 HydrophobicContact CG1-CD1 4.43Å; E57-L60 HydrophobicContact CB-CD1 4.24Å; E57-L60 HydrophobicContact CB-CG 4.22Å; E57-L60 WeakPolarHBondContact O-CB 3.22Å; E57-L60 PolarHBondContact O-N 2.94Å; P58-L60 PolarHBondContact O-N 3.29Å; L60-Q62 PolarHBondContact O-N 3.4Å; L60-V122 HydrophobicContact CB-CG2 4.48Å; L60-V122 WeakPolarHBondContact O-CB 3.38Å; L60-L281 HydrophobicContact CD1-CD1 3.89Å; L60-L281 HydrophobicContact CD1-CD2 4.47Å
61V98.8Very high98.5Very high6 Ų643 Ų434%0.03622%0.221CC..  trans-69.3129.3-178.8-177.30000109.7L51 P58 E63 V64 L88 V92 V122 V124L51-V61 HydrophobicContact CD1-CG2 4.26Å; L51-V61 HydrophobicContact CD2-CG2 3.71Å; P58-V61 PolarHBondContact O-N 3.46Å; V61-E63 WeakPolarHBondContact CG1-O 3.36Å; V61-V64 HydrophobicContact CG1-CG2 4.2Å; V61-L88 HydrophobicContact CB-CD2 4.04Å; V61-L88 HydrophobicContact CB-CG 4.49Å; V61-L88 HydrophobicContact CG1-CD2 3.78Å; V61-L88 HydrophobicContact CG2-CD2 4.26Å; V61-L88 HydrophobicContact CG2-CG 4.5Å; V61-V92 HydrophobicContact CG1-CG1 4.04Å; V61-V92 VanDerWaalsContact O-CG2 3.25Å; V61-V92 WeakPolarHBondContact O-CG2 3.36Å; V61-V122 HydrophobicContact CG2-CG1 4.23Å; V61-V124 HydrophobicContact CG1-CB 4.45Å; V61-V124 HydrophobicContact CG1-CG2 3.87Å; V61-V124 HydrophobicContact CG2-CG2 3.93Å
62Q98.8Very high98.5Very high71 Ų7144.1 Ų44.133%0.33223%0.23SC..  trans-105.2-21.9-176.1-63.7170.6-80.600113.1L60 P93 H120 V122L60-Q62 PolarHBondContact O-N 3.4Å; Q62-P93 WeakPolarHBondContact O-CD 3.48Å; Q62-P93 VanDerWaalsContact O-CG 3.29Å; Q62-P93 WeakPolarHBondContact O-CG 3.38Å; Q62-H120 HydrophobicContact CB-CB 4.25Å; Q62-V122 PolarHBondContact N-O 2.88Å; Q62-V122 VanDerWaalsContact OE1-N 3.07Å
63E98.9Very high98.5Very high25 Ų2542.3 Ų42.312%0.11723%0.234CC..EExtended strand (participates in β ladder)trans-158.1155.8177-169165-156.100111.4V61 F65 P93 H120 V123 V124V61-E63 WeakPolarHBondContact CG1-O 3.36Å; E63-F65 HydrophobicContact CB-CE2 4.43Å; E63-F65 HydrophobicContact CG-CD2 4.2Å; E63-F65 HydrophobicContact CG-CE2 3.6Å; E63-F65 HydrophobicContact CG-CZ 4Å; E63-F65 VanDerWaalsContact OE1-CZ 3.22Å; E63-F65 WeakPolarHBondContact OE1-CZ 3.45Å; E63-F65 WeakPolarHBondContact OE2-CE2 3.27Å; E63-P93 WeakPolarHBondContact CA-O 2.93Å; E63-P93 HydrophobicContact CB-CG 4.26Å; E63-P93 HydrophobicContact CG-CG 4.14Å; E63-H120 IonicContact OE2-CE1 3.49Å; E63-H120 PolarHBondContact OE2-CE1 3.25Å; E63-H120 IonicContact OE2-ND1 2.93Å; E63-H120 PolarHBondContact OE2-ND1 3.11Å; E63-V123 HydrophobicContact CB-CG1 4.16Å; E63-V123 WeakPolarHBondContact O-CA 3.44Å; E63-V123 WeakPolarHBondContact O-CG1 3.32Å; E63-V124 PolarHBondContact O-N 3.08Å
64V98.9Very high98.5Very high0 Ų038.9 Ų38.90%022%0.223CC..EExtended strand (participates in β ladder)trans-128.8129.1174.7-178.80000111.6I47 V61 M66 A83 L88 V92 P93 C94 T95 V124I47-V64 HydrophobicContact CD1-CG1 4.4Å; V61-V64 HydrophobicContact CG1-CG2 4.2Å; V64-M66 HydrophobicContact CG1-CG 3.79Å; V64-A83 HydrophobicContact CB-CB 4.47Å; V64-A83 HydrophobicContact CG1-CB 4.45Å; V64-A83 HydrophobicContact CG2-CB 4.02Å; V64-L88 HydrophobicContact CG2-CD2 3.51Å; V64-V92 HydrophobicContact CG2-CG1 3.92Å; V64-P93 PolarHBondContact N-O 3.28Å; V64-C94 HydrophobicContact CB-CB 4.33Å; V64-C94 CarbonylContact O-C 3.55Å; V64-C94 VanDerWaalsContact O-CA 3.3Å; V64-C94 WeakPolarHBondContact O-CA 3.27Å; V64-T95 PolarHBondContact O-N 3.11Å; V64-V124 CarbonylContact C-O 3.59Å; V64-V124 VanDerWaalsContact CA-O 3.29Å; V64-V124 WeakPolarHBondContact CA-O 3.49Å; V64-V124 HydrophobicContact CG2-CB 4.25Å
65F98.9Very high98.5Very high15 Ų1541.2 Ų41.27%0.06625%0.248CC..EExtended strand (participates in β ladder)trans-117.1118.8168.4-65.5-88.3000110.3E63 T95 V97 A107 L110 A111 T114 V123 V124 A125 G126E63-F65 HydrophobicContact CB-CE2 4.43Å; E63-F65 HydrophobicContact CG-CD2 4.2Å; E63-F65 HydrophobicContact CG-CE2 3.6Å; E63-F65 HydrophobicContact CG-CZ 4Å; E63-F65 VanDerWaalsContact OE1-CZ 3.22Å; E63-F65 WeakPolarHBondContact OE1-CZ 3.45Å; E63-F65 WeakPolarHBondContact OE2-CE2 3.27Å; F65-T95 WeakPolarHBondContact CA-O 3.49Å; F65-T95 HydrophobicContact CD1-CG2 4.17Å; F65-T95 HydrophobicContact CE1-CG2 4.23Å; F65-V97 HydrophobicContact CD1-CG2 4.25Å; F65-A107 HydrophobicContact CB-CB 3.83Å; F65-L110 HydrophobicContact CD1-CB 4Å; F65-L110 HydrophobicContact CD1-CD1 4.05Å; F65-L110 HydrophobicContact CE1-CB 4.09Å; F65-L110 HydrophobicContact CE1-CD1 4.3Å; F65-L110 HydrophobicContact CG-CB 4.25Å; F65-L110 HydrophobicContact CZ-CB 4.38Å; F65-A111 HydrophobicContact CD2-CB 3.9Å; F65-A111 HydrophobicContact CE2-CB 4.49Å; F65-T114 HydrophobicContact CE2-CG2 4.08Å; F65-T114 HydrophobicContact CZ-CG2 4.13Å; F65-V123 HydrophobicContact CD2-CG1 3.97Å; F65-V123 HydrophobicContact CE2-CG1 4.24Å; F65-V124 PolarHBondContact N-O 3.44Å; F65-A125 CarbonylContact O-C 3.53Å; F65-A125 WeakPolarHBondContact O-CA 3.34Å; F65-G126 PolarHBondContact O-N 2.95Å
66M98.9Very high98.6Very high0 Ų044.8 Ų44.80%026%0.261CS..EExtended strand (participates in β ladder)trans-125.5126.1176.7-67.7-63.8-71.700111.5I47 V64 A79 T95 T96 V97 G126 M128I47-M66 HydrophobicContact CD1-CE 4.49Å; I47-M66 HydrophobicContact CD1-CG 4.29Å; I47-M66 HydrophobicContact CD1-SD 4.24Å; I47-M66 HydrophobicContact CG1-SD 4.41Å; V64-M66 HydrophobicContact CG1-CG 3.79Å; M66-A79 HydrophobicContact CB-CB 3.81Å; M66-A79 HydrophobicContact CG-CB 4.34Å; M66-T95 PolarHBondContact N-O 3.28Å; M66-T96 WeakPolarHBondContact O-CA 3.38Å; M66-V97 PolarHBondContact O-N 3.01Å; M66-G126 WeakPolarHBondContact CA-O 3.36Å; M66-M128 HydrophobicContact CB-CE 4.37Å; M66-M128 HydrophobicContact CE-CB 4.35Å; M66-M128 HydrophobicContact CE-CG 4.44Å; M66-M128 HydrophobicContact CE-SD 4.37Å
67G98.9Very high98.6Very high0 Ų046.9 Ų46.90%028%0.279CS..EExtended strand (participates in β ladder)trans-67.9131.3170.600000112.1V97 G126 G127 M128G67-V97 CarbonylContact C-O 3.56Å; G67-V97 VanDerWaalsContact CA-O 3.26Å; G67-V97 WeakPolarHBondContact CA-O 3.46Å; G67-G126 PolarHBondContact N-O 3.5Å; G67-G127 CarbonylContact O-C 3.48Å; G67-G127 VanDerWaalsContact O-CA 3.24Å; G67-G127 WeakPolarHBondContact O-CA 3.4Å; G67-M128 PolarHBondContact O-N 2.93Å
68N98.9Very high98.6Very high1 Ų141.3 Ų41.31%0.00525%0.254CS..  trans-155.6130.5170.1179.3-113.8000109.5S71 L74 T96 V97 M128 E129N68-S71 WeakPolarHBondContact OD1-CA 3.41Å; N68-S71 WeakPolarHBondContact OD1-CB 3.35Å; N68-L74 VanDerWaalsContact OD1-CD1 3.22Å; N68-L74 WeakPolarHBondContact OD1-CD1 3.22Å; N68-T96 HydrophobicContact CB-CG2 3.83Å; N68-V97 PolarHBondContact N-O 3.42Å; N68-M128 HydrophobicContact CB-CE 4.45Å; N68-M128 HydrophobicContact CB-CG 4.41Å; N68-M128 PolarHBondContact ND2-O 2.82Å; N68-E129 PolarHBondContact ND2-OE1 3.41Å
69V98.9Very high98.6Very high3 Ų339.4 Ų39.42%0.01824%0.241CC..SBendtrans-99-54.7-177.5-173.80000110.3S71 V100 E129 D159 I364V69-S71 VanDerWaalsContact C-N 3.26Å; V69-S71 PolarHBondContact O-N 2.98Å; V69-V100 HydrophobicContact CG1-CG1 4.42Å; V69-V100 VanDerWaalsContact CG2-O 3.29Å; V69-V100 WeakPolarHBondContact CG2-O 3.33Å; V69-E129 VanDerWaalsContact CB-OE2 3.28Å; V69-E129 WeakPolarHBondContact CB-OE2 3.24Å; V69-E129 PolarHBondContact N-OE2 2.95Å; V69-D159 WeakPolarHBondContact CG1-O 3.3Å; V69-I364 HydrophobicContact CB-CD1 3.78Å; V69-I364 HydrophobicContact CB-CG1 3.98Å; V69-I364 HydrophobicContact CG1-CD1 3.81Å; V69-I364 HydrophobicContact CG2-CB 4.49Å; V69-I364 HydrophobicContact CG2-CD1 4.09Å; V69-I364 HydrophobicContact CG2-CG1 3.93Å
70L98.7Very high98.7Very high5 Ų538.7 Ų38.73%0.02622%0.222CC..  trans-85.270.8-174.1-55.6177.6000110.1E129 M131 A134 M156 D159 I364L70-E129 WeakPolarHBondContact CB-OE1 3.21Å; L70-E129 PolarHBondContact N-OE1 2.73Å; L70-E129 VanDerWaalsContact N-OE1 3.1Å; L70-M131 HydrophobicContact CD1-CB 4.26Å; L70-M131 HydrophobicContact CD1-CE 4.5Å; L70-M131 HydrophobicContact CD1-CG 3.94Å; L70-A134 HydrophobicContact CB-CB 4.46Å; L70-A134 HydrophobicContact CD1-CB 3.88Å; L70-M156 HydrophobicContact CD1-CB 4.01Å; L70-M156 HydrophobicContact CD1-CG 3.95Å; L70-D159 HydrophobicContact CD2-CB 4.04Å; L70-I364 HydrophobicContact CD1-CD1 4.36Å; L70-I364 HydrophobicContact CD2-CD1 4.4Å; L70-I364 HydrophobicContact CG-CD1 4.16Å
71S98.7Very high98.7Very high60 Ų6038.4 Ų38.442%0.4222%0.218SC..  trans-85.2-8.5-17255.30000114.7N68 V69 L74N68-S71 WeakPolarHBondContact OD1-CA 3.41Å; N68-S71 WeakPolarHBondContact OD1-CB 3.35Å; V69-S71 VanDerWaalsContact C-N 3.26Å; V69-S71 PolarHBondContact O-N 2.98Å; S71-L74 WeakPolarHBondContact O-CB 3.48Å; S71-L74 PolarHBondContact O-N 3.27Å
72A98.5Very high98.7Very high29 Ų2938.1 Ų38.124%0.2422%0.217CC..THydrogen-bonded Turntrans-62.1139.217700000111.3L74 P135 Y137A72-L74 PolarHBondContact O-N 2.93Å; A72-L74 VanDerWaalsContact O-N 3.15Å; A72-P135 HydrophobicContact CB-CG 3.99Å; A72-Y137 HydrophobicContact CB-CE1 3.53Å; A72-Y137 WeakPolarHBondContact CB-OH 3.41Å
73N98.2Very high98.7Very high142 Ų14234.9 Ų34.976%0.75920%0.202SC*.THydrogen-bonded Turntrans63.94.7-177-162.149.4000116G75 P135N73-G75 VanDerWaalsContact C-N 3.34Å; N73-P135 HydrophobicContact CB-CB 4.38Å; N73-P135 HydrophobicContact CB-CG 3.88Å
74L98.4Very high98.7Very high25 Ų2537.4 Ų37.413%0.13122%0.216CC..SBendtrans-79.4-17.5172.5-61.8-172.4000113.2A39 N68 S71 A72 P78 Q81A39-L74 HydrophobicContact CB-CD1 4.16Å; A39-L74 HydrophobicContact CB-CD2 4.43Å; N68-L74 VanDerWaalsContact OD1-CD1 3.22Å; N68-L74 WeakPolarHBondContact OD1-CD1 3.22Å; S71-L74 WeakPolarHBondContact O-CB 3.48Å; S71-L74 PolarHBondContact O-N 3.27Å; A72-L74 PolarHBondContact O-N 2.93Å; A72-L74 VanDerWaalsContact O-N 3.15Å; L74-P78 HydrophobicContact CB-CG 4Å; L74-P78 HydrophobicContact CD1-CB 4.09Å; L74-P78 HydrophobicContact CD1-CG 3.95Å; L74-Q81 PolarHBondContact O-NE2 2.97Å; L74-Q81 PolarHBondContact O-OE1 3.48Å
75G98.2Very high98.7Very high55 Ų5539.6 Ų39.657%0.56724%0.238SC*.  trans86.1-167.9-17300000113.3N73N73-G75 VanDerWaalsContact C-N 3.34Å
76Q98.4Very high98.7Very high181 Ų18139.2 Ų39.285%0.84624%0.238SC*.SBendtrans-69.9135.3-174-66.8-179.7-4.800111.9Q81Q76-Q81 PolarHBondContact O-NE2 3.03Å
77A98.3Very high98.6Very high51 Ų5141.7 Ų41.742%0.42126%0.264SS..  trans46.271.5170.300000114.9A79 R80 Q81A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.41Å; A77-A79 VanDerWaalsContact O-N 3.15Å; A77-R80 HydrophobicContact CB-CB 3.85Å; A77-R80 WeakPolarHBondContact O-CA 3.49Å; A77-R80 VanDerWaalsContact O-CB 3.29Å; A77-R80 WeakPolarHBondContact O-CB 3.34Å; A77-R80 PolarHBondContact O-N 3.43Å; A77-Q81 PolarHBondContact O-N 3.15Å
78P98.8Very high98.6Very high9 Ų942.1 Ų42.16%0.05827%0.266CS..Hα-helixtrans-49.5-43.3-177.9-30.536.5000114.8T40 L74 R80 Q81 A82 T96 M128T40-P78 HydrophobicContact CG2-CB 3.86Å; L74-P78 HydrophobicContact CB-CG 4Å; L74-P78 HydrophobicContact CD1-CB 4.09Å; L74-P78 HydrophobicContact CD1-CG 3.95Å; P78-R80 PolarHBondContact O-N 3.02Å; P78-Q81 WeakPolarHBondContact O-CB 3.21Å; P78-Q81 PolarHBondContact O-N 3.28Å; P78-Q81 VanDerWaalsContact O-N 3.13Å; P78-A82 PolarHBondContact O-N 2.83Å; P78-T96 HydrophobicContact CB-CG2 4.27Å; P78-T96 HydrophobicContact CG-CG2 4.38Å; P78-M128 VanDerWaalsContact C-CE 3.42Å; P78-M128 HydrophobicContact CB-CE 3.64Å; P78-M128 WeakPolarHBondContact O-CE 3.39Å
79A98.9Very high98.6Very high0 Ų043.9 Ų43.90%028%0.277CS..Hα-helixtrans-56.7-38.3176.500000112.9M66 A77 A82 A83 C94 T95 T96M66-A79 HydrophobicContact CB-CB 3.81Å; M66-A79 HydrophobicContact CG-CB 4.34Å; A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.41Å; A77-A79 VanDerWaalsContact O-N 3.15Å; A79-A82 PolarHBondContact O-N 3.25Å; A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 2.99Å; A79-C94 HydrophobicContact CB-CB 4.28Å; A79-T95 WeakPolarHBondContact CB-O 3.41Å; A79-T96 VanDerWaalsContact CB-OG1 3.27Å; A79-T96 WeakPolarHBondContact CB-OG1 3.11Å; A79-T96 PolarHBondContact N-OG1 2.92Å
80R98.8Very high98.6Very high66 Ų6649.4 Ų49.425%0.24931%0.307CS..Hα-helixtrans-69.1-41.2177.2-178.961180-156.8-8.6111.5A77 P78 A82 A83 L84 D90 V92 C94A77-R80 HydrophobicContact CB-CB 3.85Å; A77-R80 WeakPolarHBondContact O-CA 3.49Å; A77-R80 VanDerWaalsContact O-CB 3.29Å; A77-R80 WeakPolarHBondContact O-CB 3.34Å; A77-R80 PolarHBondContact O-N 3.43Å; P78-R80 PolarHBondContact O-N 3.02Å; R80-A82 VanDerWaalsContact C-N 3.31Å; R80-A82 PolarHBondContact O-N 3.41Å; R80-A83 PolarHBondContact O-N 3.5Å; R80-L84 HydrophobicContact CG-CD1 4.23Å; R80-L84 HydrophobicContact CG-CG 4.47Å; R80-L84 WeakPolarHBondContact O-CG 3.39Å; R80-L84 PolarHBondContact O-N 2.91Å; R80-D90 PolarHBondContact NH1-O 3.06Å; R80-D90 VanDerWaalsContact NH2-C 3.34Å; R80-D90 PolarHBondContact NH2-O 3.31Å; R80-V92 PolarHBondContact NH1-O 3.18Å; R80-C94 HydrophobicContact CB-CB 3.82Å; R80-C94 VanDerWaalsContact CD-SG 3.6Å
81Q98.9Very high98.5Very high63 Ų6354.5 Ų54.529%0.29434%0.338SS..Hα-helixtrans-60.4-43.3174.4-61.8178.741.900111.3T40 L74 Q76 A77 P78 G85T40-Q81 HydrophobicContact CG2-CB 3.8Å; T40-Q81 HydrophobicContact CG2-CG 4.45Å; L74-Q81 PolarHBondContact O-NE2 2.97Å; L74-Q81 PolarHBondContact O-OE1 3.48Å; Q76-Q81 PolarHBondContact O-NE2 3.03Å; A77-Q81 PolarHBondContact O-N 3.15Å; P78-Q81 WeakPolarHBondContact O-CB 3.21Å; P78-Q81 PolarHBondContact O-N 3.28Å; P78-Q81 VanDerWaalsContact O-N 3.13Å; Q81-G85 PolarHBondContact O-N 3.05Å
82A98.9Very high98.5Very high0 Ų051.9 Ų51.90%032%0.32CS..Hα-helixtrans-62.8-45.5176.900000112.1S44 I47 P78 A79 R80 G85 A86 M128S44-A82 WeakPolarHBondContact CA-O 3.45Å; S44-A82 WeakPolarHBondContact CB-O 3.45Å; S44-A82 WeakPolarHBondContact OG-CA 3.27Å; S44-A82 PolarHBondContact OG-O 3.17Å; I47-A82 HydrophobicContact CD1-CB 4.09Å; P78-A82 PolarHBondContact O-N 2.83Å; A79-A82 PolarHBondContact O-N 3.25Å; R80-A82 VanDerWaalsContact C-N 3.31Å; R80-A82 PolarHBondContact O-N 3.41Å; A82-G85 PolarHBondContact O-N 2.95Å; A82-A86 WeakPolarHBondContact O-CB 3.2Å; A82-A86 PolarHBondContact O-N 2.85Å; A82-M128 HydrophobicContact CB-CE 4.02Å; A82-M128 HydrophobicContact CB-SD 3.68Å
83A98.9Very high98.5Very high2 Ų253.5 Ų53.52%0.01733%0.328CS..Hα-helixtrans-61.2-50.7178.200000112.5V64 A79 R80 G85 A86 G87 L88 C94V64-A83 HydrophobicContact CB-CB 4.47Å; V64-A83 HydrophobicContact CG1-CB 4.45Å; V64-A83 HydrophobicContact CG2-CB 4.02Å; A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 2.99Å; R80-A83 PolarHBondContact O-N 3.5Å; A83-G85 PolarHBondContact O-N 2.89Å; A83-A86 WeakPolarHBondContact O-CB 3.47Å; A83-A86 PolarHBondContact O-N 2.84Å; A83-A86 VanDerWaalsContact O-N 3.13Å; A83-G87 PolarHBondContact O-N 2.83Å; A83-L88 HydrophobicContact CB-CB 4.48Å; A83-L88 HydrophobicContact CB-CD2 4.17Å; A83-L88 PolarHBondContact O-N 3.18Å; A83-C94 VanDerWaalsContact CB-SG 3.53Å
84L98.7Very high98.6Very high78 Ų7848 Ų4841%0.40830%0.3SS..Hα-helixtrans-63.1-42.1177.4-67.8179.4000111.5R80 A86 G87 D90R80-L84 HydrophobicContact CG-CD1 4.23Å; R80-L84 HydrophobicContact CG-CG 4.47Å; R80-L84 WeakPolarHBondContact O-CG 3.39Å; R80-L84 PolarHBondContact O-N 2.91Å; L84-A86 PolarHBondContact O-N 3.05Å; L84-G87 PolarHBondContact O-N 3.15Å; L84-D90 HydrophobicContact CD2-CB 4.16Å
85G98.5Very high98.6Very high46 Ų4649.6 Ų49.647%0.47431%0.311SS..Hα-helixtrans-66-18176.400000114.2S44 Q81 A82 A83S44-G85 VanDerWaalsContact OG-C 3.29Å; S44-G85 WeakPolarHBondContact OG-CA 3.35Å; Q81-G85 PolarHBondContact O-N 3.05Å; A82-G85 PolarHBondContact O-N 2.95Å; A83-G85 PolarHBondContact O-N 2.89Å
86A98.7Very high98.6Very high8 Ų849.2 Ų49.27%0.06630%0.298CS..THydrogen-bonded Turntrans-88.7-3.9172.200000113.5S44 I47 Q48 A82 A83 L84 L88S44-A86 WeakPolarHBondContact O-CB 3.47Å; I47-A86 HydrophobicContact CB-CB 3.76Å; I47-A86 HydrophobicContact CG2-CB 3.55Å; Q48-A86 HydrophobicContact CB-CB 4.29Å; A82-A86 WeakPolarHBondContact O-CB 3.2Å; A82-A86 PolarHBondContact O-N 2.85Å; A83-A86 WeakPolarHBondContact O-CB 3.47Å; A83-A86 PolarHBondContact O-N 2.84Å; A83-A86 VanDerWaalsContact O-N 3.13Å; L84-A86 PolarHBondContact O-N 3.05Å; A86-L88 HydrophobicContact CB-CD1 3.89Å
87G98.5Very high98.6Very high52 Ų5241.3 Ų41.354%0.53626%0.262SS..THydrogen-bonded Turntrans86.319.7179.800000114.9A83 L84A83-G87 PolarHBondContact O-N 2.83Å; L84-G87 PolarHBondContact O-N 3.15Å
88L98.7Very high98.7Very high8 Ų843.4 Ų43.44%0.04227%0.266CS..  trans-72.5148.8170.8-79.564.7000110.2I47 L51 P58 V61 V64 A83 A86 V92I47-L88 HydrophobicContact CG2-CD1 3.75Å; L51-L88 HydrophobicContact CD1-CD1 3.61Å; L51-L88 HydrophobicContact CD1-CG 4.38Å; P58-L88 HydrophobicContact CB-CD1 4.49Å; P58-L88 HydrophobicContact CB-CG 4.46Å; V61-L88 HydrophobicContact CB-CD2 4.04Å; V61-L88 HydrophobicContact CB-CG 4.49Å; V61-L88 HydrophobicContact CG1-CD2 3.78Å; V61-L88 HydrophobicContact CG2-CD2 4.26Å; V61-L88 HydrophobicContact CG2-CG 4.5Å; V64-L88 HydrophobicContact CG2-CD2 3.51Å; A83-L88 HydrophobicContact CB-CB 4.48Å; A83-L88 HydrophobicContact CB-CD2 4.17Å; A83-L88 PolarHBondContact O-N 3.18Å; A86-L88 HydrophobicContact CB-CD1 3.89Å; L88-V92 HydrophobicContact CB-CG2 4.43Å; L88-V92 HydrophobicContact CD2-CG1 4.4Å
89P98.3Very high98.7Very high39 Ų3945.1 Ų45.125%0.25327%0.272SS..  trans-56.7150.9174.9-22.631.5000112.8P58 A59 T91 V92P58-P89 WeakPolarHBondContact O-CD 3.48Å; A59-P89 HydrophobicContact CB-CG 4.43Å; P89-T91 WeakPolarHBondContact CB-OG1 3.28Å; P89-T91 PolarHBondContact O-N 2.92Å; P89-V92 HydrophobicContact CB-CG2 4.24Å; P89-V92 HydrophobicContact CG-CG2 4.35Å; P89-V92 WeakPolarHBondContact O-CG2 3.23Å; P89-V92 PolarHBondContact O-N 3Å
90D97.8Very high98.6Very high119 Ų11946.5 Ų46.564%0.63628%0.281SS*.THydrogen-bonded Turntrans-70.2-7.4174.363.1-0.7000113.5R80 L84 V92R80-D90 PolarHBondContact NH1-O 3.06Å; R80-D90 VanDerWaalsContact NH2-C 3.34Å; R80-D90 PolarHBondContact NH2-O 3.31Å; L84-D90 HydrophobicContact CD2-CB 4.16Å; D90-V92 VanDerWaalsContact C-N 3.31Å
91T98.1Very high98.6Very high112 Ų11243.8 Ų43.869%0.68727%0.272SS*.THydrogen-bonded Turntrans-77.5-13.1171.956.20000113.7P89 P93P89-T91 WeakPolarHBondContact CB-OG1 3.28Å; P89-T91 PolarHBondContact O-N 2.92Å; T91-P93 VanDerWaalsContact O-CD 3.24Å; T91-P93 WeakPolarHBondContact O-CD 3.44Å
92V98.7Very high98.6Very high4 Ų440.8 Ų40.82%0.02426%0.258CS..SBendtrans-80.7112.4-173.9-175.80000112V61 V64 R80 L88 P89 D90 C94V61-V92 HydrophobicContact CG1-CG1 4.04Å; V61-V92 VanDerWaalsContact O-CG2 3.25Å; V61-V92 WeakPolarHBondContact O-CG2 3.36Å; V64-V92 HydrophobicContact CG2-CG1 3.92Å; R80-V92 PolarHBondContact NH1-O 3.18Å; L88-V92 HydrophobicContact CB-CG2 4.43Å; L88-V92 HydrophobicContact CD2-CG1 4.4Å; P89-V92 HydrophobicContact CB-CG2 4.24Å; P89-V92 HydrophobicContact CG-CG2 4.35Å; P89-V92 WeakPolarHBondContact O-CG2 3.23Å; P89-V92 PolarHBondContact O-N 3Å; D90-V92 VanDerWaalsContact C-N 3.31Å; V92-C94 PolarHBondContact O-SG 3.24Å
93P98.6Very high98.6Very high63 Ų6340.8 Ų40.841%0.40926%0.258SS..  trans-59.7144173.724.6-35.2000112Q62 E63 V64 T91Q62-P93 WeakPolarHBondContact O-CD 3.48Å; Q62-P93 VanDerWaalsContact O-CG 3.29Å; Q62-P93 WeakPolarHBondContact O-CG 3.38Å; E63-P93 WeakPolarHBondContact CA-O 2.93Å; E63-P93 HydrophobicContact CB-CG 4.26Å; E63-P93 HydrophobicContact CG-CG 4.14Å; V64-P93 PolarHBondContact N-O 3.28Å; T91-P93 VanDerWaalsContact O-CD 3.24Å; T91-P93 WeakPolarHBondContact O-CD 3.44Å
94C98.9Very high98.6Very high27 Ų2740.7 Ų40.718%0.18226%0.257CS..EExtended strand (participates in β ladder)trans-138133.7-176.5-59.70000111.3V64 A79 R80 A83 V92V64-C94 HydrophobicContact CB-CB 4.33Å; V64-C94 CarbonylContact O-C 3.55Å; V64-C94 VanDerWaalsContact O-CA 3.3Å; V64-C94 WeakPolarHBondContact O-CA 3.27Å; A79-C94 HydrophobicContact CB-CB 4.28Å; R80-C94 HydrophobicContact CB-CB 3.82Å; R80-C94 VanDerWaalsContact CD-SG 3.6Å; A83-C94 VanDerWaalsContact CB-SG 3.53Å; V92-C94 PolarHBondContact O-SG 3.24Å
95T98.9Very high98.6Very high59 Ų5937 Ų3736%0.36224%0.238SC..EExtended strand (participates in β ladder)trans-122.9127.5178.8-59.90000110.7V64 F65 M66 A79 V97V64-T95 PolarHBondContact O-N 3.11Å; F65-T95 WeakPolarHBondContact CA-O 3.49Å; F65-T95 HydrophobicContact CD1-CG2 4.17Å; F65-T95 HydrophobicContact CE1-CG2 4.23Å; M66-T95 PolarHBondContact N-O 3.28Å; A79-T95 WeakPolarHBondContact CB-O 3.41Å; T95-V97 HydrophobicContact CG2-CG2 4.37Å
96T98.9Very high98.6Very high46 Ų4636.8 Ų36.828%0.28222%0.224SC..EExtended strand (participates in β ladder)trans-88.4127.9171-50.60000108.8M66 N68 P78 A79M66-T96 WeakPolarHBondContact O-CA 3.38Å; N68-T96 HydrophobicContact CB-CG2 3.83Å; P78-T96 HydrophobicContact CB-CG2 4.27Å; P78-T96 HydrophobicContact CG-CG2 4.38Å; A79-T96 VanDerWaalsContact CB-OG1 3.27Å; A79-T96 WeakPolarHBondContact CB-OG1 3.11Å; A79-T96 PolarHBondContact N-OG1 2.92Å
97V98.9Very high98.7Very high16 Ų1636.4 Ų36.410%0.09722%0.221CC..EExtended strand (participates in β ladder)trans-110.6130.9-175.1-178.70000109.3F65 M66 G67 N68 T95 S103 K106 A107 L110F65-V97 HydrophobicContact CD1-CG2 4.25Å; M66-V97 PolarHBondContact O-N 3.01Å; G67-V97 CarbonylContact C-O 3.56Å; G67-V97 VanDerWaalsContact CA-O 3.26Å; G67-V97 WeakPolarHBondContact CA-O 3.46Å; N68-V97 PolarHBondContact N-O 3.42Å; T95-V97 HydrophobicContact CG2-CG2 4.37Å; V97-S103 WeakPolarHBondContact O-CB 3.32Å; V97-K106 HydrophobicContact CG1-CB 4.25Å; V97-K106 HydrophobicContact CG1-CG 4.11Å; V97-A107 HydrophobicContact CB-CB 4.44Å; V97-A107 HydrophobicContact CG2-CB 4.22Å; V97-L110 HydrophobicContact CG1-CD1 4.34Å; V97-L110 HydrophobicContact CG2-CD1 3.76Å
98N98.8Very high98.7Very high94 Ų9433.9 Ų33.950%0.50320%0.195SC..  trans-121.5109.5169.9-173.1-3.3000110.2V100 S103N98-V100 PolarHBondContact OD1-N 2.88Å; N98-S103 WeakPolarHBondContact CA-OG 3.49Å
99K98.7Very high98.7Very high45 Ų4533.5 Ų33.520%0.19619%0.193CC..  trans-13042.6165.9-166.3177.5177.7-780108.9C101 S102 S103 K106 D294 N393 A398 S399K99-C101 PolarHBondContact O-N 3.5Å; K99-S102 PolarHBondContact O-N 3.05Å; K99-S103 PolarHBondContact N-OG 2.92Å; K99-K106 HydrophobicContact CB-CB 4.35Å; K99-K106 HydrophobicContact CD-CB 4.04Å; K99-K106 HydrophobicContact CD-CD 4.31Å; K99-K106 HydrophobicContact CD-CG 4Å; K99-D294 WeakPolarHBondContact CE-OD1 3.5Å; K99-D294 IonicContact NZ-OD1 3.8Å; K99-D294 PolarHBondContact NZ-OD1 3.24Å; K99-N393 PolarHBondContact NZ-OD1 3.44Å; K99-N393 VanDerWaalsContact O-CB 3.31Å; K99-N393 WeakPolarHBondContact O-CB 3.49Å; K99-A398 PolarHBondContact NZ-O 3.48Å; K99-A398 VanDerWaalsContact NZ-O 3.14Å; K99-S399 PolarHBondContact NZ-OG 3.04Å
100V98.4Very high98.7Very high29 Ų2933.9 Ų33.918%0.17619%0.193CC..G310 helixtrans45.4-127.1-172.7-162.90000110.4V69 N98 S102 S103 N393V69-V100 HydrophobicContact CG1-CG1 4.42Å; V69-V100 VanDerWaalsContact CG2-O 3.29Å; V69-V100 WeakPolarHBondContact CG2-O 3.33Å; N98-V100 PolarHBondContact OD1-N 2.88Å; V100-S102 PolarHBondContact O-N 3.22Å; V100-S102 VanDerWaalsContact O-N 3.08Å; V100-S103 PolarHBondContact N-OG 3.3Å; V100-S103 VanDerWaalsContact O-CB 3.3Å; V100-S103 WeakPolarHBondContact O-CB 3.26Å; V100-S103 PolarHBondContact O-N 2.85Å; V100-S103 PolarHBondContact O-OG 3.02Å; V100-N393 HydrophobicContact CB-CB 4.14Å
101C98.4Very high98.8Very high10 Ų1028.2 Ų28.27%0.06816%0.162CC..G310 helixtrans-61.9-21.2-176.6-54.30000114.4K99 H362 I364 V391 C392 N393K99-C101 PolarHBondContact O-N 3.5Å; C101-H362 PolarHBondContact SG-NE2 2.82Å; C101-I364 CarbonylContact C-O 3.54Å; C101-I364 VanDerWaalsContact CA-O 3.31Å; C101-I364 WeakPolarHBondContact CA-O 3.33Å; C101-V391 HydrophobicContact CB-CG2 4.15Å; C101-V391 WeakPolarHBondContact O-CG2 3.46Å; C101-C392 WeakPolarHBondContact CB-O 3.38Å; C101-N393 HydrophobicContact CB-CB 4.22Å
102S98.7Very high98.8Very high0 Ų022.9 Ų22.90%013%0.13CC..G310 helixtrans-86.8-1.8177.2-57.70000113.6K99 V100 G104 M105 K106 V391 N393 S399K99-S102 PolarHBondContact O-N 3.05Å; V100-S102 PolarHBondContact O-N 3.22Å; V100-S102 VanDerWaalsContact O-N 3.08Å; S102-G104 PolarHBondContact O-N 3.14Å; S102-M105 PolarHBondContact O-N 3.41Å; S102-M105 VanDerWaalsContact O-N 3.09Å; S102-K106 WeakPolarHBondContact O-CB 3.32Å; S102-K106 PolarHBondContact O-N 2.92Å; S102-V391 PolarHBondContact OG-O 3.07Å; S102-V391 VanDerWaalsContact OG-O 3.09Å; S102-N393 WeakPolarHBondContact OG-CB 3.5Å; S102-N393 PolarHBondContact OG-OD1 3.08Å; S102-N393 VanDerWaalsContact OG-OD1 3.07Å; S102-S399 WeakPolarHBondContact CB-OG 3.21Å
103S98.9Very high98.8Very high0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-51.5-51.2-172.5-60.70000113V97 N98 K99 V100 M105 K106 A107V97-S103 WeakPolarHBondContact O-CB 3.32Å; N98-S103 WeakPolarHBondContact CA-OG 3.49Å; K99-S103 PolarHBondContact N-OG 2.92Å; V100-S103 PolarHBondContact N-OG 3.3Å; V100-S103 VanDerWaalsContact O-CB 3.3Å; V100-S103 WeakPolarHBondContact O-CB 3.26Å; V100-S103 PolarHBondContact O-N 2.85Å; V100-S103 PolarHBondContact O-OG 3.02Å; S103-M105 VanDerWaalsContact C-N 3.33Å; S103-M105 PolarHBondContact O-N 3.23Å; S103-K106 PolarHBondContact O-N 3.42Å; S103-A107 WeakPolarHBondContact O-CB 3.31Å; S103-A107 PolarHBondContact O-N 2.85Å
104G98.9Very high98.8Very high0 Ų023.5 Ų23.50%013%0.128CC..Hα-helixtrans-64.3-36-178.900000113.7S102 V108 G126 G365S102-G104 PolarHBondContact O-N 3.14Å; G104-V108 WeakPolarHBondContact O-CG2 3.33Å; G104-V108 PolarHBondContact O-N 2.87Å; G104-G126 VanDerWaalsContact CA-O 3.29Å; G104-G126 WeakPolarHBondContact CA-O 3.42Å; G104-G365 WeakPolarHBondContact CA-O 3.43Å; G104-G365 PolarHBondContact N-O 3.34Å
105M98.9Very high98.8Very high0 Ų022.2 Ų22.20%012%0.119CC..Hα-helixtrans-72.7-40.5175.3-177.1176.3-71.100111.4S102 S103 A107 V108 M109 I371 I372 A389 V391 L401S102-M105 PolarHBondContact O-N 3.41Å; S102-M105 VanDerWaalsContact O-N 3.09Å; S103-M105 VanDerWaalsContact C-N 3.33Å; S103-M105 PolarHBondContact O-N 3.23Å; M105-A107 VanDerWaalsContact C-N 3.28Å; M105-A107 PolarHBondContact O-N 2.88Å; M105-V108 WeakPolarHBondContact O-CB 3.21Å; M105-V108 PolarHBondContact O-N 3.48Å; M105-V108 VanDerWaalsContact O-N 3.12Å; M105-M109 HydrophobicContact CG-CE 3.82Å; M105-M109 WeakPolarHBondContact O-CG 2.82Å; M105-M109 PolarHBondContact O-N 2.86Å; M105-M109 HydrophobicContact SD-CE 3.91Å; M105-I371 HydrophobicContact CE-CD1 3.65Å; M105-I371 HydrophobicContact CE-CG1 4.04Å; M105-I372 HydrophobicContact CE-CD1 4.17Å; M105-I372 HydrophobicContact CE-CG1 4.06Å; M105-I372 HydrophobicContact CG-CD1 4.12Å; M105-A389 HydrophobicContact CE-CB 3.65Å; M105-V391 HydrophobicContact CB-CG1 4.08Å; M105-V391 HydrophobicContact CE-CG1 3.89Å; M105-V391 HydrophobicContact SD-CG1 3.91Å; M105-L401 HydrophobicContact CE-CB 4.46Å; M105-L401 HydrophobicContact CG-CB 4.4Å; M105-L401 HydrophobicContact SD-CB 4.14Å
106K98.9Very high98.8Very high41 Ų4123.2 Ų23.218%0.17812%0.12CC..Hα-helixtrans-63.7-37.1177.5-175.658.5178.4179.20111.4V97 K99 S102 S103 V108 M109 L110 D294V97-K106 HydrophobicContact CG1-CB 4.25Å; V97-K106 HydrophobicContact CG1-CG 4.11Å; K99-K106 HydrophobicContact CB-CB 4.35Å; K99-K106 HydrophobicContact CD-CB 4.04Å; K99-K106 HydrophobicContact CD-CD 4.31Å; K99-K106 HydrophobicContact CD-CG 4Å; S102-K106 WeakPolarHBondContact O-CB 3.32Å; S102-K106 PolarHBondContact O-N 2.92Å; S103-K106 PolarHBondContact O-N 3.42Å; K106-V108 VanDerWaalsContact C-N 3.32Å; K106-V108 PolarHBondContact O-N 3.34Å; K106-M109 HydrophobicContact CD-CB 4.42Å; K106-M109 HydrophobicContact CD-SD 4.25Å; K106-M109 WeakPolarHBondContact O-CB 3.45Å; K106-M109 PolarHBondContact O-N 3.31Å; K106-L110 WeakPolarHBondContact O-CG 3.43Å; K106-L110 PolarHBondContact O-N 2.92Å; K106-D294 IonicContact NZ-OD2 2.92Å; K106-D294 PolarHBondContact NZ-OD2 2.84Å
107A98.9Very high98.8Very high0 Ų027.3 Ų27.30%014%0.139CC..Hα-helixtrans-58.1-43171.900000112.2F65 V97 S103 M105 M109 L110 A111 G126F65-A107 HydrophobicContact CB-CB 3.83Å; V97-A107 HydrophobicContact CB-CB 4.44Å; V97-A107 HydrophobicContact CG2-CB 4.22Å; S103-A107 WeakPolarHBondContact O-CB 3.31Å; S103-A107 PolarHBondContact O-N 2.85Å; M105-A107 VanDerWaalsContact C-N 3.28Å; M105-A107 PolarHBondContact O-N 2.88Å; A107-M109 VanDerWaalsContact C-N 3.35Å; A107-M109 PolarHBondContact O-N 3.48Å; A107-L110 PolarHBondContact O-N 3.05Å; A107-A111 WeakPolarHBondContact O-CB 3.5Å; A107-A111 PolarHBondContact O-N 2.73Å; A107-G126 WeakPolarHBondContact CB-O 3.38Å
108V98.9Very high98.7Very high0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-63.1-40174.2176.80000111.5G104 M105 K106 A111 A112 A125 I270 L272 I289 I372 L401G104-V108 WeakPolarHBondContact O-CG2 3.33Å; G104-V108 PolarHBondContact O-N 2.87Å; M105-V108 WeakPolarHBondContact O-CB 3.21Å; M105-V108 PolarHBondContact O-N 3.48Å; M105-V108 VanDerWaalsContact O-N 3.12Å; K106-V108 VanDerWaalsContact C-N 3.32Å; K106-V108 PolarHBondContact O-N 3.34Å; V108-A111 PolarHBondContact O-N 3.45Å; V108-A112 WeakPolarHBondContact O-CB 3.29Å; V108-A112 PolarHBondContact O-N 3.03Å; V108-A125 HydrophobicContact CB-CB 4.31Å; V108-A125 HydrophobicContact CG2-CB 3.88Å; V108-I270 HydrophobicContact CG2-CD1 3.97Å; V108-L272 HydrophobicContact CG1-CD1 4.23Å; V108-I289 HydrophobicContact CG1-CD1 3.82Å; V108-I372 HydrophobicContact CB-CD1 4.36Å; V108-I372 HydrophobicContact CG1-CD1 4.29Å; V108-I372 HydrophobicContact CG2-CD1 4.24Å; V108-L401 HydrophobicContact CB-CD1 4.45Å; V108-L401 HydrophobicContact CG1-CD1 3.73Å
109M98.9Very high98.7Very high0 Ų029.2 Ų29.20%015%0.154CC..Hα-helixtrans-64-44.2175.5-63.1-179.1-174.800112.3M105 K106 A107 A112 Q113 Y292 A400 L401M105-M109 HydrophobicContact CG-CE 3.82Å; M105-M109 WeakPolarHBondContact O-CG 2.82Å; M105-M109 PolarHBondContact O-N 2.86Å; M105-M109 HydrophobicContact SD-CE 3.91Å; K106-M109 HydrophobicContact CD-CB 4.42Å; K106-M109 HydrophobicContact CD-SD 4.25Å; K106-M109 WeakPolarHBondContact O-CB 3.45Å; K106-M109 PolarHBondContact O-N 3.31Å; A107-M109 VanDerWaalsContact C-N 3.35Å; A107-M109 PolarHBondContact O-N 3.48Å; M109-A112 WeakPolarHBondContact O-CB 3.26Å; M109-A112 PolarHBondContact O-N 3.09Å; M109-Q113 VanDerWaalsContact O-CG 3.27Å; M109-Q113 WeakPolarHBondContact O-CG 3.4Å; M109-Q113 PolarHBondContact O-N 3.1Å; M109-Y292 HydrophobicContact CB-CD2 4.19Å; M109-Y292 HydrophobicContact CB-CG 4.39Å; M109-Y292 HydrophobicContact CG-CD2 3.99Å; M109-Y292 HydrophobicContact CG-CG 3.91Å; M109-Y292 HydrophobicContact SD-CD2 4.03Å; M109-Y292 HydrophobicContact SD-CG 4.29Å; M109-A400 WeakPolarHBondContact CE-O 3.11Å; M109-L401 HydrophobicContact CE-CB 4.49Å; M109-L401 HydrophobicContact CG-CD1 4.43Å
110L98.9Very high98.7Very high47 Ų4728.7 Ų28.725%0.24615%0.152CC..Hα-helixtrans-61.3-45.2177.6-68.9171000111F65 V97 K106 A107 A112 Q113 T114F65-L110 HydrophobicContact CD1-CB 4Å; F65-L110 HydrophobicContact CD1-CD1 4.05Å; F65-L110 HydrophobicContact CE1-CB 4.09Å; F65-L110 HydrophobicContact CE1-CD1 4.3Å; F65-L110 HydrophobicContact CG-CB 4.25Å; F65-L110 HydrophobicContact CZ-CB 4.38Å; V97-L110 HydrophobicContact CG1-CD1 4.34Å; V97-L110 HydrophobicContact CG2-CD1 3.76Å; K106-L110 WeakPolarHBondContact O-CG 3.43Å; K106-L110 PolarHBondContact O-N 2.92Å; A107-L110 PolarHBondContact O-N 3.05Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 2.9Å; L110-Q113 WeakPolarHBondContact O-CB 3.16Å; L110-Q113 PolarHBondContact O-N 3.17Å; L110-Q113 VanDerWaalsContact O-N 3.14Å; L110-T114 WeakPolarHBondContact O-CG2 3.17Å; L110-T114 PolarHBondContact O-N 3.05Å
111A98.9Very high98.7Very high0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-63.2-37.6175.400000113.1F65 A107 V108 Q113 T114 I115 V123 A125 L272F65-A111 HydrophobicContact CD2-CB 3.9Å; F65-A111 HydrophobicContact CE2-CB 4.49Å; A107-A111 WeakPolarHBondContact O-CB 3.5Å; A107-A111 PolarHBondContact O-N 2.73Å; V108-A111 PolarHBondContact O-N 3.45Å; A111-Q113 VanDerWaalsContact C-N 3.33Å; A111-T114 PolarHBondContact O-N 2.76Å; A111-T114 PolarHBondContact O-OG1 3.29Å; A111-I115 PolarHBondContact O-N 2.85Å; A111-V123 HydrophobicContact CB-CB 4.11Å; A111-V123 HydrophobicContact CB-CG1 3.43Å; A111-V123 VanDerWaalsContact CB-CG1 3.43Å; A111-A125 HydrophobicContact CB-CB 3.62Å; A111-L272 HydrophobicContact CB-CD1 3.65Å
112A98.9Very high98.7Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-63.2-41.3172.800000111.3V17 V108 M109 L110 I115 Q116 L272 I289 Y292V17-A112 HydrophobicContact CB-CB 4.44Å; V17-A112 HydrophobicContact CG1-CB 3.94Å; V17-A112 HydrophobicContact CG2-CB 4.1Å; V108-A112 WeakPolarHBondContact O-CB 3.29Å; V108-A112 PolarHBondContact O-N 3.03Å; M109-A112 WeakPolarHBondContact O-CB 3.26Å; M109-A112 PolarHBondContact O-N 3.09Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 2.9Å; A112-I115 PolarHBondContact O-N 3.21Å; A112-Q116 WeakPolarHBondContact O-CB 3.42Å; A112-Q116 VanDerWaalsContact O-CG 3.26Å; A112-Q116 WeakPolarHBondContact O-CG 3.32Å; A112-Q116 PolarHBondContact O-N 2.93Å; A112-L272 HydrophobicContact CB-CD1 4.47Å; A112-I289 HydrophobicContact CB-CD1 4.14Å; A112-Y292 HydrophobicContact CB-CE1 4.05Å
113Q98.8Very high98.7Very high65 Ų6528.5 Ų28.530%0.30415%0.15SC..Hα-helixtrans-63-43.4177.7-72.7170.7-3300112.1M109 L110 A111 I115 Q116 L117 Y292M109-Q113 VanDerWaalsContact O-CG 3.27Å; M109-Q113 WeakPolarHBondContact O-CG 3.4Å; M109-Q113 PolarHBondContact O-N 3.1Å; L110-Q113 WeakPolarHBondContact O-CB 3.16Å; L110-Q113 PolarHBondContact O-N 3.17Å; L110-Q113 VanDerWaalsContact O-N 3.14Å; A111-Q113 VanDerWaalsContact C-N 3.33Å; Q113-I115 VanDerWaalsContact C-N 3.26Å; Q113-I115 PolarHBondContact O-N 3.41Å; Q113-Q116 PolarHBondContact O-N 2.94Å; Q113-L117 WeakPolarHBondContact O-CB 3.36Å; Q113-L117 WeakPolarHBondContact O-CG 3.3Å; Q113-L117 PolarHBondContact O-N 3.48Å; Q113-Y292 HydrophobicContact CG-CE2 4.18Å; Q113-Y292 WeakPolarHBondContact CG-OH 3.37Å
114T98.7Very high98.7Very high14 Ų1428.5 Ų28.59%0.08615%0.15CC..Hα-helixtrans-62.9-34.717859.40000112.2F65 L110 A111 G118 M119 H120F65-T114 HydrophobicContact CE2-CG2 4.08Å; F65-T114 HydrophobicContact CZ-CG2 4.13Å; L110-T114 WeakPolarHBondContact O-CG2 3.17Å; L110-T114 PolarHBondContact O-N 3.05Å; A111-T114 PolarHBondContact O-N 2.76Å; A111-T114 PolarHBondContact O-OG1 3.29Å; T114-G118 PolarHBondContact O-N 3.32Å; T114-M119 WeakPolarHBondContact O-CB 3.4Å; T114-M119 PolarHBondContact O-N 2.97Å; T114-H120 PolarHBondContact O-N 3.34Å
115I98.8Very high98.7Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-69.9-46.9173.8-68.7168.6000111.3R15 V17 A111 A112 Q113 L117 G118 H120 V123 L272R15-I115 WeakPolarHBondContact CD-O 3.48Å; V17-I115 HydrophobicContact CG1-CD1 4.16Å; V17-I115 HydrophobicContact CG2-CB 4.17Å; V17-I115 HydrophobicContact CG2-CG2 3.96Å; A111-I115 PolarHBondContact O-N 2.85Å; A112-I115 PolarHBondContact O-N 3.21Å; Q113-I115 VanDerWaalsContact C-N 3.26Å; Q113-I115 PolarHBondContact O-N 3.41Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 2.82Å; I115-G118 PolarHBondContact O-N 2.84Å; I115-H120 WeakPolarHBondContact CA-O 3.47Å; I115-V123 HydrophobicContact CD1-CB 4.4Å; I115-V123 HydrophobicContact CD1-CG2 4.16Å; I115-V123 HydrophobicContact CG1-CG2 3.99Å; I115-L272 HydrophobicContact CD1-CB 3.62Å
116Q98.5Very high98.7Very high81 Ų8128.5 Ų28.538%0.37915%0.15SC..Hα-helixtrans-63-37.2-179.3-74170.9-32.100112.5V17 A112 Q113 G118 Y292V17-Q116 HydrophobicContact CG2-CG 3.58Å; A112-Q116 WeakPolarHBondContact O-CB 3.42Å; A112-Q116 VanDerWaalsContact O-CG 3.26Å; A112-Q116 WeakPolarHBondContact O-CG 3.32Å; A112-Q116 PolarHBondContact O-N 2.93Å; Q113-Q116 PolarHBondContact O-N 2.94Å; Q116-G118 PolarHBondContact O-N 2.81Å; Q116-Y292 PolarHBondContact OE1-OH 3.01Å
117L98.4Very high98.7Very high131 Ų13126.6 Ų26.669%0.68614%0.141SC*.THydrogen-bonded Turntrans-75-4.9175.3-67171.4000113.1Q113 I115 M119Q113-L117 WeakPolarHBondContact O-CB 3.36Å; Q113-L117 WeakPolarHBondContact O-CG 3.3Å; Q113-L117 PolarHBondContact O-N 3.48Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 2.82Å; L117-M119 VanDerWaalsContact C-N 3.31Å; L117-M119 HydrophobicContact CB-CG 4.14Å; L117-M119 HydrophobicContact CB-SD 4.34Å; L117-M119 HydrophobicContact CD1-SD 4.35Å; L117-M119 PolarHBondContact O-N 2.79Å
118G98.1Very high98.7Very high33 Ų3326.6 Ų26.634%0.3414%0.141SC..THydrogen-bonded Turntrans74.217.7178.800000114.7T114 I115 Q116T114-G118 PolarHBondContact O-N 3.32Å; I115-G118 PolarHBondContact O-N 2.84Å; Q116-G118 PolarHBondContact O-N 2.81Å
119M98.3Very high98.7Very high118 Ų11826.6 Ų26.658%0.58114%0.141SC*.SBendtrans-77.7-39177.9-59.6175.768.200111.5T114 L117T114-M119 WeakPolarHBondContact O-CB 3.4Å; T114-M119 PolarHBondContact O-N 2.97Å; L117-M119 VanDerWaalsContact C-N 3.31Å; L117-M119 HydrophobicContact CB-CG 4.14Å; L117-M119 HydrophobicContact CB-SD 4.34Å; L117-M119 HydrophobicContact CD1-SD 4.35Å; L117-M119 PolarHBondContact O-N 2.79Å
120H98.5Very high98.7Very high34 Ų3426.8 Ų26.816%0.15714%0.143CC..  trans-135.6158.4-177.3-59.5123.8000111.4Q62 E63 T114 I115 V123Q62-H120 HydrophobicContact CB-CB 4.25Å; E63-H120 IonicContact OE2-CE1 3.49Å; E63-H120 PolarHBondContact OE2-CE1 3.25Å; E63-H120 IonicContact OE2-ND1 2.93Å; E63-H120 PolarHBondContact OE2-ND1 3.11Å; T114-H120 PolarHBondContact O-N 3.34Å; I115-H120 WeakPolarHBondContact CA-O 3.47Å; H120-V123 HydrophobicContact CB-CG2 3.57Å
121D98.6Very high98.7Very high33 Ų3324.8 Ų24.818%0.17613%0.132CC..SBendtrans-115.7-27.7176.5-75.2-45.4000112.8R15 V273 S274 K277R15-D121 IonicContact CZ-OD1 3.31Å; R15-D121 IonicContact NH1-OD1 3.73Å; R15-D121 PolarHBondContact NH1-OD1 2.8Å; D121-V273 CarbonylContact O-C 3.6Å; D121-V273 WeakPolarHBondContact O-CA 3.48Å; D121-S274 PolarHBondContact O-N 3.3Å; D121-S274 WeakPolarHBondContact OD1-CB 3.42Å; D121-S274 PolarHBondContact OD1-OG 2.9Å; D121-K277 HydrophobicContact CB-CB 3.88Å; D121-K277 HydrophobicContact CB-CD 4.47Å; D121-K277 HydrophobicContact CB-CG 4.01Å; D121-K277 WeakPolarHBondContact OD2-CE 3.37Å
122V98.8Very high98.7Very high2 Ų225.6 Ų25.61%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-133114.8178.5-176.60000109.2V56 L60 V61 Q62 L272 V273 K277V56-V122 HydrophobicContact CG1-CG1 3.91Å; L60-V122 HydrophobicContact CB-CG2 4.48Å; L60-V122 WeakPolarHBondContact O-CB 3.38Å; V61-V122 HydrophobicContact CG2-CG1 4.23Å; Q62-V122 PolarHBondContact N-O 2.88Å; Q62-V122 VanDerWaalsContact OE1-N 3.07Å; V122-L272 WeakPolarHBondContact CA-O 3.23Å; V122-V273 HydrophobicContact CG1-CG2 4.24Å; V122-V273 HydrophobicContact CG2-CG1 4.31Å; V122-V273 HydrophobicContact CG2-CG2 4.21Å; V122-K277 HydrophobicContact CG2-CG 3.91Å
123V98.9Very high98.7Very high0 Ų028.9 Ų28.90%016%0.155CC..EExtended strand (participates in β ladder)trans-133.7136.8-176-172.80000109.2E63 F65 A111 I115 H120 L272E63-V123 HydrophobicContact CB-CG1 4.16Å; E63-V123 WeakPolarHBondContact O-CA 3.44Å; E63-V123 WeakPolarHBondContact O-CG1 3.32Å; F65-V123 HydrophobicContact CD2-CG1 3.97Å; F65-V123 HydrophobicContact CE2-CG1 4.24Å; A111-V123 HydrophobicContact CB-CB 4.11Å; A111-V123 HydrophobicContact CB-CG1 3.43Å; A111-V123 VanDerWaalsContact CB-CG1 3.43Å; I115-V123 HydrophobicContact CD1-CB 4.4Å; I115-V123 HydrophobicContact CD1-CG2 4.16Å; I115-V123 HydrophobicContact CG1-CG2 3.99Å; H120-V123 HydrophobicContact CB-CG2 3.57Å; V123-L272 PolarHBondContact N-O 3.1Å; V123-L272 PolarHBondContact O-N 3.49Å
124V98.9Very high98.7Very high0 Ų026.9 Ų26.90%015%0.15CC..EExtended strand (participates in β ladder)trans-98.6132.1171.6177.40000109.1I47 L51 V61 E63 V64 F65 A269 V271I47-V124 HydrophobicContact CB-CG1 4.5Å; I47-V124 HydrophobicContact CD1-CG1 4.5Å; I47-V124 HydrophobicContact CG1-CG1 3.93Å; I47-V124 HydrophobicContact CG2-CG1 4.11Å; L51-V124 HydrophobicContact CD2-CG2 4.04Å; L51-V124 HydrophobicContact CG-CG2 4.36Å; V61-V124 HydrophobicContact CG1-CB 4.45Å; V61-V124 HydrophobicContact CG1-CG2 3.87Å; V61-V124 HydrophobicContact CG2-CG2 3.93Å; E63-V124 PolarHBondContact O-N 3.08Å; V64-V124 CarbonylContact C-O 3.59Å; V64-V124 VanDerWaalsContact CA-O 3.29Å; V64-V124 WeakPolarHBondContact CA-O 3.49Å; V64-V124 HydrophobicContact CG2-CB 4.25Å; F65-V124 PolarHBondContact N-O 3.44Å; V124-A269 HydrophobicContact CG1-CB 4.5Å; V124-V271 HydrophobicContact CG2-CG2 4.42Å
125A99Very high98.7Very high0 Ų027.8 Ų27.80%016%0.156CC..EExtended strand (participates in β ladder)trans-135.5156.1177.700000112.3F65 V108 A111 A269 I270F65-A125 CarbonylContact O-C 3.53Å; F65-A125 WeakPolarHBondContact O-CA 3.34Å; V108-A125 HydrophobicContact CB-CB 4.31Å; V108-A125 HydrophobicContact CG2-CB 3.88Å; A111-A125 HydrophobicContact CB-CB 3.62Å; A125-A269 CarbonylContact O-C 3.54Å; A125-A269 WeakPolarHBondContact O-CA 3.48Å; A125-I270 PolarHBondContact N-O 3.49Å; A125-I270 PolarHBondContact O-N 2.95Å
126G98.9Very high98.7Very high0 Ų033.6 Ų33.60%018%0.181CC..EExtended strand (participates in β ladder)trans165-151.5178.300000112.6F65 M66 G67 G104 A107 A268F65-G126 PolarHBondContact O-N 2.95Å; M66-G126 WeakPolarHBondContact CA-O 3.36Å; G67-G126 PolarHBondContact N-O 3.5Å; G104-G126 VanDerWaalsContact CA-O 3.29Å; G104-G126 WeakPolarHBondContact CA-O 3.42Å; A107-G126 WeakPolarHBondContact CB-O 3.38Å; G126-A268 CarbonylContact C-O 3.46Å; G126-A268 VanDerWaalsContact CA-O 3.23Å; G126-A268 WeakPolarHBondContact CA-O 3.23Å
127G98.9Very high98.6Very high0 Ų032 Ų320%017%0.172CC..EExtended strand (participates in β ladder)trans-159.1163.1174.400000112.9G67 A267 A268 G365G67-G127 CarbonylContact O-C 3.48Å; G67-G127 VanDerWaalsContact O-CA 3.24Å; G67-G127 WeakPolarHBondContact O-CA 3.4Å; G127-A267 CarbonylContact O-C 3.44Å; G127-A267 VanDerWaalsContact O-CA 3.26Å; G127-A267 WeakPolarHBondContact O-CA 3.44Å; G127-A268 PolarHBondContact N-O 3.13Å; G127-A268 PolarHBondContact O-N 2.9Å; G127-G365 WeakPolarHBondContact CA-O 3.3Å
128M98.9Very high98.5Very high0 Ų028.9 Ų28.90%016%0.159CC..EExtended strand (participates in β ladder)trans-150.1144-176.761.2-168.4-179.300110.1A39 T40 M66 G67 N68 P78 A82 G266 A267A39-M128 HydrophobicContact CB-CG 4.34Å; A39-M128 VanDerWaalsContact O-SD 3.38Å; T40-M128 HydrophobicContact CG2-CE 4.13Å; M66-M128 HydrophobicContact CB-CE 4.37Å; M66-M128 HydrophobicContact CE-CB 4.35Å; M66-M128 HydrophobicContact CE-CG 4.44Å; M66-M128 HydrophobicContact CE-SD 4.37Å; G67-M128 PolarHBondContact O-N 2.93Å; N68-M128 HydrophobicContact CB-CE 4.45Å; N68-M128 HydrophobicContact CB-CG 4.41Å; N68-M128 PolarHBondContact ND2-O 2.82Å; P78-M128 VanDerWaalsContact C-CE 3.42Å; P78-M128 HydrophobicContact CB-CE 3.64Å; P78-M128 WeakPolarHBondContact O-CE 3.39Å; A82-M128 HydrophobicContact CB-CE 4.02Å; A82-M128 HydrophobicContact CB-SD 3.68Å; M128-G266 WeakPolarHBondContact CA-O 3.46Å; M128-A267 HydrophobicContact CB-CB 3.68Å
129E98.9Very high98.3Very high0 Ų031.4 Ų31.40%018%0.176CC..EExtended strand (participates in β ladder)trans-149.8143.6175.5-155.668.3-94.900110N68 V69 L70 M131 G266 P363 I364 G365N68-E129 PolarHBondContact ND2-OE1 3.41Å; V69-E129 VanDerWaalsContact CB-OE2 3.28Å; V69-E129 WeakPolarHBondContact CB-OE2 3.24Å; V69-E129 PolarHBondContact N-OE2 2.95Å; L70-E129 WeakPolarHBondContact CB-OE1 3.21Å; L70-E129 PolarHBondContact N-OE1 2.73Å; L70-E129 VanDerWaalsContact N-OE1 3.1Å; E129-M131 HydrophobicContact CG-CG 3.79Å; E129-G266 PolarHBondContact N-O 2.87Å; E129-G266 PolarHBondContact O-N 2.91Å; E129-P363 HydrophobicContact CB-CB 3.92Å; E129-I364 HydrophobicContact CG-CG1 3.91Å; E129-I364 WeakPolarHBondContact OE2-CG1 3.4Å; E129-G365 VanDerWaalsContact OE2-CA 3.24Å; E129-G365 WeakPolarHBondContact OE2-CA 3.46Å; E129-G365 PolarHBondContact OE2-N 3.03Å
130S98.8Very high98Very high4 Ų427.3 Ų27.33%0.02816%0.161CC..EExtended strand (participates in β ladder)trans-129.992.3162.9-179.90000108L37 S132 N133 D265L37-S130 PolarHBondContact O-OG 2.83Å; S130-S132 PolarHBondContact O-N 3.03Å; S130-N133 PolarHBondContact O-N 3.15Å; S130-N133 PolarHBondContact OG-ND2 2.56Å; S130-D265 WeakPolarHBondContact CA-OD1 3.26Å; S130-D265 PolarHBondContact OG-OD1 3.38Å
131M98.8Very high97.7Very high6 Ų629 Ų293%0.0318%0.181CC..G310 helixtrans-68.6-28.7178.6-59.9-176.878.800111.1L70 E129 N133 A134 M156 L161 I263 S264 D265 I364L70-M131 HydrophobicContact CD1-CB 4.26Å; L70-M131 HydrophobicContact CD1-CE 4.5Å; L70-M131 HydrophobicContact CD1-CG 3.94Å; E129-M131 HydrophobicContact CG-CG 3.79Å; M131-N133 PolarHBondContact O-N 2.9Å; M131-A134 WeakPolarHBondContact O-CB 3.34Å; M131-A134 PolarHBondContact O-N 2.93Å; M131-M156 HydrophobicContact CB-SD 3.97Å; M131-M156 HydrophobicContact CE-CG 3.78Å; M131-M156 HydrophobicContact CE-SD 3.83Å; M131-L161 HydrophobicContact CE-CD1 4.03Å; M131-L161 HydrophobicContact CE-CD2 4.24Å; M131-L161 HydrophobicContact CE-CG 4.36Å; M131-I263 HydrophobicContact CB-CG2 3.53Å; M131-I263 HydrophobicContact CE-CB 4.45Å; M131-I263 HydrophobicContact CE-CG1 4.28Å; M131-I263 HydrophobicContact CE-CG2 3.88Å; M131-I263 HydrophobicContact CG-CG2 4.29Å; M131-I263 HydrophobicContact SD-CB 4.48Å; M131-I263 HydrophobicContact SD-CG2 3.85Å; M131-S264 VanDerWaalsContact CG-O 3.25Å; M131-S264 WeakPolarHBondContact CG-O 3.3Å; M131-D265 PolarHBondContact N-OD1 2.89Å; M131-I364 HydrophobicContact CE-CD1 4.31Å; M131-I364 HydrophobicContact CE-CG1 4.45Å; M131-I364 HydrophobicContact CE-CG2 4.14Å; M131-I364 HydrophobicContact SD-CG1 4.46Å; M131-I364 HydrophobicContact SD-CG2 4.22Å
132S98.7Very high97.6Very high17 Ų1739.3 Ų39.312%0.11922%0.218CC..G310 helixtrans-60.8-30.6173.4-63.30000113.6L31 S130 D265L31-S132 PolarHBondContact N-OG 3.17Å; S130-S132 PolarHBondContact O-N 3.03Å; S132-D265 WeakPolarHBondContact CB-OD2 3.29Å; S132-D265 PolarHBondContact N-OD1 2.71Å; S132-D265 VanDerWaalsContact OG-CG 3.29Å; S132-D265 PolarHBondContact OG-OD1 2.91Å; S132-D265 PolarHBondContact OG-OD2 3.41Å
133N98.6Very high97.3Very high68 Ų6850.5 Ų50.536%0.36426%0.259SS..G310 helixtrans-98.37.4-177.5-75.2-68.3000113.5S35 L37 S130 M131 P135S35-N133 PolarHBondContact O-ND2 2.99Å; S35-N133 PolarHBondContact O-OD1 2.98Å; L37-N133 PolarHBondContact O-ND2 2.77Å; L37-N133 VanDerWaalsContact O-ND2 3.1Å; S130-N133 PolarHBondContact O-N 3.15Å; S130-N133 PolarHBondContact OG-ND2 2.56Å; M131-N133 PolarHBondContact O-N 2.9Å; N133-P135 WeakPolarHBondContact O-CD 3.42Å
134A98.6Very high96.8Very high23 Ų2352.7 Ų52.719%0.1928%0.283CS..PPolyproline II helixtrans-65.4123.1174.600000110.1L70 M131 M156L70-A134 HydrophobicContact CB-CB 4.46Å; L70-A134 HydrophobicContact CD1-CB 3.88Å; M131-A134 WeakPolarHBondContact O-CB 3.34Å; M131-A134 PolarHBondContact O-N 2.93Å; A134-M156 HydrophobicContact CB-CB 3.74Å
135P98.5Very high96.3Very high34 Ų3455.3 Ų55.322%0.22130%0.301CS..PPolyproline II helixtrans-78.3167.7-176.235-39.4000111.8A72 N73 N133 Y137 G155A72-P135 HydrophobicContact CB-CG 3.99Å; N73-P135 HydrophobicContact CB-CB 4.38Å; N73-P135 HydrophobicContact CB-CG 3.88Å; N133-P135 WeakPolarHBondContact O-CD 3.42Å; P135-Y137 HydrophobicContact CG-CD1 4.3Å; P135-Y137 HydrophobicContact CG-CE1 3.73Å; P135-G155 WeakPolarHBondContact O-CA 3.41Å; P135-G155 PolarHBondContact O-N 2.93Å; P135-G155 VanDerWaalsContact O-N 3.11Å
136K98.4Very high96Very high121 Ų12167.5 Ų67.553%0.52635%0.347SS..EExtended strand (participates in β ladder)trans-84.7150.9160.8-55.9-62.2-169.9170.10109.8I153 D154K136-I153 CarbonylContact C-O 3.48Å; K136-I153 WeakPolarHBondContact CA-O 3.43Å; K136-D154 HydrophobicContact CD-CB 4.07Å; K136-D154 IonicContact NZ-OD2 3.66Å; K136-D154 PolarHBondContact NZ-OD2 2.91Å
137Y97.9Very high95.6Very high48 Ų4877.1 Ų77.119%0.18839%0.389CS..EExtended strand (participates in β ladder)trans-111.1148.3178.1-46.1-40.2000112.3A72 P135 I153 K158 D159A72-Y137 HydrophobicContact CB-CE1 3.53Å; A72-Y137 WeakPolarHBondContact CB-OH 3.41Å; P135-Y137 HydrophobicContact CG-CD1 4.3Å; P135-Y137 HydrophobicContact CG-CE1 3.73Å; Y137-I153 HydrophobicContact CD2-CB 4.47Å; Y137-I153 HydrophobicContact CD2-CG2 4.24Å; Y137-I153 PolarHBondContact N-O 2.98Å; Y137-I153 PolarHBondContact O-N 2.82Å; Y137-K158 HydrophobicContact CE2-CB 4.46Å; Y137-D159 WeakPolarHBondContact CE2-OD2 3.48Å; Y137-D159 VanDerWaalsContact CZ-OD2 3.25Å; Y137-D159 PolarHBondContact OH-OD2 3.34Å
138V96.2Very high95.2Very high66 Ų6679.8 Ų79.840%0.442%0.416SS..  trans-117.589.2166.7-171.30000108A140 A141 L152V138-A140 VanDerWaalsContact C-N 3.29Å; V138-A140 PolarHBondContact O-N 2.78Å; V138-A141 HydrophobicContact CB-CB 4.05Å; V138-A141 HydrophobicContact CG1-CB 3.9Å; V138-A141 WeakPolarHBondContact O-CB 3.36Å; V138-A141 PolarHBondContact O-N 3.39Å; V138-L152 HydrophobicContact CG2-CD2 3.55Å
139A92.7Very high95Very high85 Ų8589 Ų8970%0.70246%0.459SS*.THydrogen-bonded Turntrans-61.6-34.2-167.500000114I153A139-I153 HydrophobicContact CB-CD1 3.85Å
140A92.3Very high94.6Very high33 Ų3393.6 Ų93.627%0.27348%0.483SS..THydrogen-bonded Turntrans-85.2-5.5-177.700000114.1V138 R142 R143 G144V138-A140 VanDerWaalsContact C-N 3.29Å; V138-A140 PolarHBondContact O-N 2.78Å; A140-R142 VanDerWaalsContact C-N 3.28Å; A140-R142 PolarHBondContact O-N 3.49Å; A140-R143 PolarHBondContact O-N 2.86Å; A140-G144 PolarHBondContact O-N 3.23Å
141A93.1Very high94.3Very high70 Ų7098.3 Ų98.358%0.57951%0.512SS*.THydrogen-bonded Turntrans-54.5-36.8-167.400000114.5V138V138-A141 HydrophobicContact CB-CB 4.05Å; V138-A141 HydrophobicContact CG1-CB 3.9Å; V138-A141 WeakPolarHBondContact O-CB 3.36Å; V138-A141 PolarHBondContact O-N 3.39Å
142R95Very high94.2Very high249 Ų249103.9 Ų103.994%0.9454%0.541SS*.THydrogen-bonded Turntrans-69.3-35.6178.9-70.9-173.1-173-82.5-0113.9A140A140-R142 VanDerWaalsContact C-N 3.28Å; A140-R142 PolarHBondContact O-N 3.49Å
143R92.8Very high94.1Very high236 Ų236105.5 Ų105.589%0.89155%0.548SS*.THydrogen-bonded Turntrans-89-17178.9-69.6-172.2-70.2-171.4-1.8112.2A140A140-R143 PolarHBondContact O-N 2.86Å
144G89.6Confident94.1Very high47 Ų47103.8 Ų103.849%0.48554%0.539SS..  trans80.4157-167.700000112A140A140-G144 PolarHBondContact O-N 3.23Å
145S88.7Confident94.1Very high55 Ų55102.7 Ų102.739%0.38553%0.53SS..  trans-112.6112.6169.4-170.80000107.4D150S145-D150 WeakPolarHBondContact CB-OD1 3.48Å; S145-D150 PolarHBondContact OG-OD1 3.28Å
146R90.8Very high94.1Very high256 Ų256101.9 Ų101.997%0.96652%0.523SS*.  trans-70.8-40.5-165.5-175.8177.5177.7-174.8-0.5112.8
147F91.8Very high94Very high202 Ų20299.6 Ų99.689%0.88652%0.516SS*.SBendtrans-165.3138.3-175.9-174.9-99.9000109
148G91Very high94Very high55 Ų55102 Ų10257%0.56753%0.528SS*.SBendtrans111.8-177.8-177.600000113.4
149H92.8Very high94.1Very high193 Ų193102.4 Ų102.489%0.89453%0.528SS*.  trans-78.4140.9178.5-57.9-54.5000111.4
150D91Very high94.4Very high97 Ų9798.6 Ų98.652%0.51950%0.497SS..  trans-92.4158.1165.9-77.6-32.7000111.4S145S145-D150 WeakPolarHBondContact CB-OD1 3.48Å; S145-D150 PolarHBondContact OG-OD1 3.28Å
151V93.2Very high94.7Very high104 Ų10498.9 Ų98.963%0.6349%0.494SS*.  trans-112124.6176.6179.70000109.5I153V151-I153 HydrophobicContact CG1-CG1 4.08Å; V151-I153 PolarHBondContact O-N 3Å
152L96.3Very high94.9Very high123 Ų12399.5 Ų99.564%0.64448%0.481SS*.  trans-83.1102.5165.6-62-174.4000108.8V138V138-L152 HydrophobicContact CG2-CD2 3.55Å
153I97.4Very high95Very high50 Ų5087.8 Ų87.826%0.25644%0.437SS..EExtended strand (participates in β ladder)trans-78.3130.9-177-57.8170.5000108.7K136 Y137 A139 V151 G155 K158K136-I153 CarbonylContact C-O 3.48Å; K136-I153 WeakPolarHBondContact CA-O 3.43Å; Y137-I153 HydrophobicContact CD2-CB 4.47Å; Y137-I153 HydrophobicContact CD2-CG2 4.24Å; Y137-I153 PolarHBondContact N-O 2.98Å; Y137-I153 PolarHBondContact O-N 2.82Å; A139-I153 HydrophobicContact CB-CD1 3.85Å; V151-I153 HydrophobicContact CG1-CG1 4.08Å; V151-I153 PolarHBondContact O-N 3Å; I153-G155 PolarHBondContact O-N 2.96Å; I153-K158 HydrophobicContact CG2-CB 3.77Å; I153-K158 HydrophobicContact CG2-CG 4.05Å
154D98.3Very high95.1Very high33 Ų3381 Ų8118%0.17642%0.421CS..EExtended strand (participates in β ladder)trans-73.1113.6170.5-171.6-43.9000110.5K136 M156 L157 K158K136-D154 HydrophobicContact CD-CB 4.07Å; K136-D154 IonicContact NZ-OD2 3.66Å; K136-D154 PolarHBondContact NZ-OD2 2.91Å; D154-M156 VanDerWaalsContact C-N 3.34Å; D154-M156 PolarHBondContact O-N 2.91Å; D154-M156 WeakPolarHBondContact OD1-CA 3.44Å; D154-M156 VanDerWaalsContact OD1-CB 3.3Å; D154-M156 WeakPolarHBondContact OD1-CB 2.92Å; D154-M156 PolarHBondContact OD1-N 3.19Å; D154-L157 HydrophobicContact CB-CB 4Å; D154-L157 HydrophobicContact CB-CD1 3.91Å; D154-L157 HydrophobicContact CB-CG 4Å; D154-L157 PolarHBondContact O-N 2.92Å; D154-L157 PolarHBondContact OD1-N 2.71Å; D154-K158 VanDerWaalsContact O-CB 3.23Å; D154-K158 WeakPolarHBondContact O-CB 3.45Å; D154-K158 PolarHBondContact O-N 3.49Å
155G98.4Very high95.3Very high0 Ų086.4 Ų86.40%043%0.429CS..Hα-helixtrans-67.4-32.9-177.800000114P135 I153 K158 D159P135-G155 WeakPolarHBondContact O-CA 3.41Å; P135-G155 PolarHBondContact O-N 2.93Å; P135-G155 VanDerWaalsContact O-N 3.11Å; I153-G155 PolarHBondContact O-N 2.96Å; G155-K158 PolarHBondContact O-N 3.01Å; G155-D159 WeakPolarHBondContact O-CB 3.45Å; G155-D159 PolarHBondContact O-N 2.83Å
156M98.2Very high95.7Very high17 Ų1787.1 Ų87.18%0.08443%0.428CS..Hα-helixtrans-65.7-45.5174.6172.8-176.463.800111L70 M131 A134 D154 G160 L161 I263L70-M156 HydrophobicContact CD1-CB 4.01Å; L70-M156 HydrophobicContact CD1-CG 3.95Å; M131-M156 HydrophobicContact CB-SD 3.97Å; M131-M156 HydrophobicContact CE-CG 3.78Å; M131-M156 HydrophobicContact CE-SD 3.83Å; A134-M156 HydrophobicContact CB-CB 3.74Å; D154-M156 VanDerWaalsContact C-N 3.34Å; D154-M156 PolarHBondContact O-N 2.91Å; D154-M156 WeakPolarHBondContact OD1-CA 3.44Å; D154-M156 VanDerWaalsContact OD1-CB 3.3Å; D154-M156 WeakPolarHBondContact OD1-CB 2.92Å; D154-M156 PolarHBondContact OD1-N 3.19Å; M156-G160 WeakPolarHBondContact O-CA 3.43Å; M156-G160 PolarHBondContact O-N 3.12Å; M156-G160 VanDerWaalsContact O-N 3.09Å; M156-L161 HydrophobicContact CG-CD1 4Å; M156-L161 PolarHBondContact O-N 3.42Å; M156-L161 HydrophobicContact SD-CD1 4.49Å; M156-I263 HydrophobicContact CE-CD1 3.74Å; M156-I263 HydrophobicContact CE-CG2 4.43Å; M156-I263 HydrophobicContact SD-CB 4.48Å; M156-I263 HydrophobicContact SD-CD1 3.95Å; M156-I263 HydrophobicContact SD-CG1 4.23Å; M156-I263 HydrophobicContact SD-CG2 3.45Å; M156-I263 WeakPolarHBondContact SD-CG2 3.29Å
157L97.4Very high95.9Very high72 Ų7280.8 Ų80.838%0.37741%0.413SS..Iπ-helixtrans-63.1-51.7174.2-67.6177.9000110.3D154 D159 L161 W162D154-L157 HydrophobicContact CB-CB 4Å; D154-L157 HydrophobicContact CB-CD1 3.91Å; D154-L157 HydrophobicContact CB-CG 4Å; D154-L157 PolarHBondContact O-N 2.92Å; D154-L157 PolarHBondContact OD1-N 2.71Å; L157-D159 PolarHBondContact O-N 3.17Å; L157-L161 HydrophobicContact CD2-CB 4.29Å; L157-L161 HydrophobicContact CD2-CD1 4.26Å; L157-L161 CarbonylContact O-C 3.57Å; L157-L161 PolarHBondContact O-N 3.46Å; L157-W162 VanDerWaalsContact O-CB 3.25Å; L157-W162 WeakPolarHBondContact O-CB 3.49Å; L157-W162 PolarHBondContact O-N 3.26Å
158K97.8Very high96.1Very high98 Ų9873.4 Ų73.443%0.42638%0.381SS..Iπ-helixtrans-61.1-47.4-172.3178.958.5-177.5174.50113.7Y137 I153 D154 G155Y137-K158 HydrophobicContact CE2-CB 4.46Å; I153-K158 HydrophobicContact CG2-CB 3.77Å; I153-K158 HydrophobicContact CG2-CG 4.05Å; D154-K158 VanDerWaalsContact O-CB 3.23Å; D154-K158 WeakPolarHBondContact O-CB 3.45Å; D154-K158 PolarHBondContact O-N 3.49Å; G155-K158 PolarHBondContact O-N 3.01Å
159D98.3Very high96.4Very high75 Ų7572.3 Ų72.340%0.40136%0.364SS..Iπ-helixtrans-101-11.3-171.7-62.3-31.2000113.3V69 L70 Y137 G155 L157V69-D159 WeakPolarHBondContact CG1-O 3.3Å; L70-D159 HydrophobicContact CD2-CB 4.04Å; Y137-D159 WeakPolarHBondContact CE2-OD2 3.48Å; Y137-D159 VanDerWaalsContact CZ-OD2 3.25Å; Y137-D159 PolarHBondContact OH-OD2 3.34Å; G155-D159 WeakPolarHBondContact O-CB 3.45Å; G155-D159 PolarHBondContact O-N 2.83Å; L157-D159 PolarHBondContact O-N 3.17Å
160G98.2Very high96.7Very high6 Ų663.9 Ų63.96%0.06233%0.325CS..Iπ-helixtrans-117.4-39.4-176.300000115.4M156M156-G160 WeakPolarHBondContact O-CA 3.43Å; M156-G160 PolarHBondContact O-N 3.12Å; M156-G160 VanDerWaalsContact O-N 3.09Å
161L98.2Very high97Very high38 Ų3859.3 Ų59.320%0.19930%0.301CS..Iπ-helixtrans-128.49.6-160.6-53.8176.2000114.7M131 M156 L157 P169 M170 I263 I364M131-L161 HydrophobicContact CE-CD1 4.03Å; M131-L161 HydrophobicContact CE-CD2 4.24Å; M131-L161 HydrophobicContact CE-CG 4.36Å; M156-L161 HydrophobicContact CG-CD1 4Å; M156-L161 PolarHBondContact O-N 3.42Å; M156-L161 HydrophobicContact SD-CD1 4.49Å; L157-L161 HydrophobicContact CD2-CB 4.29Å; L157-L161 HydrophobicContact CD2-CD1 4.26Å; L157-L161 CarbonylContact O-C 3.57Å; L157-L161 PolarHBondContact O-N 3.46Å; L161-P169 WeakPolarHBondContact O-CA 3.3Å; L161-M170 WeakPolarHBondContact O-CG 3.46Å; L161-M170 PolarHBondContact O-N 3.36Å; L161-I263 HydrophobicContact CD1-CD1 4.5Å; L161-I263 HydrophobicContact CD1-CG1 4.42Å; L161-I364 HydrophobicContact CD2-CG2 4.43Å
162W98Very high97.2Very high84 Ų8456.9 Ų56.932%0.31828%0.283SS..EExtended strand (participates in β ladder)trans-116.2133.2-179-159.5-96.7000111.5L157 V164 D167 P169 M170L157-W162 VanDerWaalsContact O-CB 3.25Å; L157-W162 WeakPolarHBondContact O-CB 3.49Å; L157-W162 PolarHBondContact O-N 3.26Å; W162-V164 PolarHBondContact O-N 2.92Å; W162-D167 VanDerWaalsContact CZ2-C 3.46Å; W162-D167 VanDerWaalsContact CZ2-O 3.26Å; W162-D167 WeakPolarHBondContact CZ2-O 3.39Å; W162-D167 PolarHBondContact NE1-OD1 2.86Å; W162-P169 HydrophobicContact CE3-CB 4.09Å; W162-P169 HydrophobicContact CZ3-CB 4.01Å; W162-P169 VanDerWaalsContact CZ3-CD 3.48Å; W162-P169 HydrophobicContact CZ3-CG 4.19Å; W162-M170 VanDerWaalsContact C-CE 3.45Å
163D97.1Very high97.3Very high3 Ų351 Ų512%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-80.9117.6172.8-171.354.5000109.1Y165 N166 D167 F168 M170 P299D163-Y165 PolarHBondContact O-N 2.64Å; D163-Y165 PolarHBondContact OD2-N 2.7Å; D163-N166 VanDerWaalsContact OD2-CB 3.29Å; D163-N166 WeakPolarHBondContact OD2-CB 3.39Å; D163-N166 PolarHBondContact OD2-N 2.8Å; D163-N166 PolarHBondContact OD2-ND2 2.73Å; D163-D167 WeakPolarHBondContact O-CA 3.46Å; D163-D167 PolarHBondContact O-N 3.48Å; D163-D167 VanDerWaalsContact O-N 3.1Å; D163-F168 HydrophobicContact CB-CD2 3.85Å; D163-F168 HydrophobicContact CB-CE2 3.71Å; D163-F168 PolarHBondContact N-O 3.34Å; D163-M170 VanDerWaalsContact CA-CE 3.41Å; D163-M170 HydrophobicContact CB-CE 3.43Å; D163-M170 VanDerWaalsContact CB-CE 3.43Å; D163-P299 WeakPolarHBondContact OD1-CB 3.49Å
164V94.7Very high97.4Very high92 Ų9248.7 Ų48.756%0.55824%0.24SC*.THydrogen-bonded Turntrans-73.7-15.2-175.7-60.30000113.3W162W162-V164 PolarHBondContact O-N 2.92Å
165Y94.6Very high97.4Very high162 Ų16247.2 Ų47.264%0.63523%0.233SC*.THydrogen-bonded Turntrans-95.1-41-174.4-53.4-76.8000112.2D163 P299D163-Y165 PolarHBondContact O-N 2.64Å; D163-Y165 PolarHBondContact OD2-N 2.7Å; Y165-P299 HydrophobicContact CD2-CB 3.52Å; Y165-P299 HydrophobicContact CD2-CG 3.31Å; Y165-P299 HydrophobicContact CE2-CB 4.1Å; Y165-P299 HydrophobicContact CE2-CG 3.72Å; Y165-P299 HydrophobicContact CG-CB 4.33Å; Y165-P299 HydrophobicContact CG-CG 3.86Å
166N95.5Very high97.3Very high70 Ų7049.9 Ų49.937%0.37425%0.247SC..THydrogen-bonded Turntrans-101.8-4.1-178.6-62.8-76.5000114D163 F168 E300D163-N166 VanDerWaalsContact OD2-CB 3.29Å; D163-N166 WeakPolarHBondContact OD2-CB 3.39Å; D163-N166 PolarHBondContact OD2-N 2.8Å; D163-N166 PolarHBondContact OD2-ND2 2.73Å; N166-F168 HydrophobicContact CB-CD1 3.78Å; N166-F168 HydrophobicContact CB-CD2 4.25Å; N166-F168 HydrophobicContact CB-CE1 3.32Å; N166-F168 HydrophobicContact CB-CE2 3.77Å; N166-F168 HydrophobicContact CB-CG 4.23Å; N166-F168 HydrophobicContact CB-CZ 3.31Å; N166-E300 PolarHBondContact ND2-OE2 3.36Å; N166-E300 VanDerWaalsContact ND2-OE2 3.12Å
167D96.2Very high97.4Very high123 Ų12349.1 Ų49.166%0.65824%0.243SC*.THydrogen-bonded Turntrans56.350.3177.2-16135.7000114.5W162 D163W162-D167 VanDerWaalsContact CZ2-C 3.46Å; W162-D167 VanDerWaalsContact CZ2-O 3.26Å; W162-D167 WeakPolarHBondContact CZ2-O 3.39Å; W162-D167 PolarHBondContact NE1-OD1 2.86Å; D163-D167 WeakPolarHBondContact O-CA 3.46Å; D163-D167 PolarHBondContact O-N 3.48Å; D163-D167 VanDerWaalsContact O-N 3.1Å
168F96.5Very high97.4Very high46 Ų4645.8 Ų45.820%0.20223%0.226CC..EExtended strand (participates in β ladder)trans-144.2166.8176.657.2-141.5000112.2D163 N166 M172 C173 E300D163-F168 HydrophobicContact CB-CD2 3.85Å; D163-F168 HydrophobicContact CB-CE2 3.71Å; D163-F168 PolarHBondContact N-O 3.34Å; N166-F168 HydrophobicContact CB-CD1 3.78Å; N166-F168 HydrophobicContact CB-CD2 4.25Å; N166-F168 HydrophobicContact CB-CE1 3.32Å; N166-F168 HydrophobicContact CB-CE2 3.77Å; N166-F168 HydrophobicContact CB-CG 4.23Å; N166-F168 HydrophobicContact CB-CZ 3.31Å; F168-M172 HydrophobicContact CB-CB 4.09Å; F168-M172 HydrophobicContact CB-CG 3.98Å; F168-M172 HydrophobicContact CD1-CB 4Å; F168-M172 HydrophobicContact CD2-CB 3.86Å; F168-M172 HydrophobicContact CE1-CB 4.38Å; F168-M172 HydrophobicContact CE2-CB 4.32Å; F168-M172 HydrophobicContact CG-CB 3.73Å; F168-M172 HydrophobicContact CG-CG 4.17Å; F168-C173 WeakPolarHBondContact CE2-SG 3.4Å; F168-E300 HydrophobicContact CZ-CB 4.16Å
169P97.3Very high97.4Very high32 Ų3245.7 Ų45.721%0.20823%0.23CC..EExtended strand (participates in β ladder)trans-72154.5173.529.5-35.2000111.8L161 W162 G171 M172 F249L161-P169 WeakPolarHBondContact O-CA 3.3Å; W162-P169 HydrophobicContact CE3-CB 4.09Å; W162-P169 HydrophobicContact CZ3-CB 4.01Å; W162-P169 VanDerWaalsContact CZ3-CD 3.48Å; W162-P169 HydrophobicContact CZ3-CG 4.19Å; P169-G171 PolarHBondContact O-N 2.84Å; P169-M172 HydrophobicContact CG-CG 4.18Å; P169-M172 WeakPolarHBondContact O-CB 3.47Å; P169-M172 PolarHBondContact O-N 3.4Å; P169-F249 HydrophobicContact CB-CD1 4.24Å; P169-F249 HydrophobicContact CB-CE1 4.26Å; P169-F249 HydrophobicContact CG-CD1 3.81Å; P169-F249 HydrophobicContact CG-CE1 4.33Å
170M97.6Very high97.4Very high16 Ų1646.9 Ų46.98%0.07923%0.233CC..Hα-helixtrans-51.2-28.4176.6-69.7-62.799.900114.3L161 W162 D163 M172 C173 A174 F302 F333L161-M170 WeakPolarHBondContact O-CG 3.46Å; L161-M170 PolarHBondContact O-N 3.36Å; W162-M170 VanDerWaalsContact C-CE 3.45Å; D163-M170 VanDerWaalsContact CA-CE 3.41Å; D163-M170 HydrophobicContact CB-CE 3.43Å; D163-M170 VanDerWaalsContact CB-CE 3.43Å; M170-M172 PolarHBondContact O-N 2.67Å; M170-C173 VanDerWaalsContact O-CB 3.32Å; M170-C173 WeakPolarHBondContact O-CB 3.49Å; M170-C173 PolarHBondContact O-N 2.72Å; M170-C173 VanDerWaalsContact O-N 3.12Å; M170-A174 PolarHBondContact O-N 3.21Å; M170-F302 HydrophobicContact CB-CE1 4.36Å; M170-F302 HydrophobicContact CB-CZ 4.17Å; M170-F302 HydrophobicContact CG-CZ 4.45Å; M170-F302 HydrophobicContact SD-CD1 4.18Å; M170-F302 HydrophobicContact SD-CE1 3.57Å; M170-F302 VanDerWaalsContact SD-CE1 3.57Å; M170-F302 HydrophobicContact SD-CZ 3.88Å; M170-F333 HydrophobicContact CB-CE2 4.3Å; M170-F333 HydrophobicContact CB-CZ 4.34Å
171G97.6Very high97.4Very high1 Ų148.1 Ų48.11%0.0124%0.237CC..Hα-helixtrans-63.6-25.3176.500000114.2P169 C173 A174 E175P169-G171 PolarHBondContact O-N 2.84Å; G171-C173 VanDerWaalsContact C-N 3.34Å; G171-A174 WeakPolarHBondContact O-CB 3.27Å; G171-A174 PolarHBondContact O-N 3.17Å; G171-E175 WeakPolarHBondContact O-CG 3.06Å; G171-E175 PolarHBondContact O-N 3.24Å
172M98.1Very high97.4Very high54 Ų5451 Ų5127%0.26626%0.261SS..Hα-helixtrans-68.3-33.6172.2-73.1-59.7-63.600112.2F168 P169 M170 A174 E175 L176 F249 K250F168-M172 HydrophobicContact CB-CB 4.09Å; F168-M172 HydrophobicContact CB-CG 3.98Å; F168-M172 HydrophobicContact CD1-CB 4Å; F168-M172 HydrophobicContact CD2-CB 3.86Å; F168-M172 HydrophobicContact CE1-CB 4.38Å; F168-M172 HydrophobicContact CE2-CB 4.32Å; F168-M172 HydrophobicContact CG-CB 3.73Å; F168-M172 HydrophobicContact CG-CG 4.17Å; P169-M172 HydrophobicContact CG-CG 4.18Å; P169-M172 WeakPolarHBondContact O-CB 3.47Å; P169-M172 PolarHBondContact O-N 3.4Å; M170-M172 PolarHBondContact O-N 2.67Å; M172-A174 VanDerWaalsContact C-N 3.28Å; M172-A174 PolarHBondContact O-N 2.86Å; M172-E175 PolarHBondContact O-N 2.96Å; M172-L176 PolarHBondContact O-N 2.76Å; M172-F249 HydrophobicContact CG-CB 4.42Å; M172-F249 HydrophobicContact SD-CB 3.96Å; M172-F249 VanDerWaalsContact SD-O 3.39Å; M172-K250 HydrophobicContact CE-CB 4.42Å; M172-K250 HydrophobicContact CE-CD 4.45Å; M172-K250 HydrophobicContact SD-CB 4.01Å
173C98.1Very high97.4Very high0 Ų047.6 Ų47.60%025%0.248CC..Hα-helixtrans-66.4-33170.5-50.70000112F168 M170 G171 L176 C177 E300 F302 T303F168-C173 WeakPolarHBondContact CE2-SG 3.4Å; M170-C173 VanDerWaalsContact O-CB 3.32Å; M170-C173 WeakPolarHBondContact O-CB 3.49Å; M170-C173 PolarHBondContact O-N 2.72Å; M170-C173 VanDerWaalsContact O-N 3.12Å; G171-C173 VanDerWaalsContact C-N 3.34Å; C173-L176 PolarHBondContact O-N 3.02Å; C173-C177 WeakPolarHBondContact O-CB 3.29Å; C173-C177 PolarHBondContact O-N 3.12Å; C173-E300 WeakPolarHBondContact CB-O 3.47Å; C173-F302 HydrophobicContact CB-CD1 3.83Å; C173-F302 HydrophobicContact CB-CE1 3.33Å; C173-F302 HydrophobicContact CB-CZ 4.33Å; C173-T303 HydrophobicContact CB-CG2 4.14Å
174A98.5Very high97.5Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-68.9-40.6175.300000111.3M170 G171 M172 C177 A178 V255 F333 V335M170-A174 PolarHBondContact O-N 3.21Å; G171-A174 WeakPolarHBondContact O-CB 3.27Å; G171-A174 PolarHBondContact O-N 3.17Å; M172-A174 VanDerWaalsContact C-N 3.28Å; M172-A174 PolarHBondContact O-N 2.86Å; A174-C177 WeakPolarHBondContact O-CB 3.35Å; A174-C177 PolarHBondContact O-N 2.89Å; A174-A178 PolarHBondContact O-N 2.91Å; A174-V255 HydrophobicContact CB-CG2 3.87Å; A174-F333 HydrophobicContact CB-CB 3.98Å; A174-F333 HydrophobicContact CB-CD1 3.85Å; A174-F333 HydrophobicContact CB-CD2 3.62Å; A174-F333 HydrophobicContact CB-CE1 4.26Å; A174-F333 HydrophobicContact CB-CE2 4.04Å; A174-F333 HydrophobicContact CB-CG 3.52Å; A174-F333 HydrophobicContact CB-CZ 4.35Å; A174-V335 HydrophobicContact CB-CG1 3.81Å
175E98.5Very high97.6Very high3 Ų347.2 Ų47.21%0.01424%0.243CC..Hα-helixtrans-60.7-44.2170.5-65.1-70.6-171.500111.4G171 M172 C177 A178 D179 F249 K250 G253 S254 V255G171-E175 WeakPolarHBondContact O-CG 3.06Å; G171-E175 PolarHBondContact O-N 3.24Å; M172-E175 PolarHBondContact O-N 2.96Å; E175-C177 VanDerWaalsContact C-N 3.3Å; E175-C177 PolarHBondContact O-N 3.22Å; E175-A178 WeakPolarHBondContact O-CB 3.49Å; E175-A178 PolarHBondContact O-N 2.57Å; E175-A178 VanDerWaalsContact O-N 3.16Å; E175-D179 PolarHBondContact O-N 3.29Å; E175-F249 HydrophobicContact CG-CB 4.35Å; E175-K250 HydrophobicContact CG-CB 4.23Å; E175-G253 WeakPolarHBondContact OE1-CA 3.29Å; E175-S254 PolarHBondContact OE1-N 3.48Å; E175-S254 VanDerWaalsContact OE1-N 3.12Å; E175-S254 PolarHBondContact OE2-N 2.92Å; E175-S254 PolarHBondContact OE2-OG 2.87Å; E175-V255 HydrophobicContact CG-CB 4.28Å; E175-V255 HydrophobicContact CG-CG2 3.98Å; E175-V255 WeakPolarHBondContact OE1-CB 3.38Å; E175-V255 PolarHBondContact OE1-N 2.88Å; E175-V255 PolarHBondContact OE2-N 2.67Å
176L98Very high97.8Very high56 Ų5645.7 Ų45.729%0.29324%0.242SC..Hα-helixtrans-58.4-42.9174.8178.965.1000111.8M172 C173 A178 D179 Q180 E300 L301M172-L176 PolarHBondContact O-N 2.76Å; C173-L176 PolarHBondContact O-N 3.02Å; L176-A178 VanDerWaalsContact C-N 3.35Å; L176-D179 PolarHBondContact O-N 2.96Å; L176-Q180 HydrophobicContact CD1-CG 4.15Å; L176-Q180 HydrophobicContact CG-CG 4.39Å; L176-Q180 WeakPolarHBondContact O-CB 3.45Å; L176-Q180 VanDerWaalsContact O-CG 3.29Å; L176-Q180 WeakPolarHBondContact O-CG 3.47Å; L176-Q180 PolarHBondContact O-N 2.78Å; L176-E300 HydrophobicContact CD2-CB 3.93Å; L176-E300 HydrophobicContact CD2-CG 3.75Å; L176-L301 HydrophobicContact CD2-CD2 4.39Å
177C98.6Very high97.9Very high0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-61.9-42.4176.1-171.90000111.7C173 A174 E175 Q180 H181 T303 V335 A339C173-C177 WeakPolarHBondContact O-CB 3.29Å; C173-C177 PolarHBondContact O-N 3.12Å; A174-C177 WeakPolarHBondContact O-CB 3.35Å; A174-C177 PolarHBondContact O-N 2.89Å; E175-C177 VanDerWaalsContact C-N 3.3Å; E175-C177 PolarHBondContact O-N 3.22Å; C177-Q180 PolarHBondContact O-N 2.69Å; C177-H181 WeakPolarHBondContact O-CB 3.34Å; C177-H181 PolarHBondContact O-CD2 3.04Å; C177-H181 PolarHBondContact O-N 2.62Å; C177-T303 HydrophobicContact CB-CG2 4.1Å; C177-T303 WeakPolarHBondContact CB-OG1 3.45Å; C177-V335 HydrophobicContact CB-CG1 4.49Å; C177-V335 HydrophobicContact CB-CG2 4.19Å; C177-A339 VanDerWaalsContact SG-CB 3.6Å
178A98.6Very high98.1Very high3 Ų340.9 Ų40.93%0.02521%0.213CC..Hα-helixtrans-61.2-47.3177.300000111.1A174 E175 L176 S182 I183 S254 V335A174-A178 PolarHBondContact O-N 2.91Å; E175-A178 WeakPolarHBondContact O-CB 3.49Å; E175-A178 PolarHBondContact O-N 2.57Å; E175-A178 VanDerWaalsContact O-N 3.16Å; L176-A178 VanDerWaalsContact C-N 3.35Å; A178-S182 WeakPolarHBondContact O-CA 3.25Å; A178-S182 PolarHBondContact O-N 3.01Å; A178-I183 PolarHBondContact O-N 2.9Å; A178-S254 VanDerWaalsContact CB-OG 3.29Å; A178-S254 WeakPolarHBondContact CB-OG 3.2Å; A178-V335 HydrophobicContact CB-CG2 3.86Å
179D97.8Very high98.2Very high96 Ų9639 Ų3951%0.51321%0.205SC..Hα-helixtrans-61.5-49.4177.9-70.8-17000110.8E175 L176 H181 S182 K250E175-D179 PolarHBondContact O-N 3.29Å; L176-D179 PolarHBondContact O-N 2.96Å; D179-H181 PolarHBondContact O-N 3.29Å; D179-S182 PolarHBondContact O-N 3.31Å; D179-K250 IonicContact OD2-NZ 2.79Å; D179-K250 PolarHBondContact OD2-NZ 3.09Å
180Q97.9Very high98.2Very high99 Ų9941.3 Ų41.346%0.46322%0.215SC..Hα-helixtrans-66.4-33.8-177.2-75.5179.1-14.300114.2L176 C177L176-Q180 HydrophobicContact CD1-CG 4.15Å; L176-Q180 HydrophobicContact CG-CG 4.39Å; L176-Q180 WeakPolarHBondContact O-CB 3.45Å; L176-Q180 VanDerWaalsContact O-CG 3.29Å; L176-Q180 WeakPolarHBondContact O-CG 3.47Å; L176-Q180 PolarHBondContact O-N 2.78Å; C177-Q180 PolarHBondContact O-N 2.69Å
181H98.3Very high98.3Very high32 Ų3241.1 Ų41.115%0.14821%0.214CC..Hα-helixtrans-100.31.7-178.9-68.4-71.8000114.1C177 D179 I183 T304 K342C177-H181 WeakPolarHBondContact O-CB 3.34Å; C177-H181 PolarHBondContact O-CD2 3.04Å; C177-H181 PolarHBondContact O-N 2.62Å; D179-H181 PolarHBondContact O-N 3.29Å; H181-I183 VanDerWaalsContact C-N 3.34Å; H181-I183 HydrophobicContact CB-CD1 3.78Å; H181-I183 HydrophobicContact CB-CG1 3.95Å; H181-T304 WeakPolarHBondContact NE2-CG2 3.24Å; H181-K342 PolarHBondContact O-NZ 2.76Å
182S98Very high98.3Very high99 Ų9941.1 Ų41.169%0.69221%0.213SC*.THydrogen-bonded Turntrans5448-177.3-48.20000112.3A178 D179A178-S182 WeakPolarHBondContact O-CA 3.25Å; A178-S182 PolarHBondContact O-N 3.01Å; D179-S182 PolarHBondContact O-N 3.31Å
183I98.5Very high98.3Very high12 Ų1239 Ų396%0.06220%0.203CC..  trans-98.4111.3179.2-61.5169000108.5A178 H181 E187 Q188 V335 L338 A339A178-I183 PolarHBondContact O-N 2.9Å; H181-I183 VanDerWaalsContact C-N 3.34Å; H181-I183 HydrophobicContact CB-CD1 3.78Å; H181-I183 HydrophobicContact CB-CG1 3.95Å; I183-E187 HydrophobicContact CG2-CB 4.11Å; I183-Q188 HydrophobicContact CG2-CG 3.86Å; I183-Q188 PolarHBondContact O-NE2 3.41Å; I183-V335 HydrophobicContact CB-CG2 4.18Å; I183-V335 HydrophobicContact CD1-CG2 3.8Å; I183-V335 HydrophobicContact CG2-CG2 4.29Å; I183-L338 HydrophobicContact CD1-CB 3.9Å; I183-L338 HydrophobicContact CG2-CB 4.33Å; I183-L338 HydrophobicContact CG2-CD1 3.68Å; I183-A339 HydrophobicContact CD1-CB 3.84Å
184S98.2Very high98.3Very high41 Ų4142.3 Ų42.329%0.28722%0.219SC..  trans-67.7163.9-176.463.80000113.4E186 E187 Q188S184-E186 VanDerWaalsContact C-N 3.26Å; S184-E186 PolarHBondContact O-N 3.1Å; S184-E187 WeakPolarHBondContact CB-OE2 3.43Å; S184-E187 PolarHBondContact N-OE2 3.04Å; S184-E187 PolarHBondContact O-N 3.18Å; S184-E187 WeakPolarHBondContact OG-CB 3.18Å; S184-E187 VanDerWaalsContact OG-CG 3.22Å; S184-E187 WeakPolarHBondContact OG-CG 3.2Å; S184-E187 PolarHBondContact OG-N 3.11Å; S184-E187 VanDerWaalsContact OG-N 3.16Å; S184-E187 PolarHBondContact OG-OE2 3.39Å; S184-Q188 WeakPolarHBondContact O-CG 3.25Å; S184-Q188 PolarHBondContact O-N 3.24Å; S184-Q188 VanDerWaalsContact O-N 3.17Å
185R98.2Very high98.3Very high46 Ų4642.4 Ų42.417%0.17422%0.219CC..Hα-helixtrans-58.5-41.7170.516859.8-167.7-78.9-7.6111Q188 D189 L242 R243 L245 S254 T256R185-Q188 PolarHBondContact O-N 3.26Å; R185-D189 IonicContact CZ-OD1 2.8Å; R185-D189 IonicContact CZ-OD2 2.87Å; R185-D189 VanDerWaalsContact CZ-OD2 3.24Å; R185-D189 IonicContact NE-OD1 3.24Å; R185-D189 PolarHBondContact NE-OD1 3.09Å; R185-D189 IonicContact NE-OD2 3.3Å; R185-D189 PolarHBondContact NE-OD2 3.36Å; R185-D189 IonicContact NH2-OD1 3.46Å; R185-D189 IonicContact NH2-OD2 2.87Å; R185-D189 PolarHBondContact NH2-OD2 3.1Å; R185-D189 PolarHBondContact O-N 2.86Å; R185-L242 PolarHBondContact NH2-O 2.9Å; R185-R243 PolarHBondContact NH2-O 2.8Å; R185-L245 PolarHBondContact NH1-O 2.86Å; R185-L245 PolarHBondContact NH2-O 2.77Å; R185-S254 WeakPolarHBondContact CD-O 3.39Å; R185-T256 VanDerWaalsContact NH1-CG2 3.26Å
186E98.2Very high98.3Very high130 Ų13042.8 Ų42.861%0.60722%0.222SC*.Hα-helixtrans-64.6-41.7-177.7-67.668.6-15300111.6S184 L190S184-E186 VanDerWaalsContact C-N 3.26Å; S184-E186 PolarHBondContact O-N 3.1Å; E186-L190 VanDerWaalsContact O-CB 3.27Å; E186-L190 WeakPolarHBondContact O-CB 3.29Å; E186-L190 PolarHBondContact O-N 2.92Å
187E98.4Very high98.3Very high92 Ų9245 Ų4543%0.4323%0.23SC..Hα-helixtrans-63.2-44.5174.3-75.4167.5107.800111.7I183 S184 L190 Y191 L338I183-E187 HydrophobicContact CG2-CB 4.11Å; S184-E187 WeakPolarHBondContact CB-OE2 3.43Å; S184-E187 PolarHBondContact N-OE2 3.04Å; S184-E187 PolarHBondContact O-N 3.18Å; S184-E187 WeakPolarHBondContact OG-CB 3.18Å; S184-E187 VanDerWaalsContact OG-CG 3.22Å; S184-E187 WeakPolarHBondContact OG-CG 3.2Å; S184-E187 PolarHBondContact OG-N 3.11Å; S184-E187 VanDerWaalsContact OG-N 3.16Å; S184-E187 PolarHBondContact OG-OE2 3.39Å; E187-L190 PolarHBondContact O-N 3.07Å; E187-Y191 WeakPolarHBondContact O-CB 3.17Å; E187-Y191 PolarHBondContact O-N 3.46Å; E187-L338 HydrophobicContact CB-CD1 4.35Å
188Q98.7Very high98.2Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-62.7-45177.4-69.3178.961.400111.9I183 S184 R185 Y191 A192 S254 N259 S334 V335 L338I183-Q188 HydrophobicContact CG2-CG 3.86Å; I183-Q188 PolarHBondContact O-NE2 3.41Å; S184-Q188 WeakPolarHBondContact O-CG 3.25Å; S184-Q188 PolarHBondContact O-N 3.24Å; S184-Q188 VanDerWaalsContact O-N 3.17Å; R185-Q188 PolarHBondContact O-N 3.26Å; Q188-Y191 PolarHBondContact O-N 3.07Å; Q188-A192 WeakPolarHBondContact O-CB 3.3Å; Q188-A192 PolarHBondContact O-N 3.41Å; Q188-S254 PolarHBondContact NE2-OG 2.91Å; Q188-N259 HydrophobicContact CB-CB 4.21Å; Q188-S334 PolarHBondContact O-OG 3.07Å; Q188-V335 HydrophobicContact CG-CB 4.16Å; Q188-L338 HydrophobicContact CG-CD1 4.2Å
189D98.6Very high98.2Very high6 Ų647.5 Ų47.53%0.03224%0.239CC..Hα-helixtrans-66.5-39.9178.3-79.112.5000112R185 A192 I193 L242 N259R185-D189 IonicContact CZ-OD1 2.8Å; R185-D189 IonicContact CZ-OD2 2.87Å; R185-D189 VanDerWaalsContact CZ-OD2 3.24Å; R185-D189 IonicContact NE-OD1 3.24Å; R185-D189 PolarHBondContact NE-OD1 3.09Å; R185-D189 IonicContact NE-OD2 3.3Å; R185-D189 PolarHBondContact NE-OD2 3.36Å; R185-D189 IonicContact NH2-OD1 3.46Å; R185-D189 IonicContact NH2-OD2 2.87Å; R185-D189 PolarHBondContact NH2-OD2 3.1Å; R185-D189 PolarHBondContact O-N 2.86Å; D189-A192 PolarHBondContact O-N 3.32Å; D189-I193 WeakPolarHBondContact O-CD1 3.49Å; D189-I193 VanDerWaalsContact O-CG1 3.27Å; D189-I193 WeakPolarHBondContact O-CG1 3.45Å; D189-I193 PolarHBondContact O-N 3.37Å; D189-L242 HydrophobicContact CB-CD2 3.69Å; D189-N259 PolarHBondContact OD1-ND2 2.88Å
190L98.2Very high98.2Very high81 Ų8144.7 Ų44.742%0.42422%0.224SC..Hα-helixtrans-63.3-43176-178.562000111.2E186 E187 I193 Q194E186-L190 VanDerWaalsContact O-CB 3.27Å; E186-L190 WeakPolarHBondContact O-CB 3.29Å; E186-L190 PolarHBondContact O-N 2.92Å; E187-L190 PolarHBondContact O-N 3.07Å; L190-I193 PolarHBondContact O-N 3.48Å; L190-Q194 WeakPolarHBondContact O-CG 3.49Å; L190-Q194 PolarHBondContact O-N 2.85Å
191Y98.5Very high98.2Very high13 Ų1342.7 Ų42.75%0.05122%0.224CC..Hα-helixtrans-61.5-46.4174.9-176.5-86.4000111.7E187 Q188 I193 Q194 S195 E331 A337 L338 N352E187-Y191 WeakPolarHBondContact O-CB 3.17Å; E187-Y191 PolarHBondContact O-N 3.46Å; Q188-Y191 PolarHBondContact O-N 3.07Å; Y191-I193 VanDerWaalsContact C-N 3.3Å; Y191-I193 PolarHBondContact O-N 2.94Å; Y191-Q194 PolarHBondContact O-N 3.04Å; Y191-Q194 VanDerWaalsContact O-N 3.17Å; Y191-S195 PolarHBondContact O-N 3.28Å; Y191-E331 HydrophobicContact CE1-CG 4.07Å; Y191-E331 PolarHBondContact OH-OE1 3.42Å; Y191-A337 HydrophobicContact CE1-CB 3.72Å; Y191-A337 HydrophobicContact CE2-CB 4.09Å; Y191-A337 WeakPolarHBondContact OH-CB 3.35Å; Y191-L338 HydrophobicContact CD2-CD2 3.61Å; Y191-L338 HydrophobicContact CD2-CG 3.9Å; Y191-L338 HydrophobicContact CE2-CD2 4.4Å; Y191-L338 HydrophobicContact CG-CD1 4.33Å; Y191-L338 HydrophobicContact CG-CD2 4.1Å; Y191-L338 HydrophobicContact CG-CG 4Å; Y191-N352 PolarHBondContact OH-ND2 2.96Å
192A98.5Very high98.1Very high0 Ų041.5 Ų41.50%022%0.219CC..Hα-helixtrans-59.5-41.1178.700000112.3Q188 D189 S195 N196 L242 N259 V358Q188-A192 WeakPolarHBondContact O-CB 3.3Å; Q188-A192 PolarHBondContact O-N 3.41Å; D189-A192 PolarHBondContact O-N 3.32Å; A192-S195 PolarHBondContact O-N 3.47Å; A192-N196 PolarHBondContact O-N 2.85Å; A192-N196 VanDerWaalsContact O-N 3.09Å; A192-N196 PolarHBondContact O-ND2 2.84Å; A192-L242 HydrophobicContact CB-CD1 3.87Å; A192-L242 HydrophobicContact CB-CD2 4.44Å; A192-N259 HydrophobicContact CB-CB 3.92Å; A192-V358 HydrophobicContact CB-CG1 3.67Å
193I98.4Very high98Very high9 Ų940.7 Ų40.75%0.04620%0.201CC..Hα-helixtrans-62.1-49174.6-71.8164.2000110.4D189 L190 Y191 S195 N196 E197 F237 L242 R243D189-I193 WeakPolarHBondContact O-CD1 3.49Å; D189-I193 VanDerWaalsContact O-CG1 3.27Å; D189-I193 WeakPolarHBondContact O-CG1 3.45Å; D189-I193 PolarHBondContact O-N 3.37Å; L190-I193 PolarHBondContact O-N 3.48Å; Y191-I193 VanDerWaalsContact C-N 3.3Å; Y191-I193 PolarHBondContact O-N 2.94Å; I193-S195 VanDerWaalsContact C-N 3.34Å; I193-S195 PolarHBondContact O-N 3.09Å; I193-N196 PolarHBondContact O-N 3.35Å; I193-N196 VanDerWaalsContact O-N 3.16Å; I193-E197 HydrophobicContact CG2-CG 4.38Å; I193-E197 WeakPolarHBondContact CG2-OE1 3.45Å; I193-E197 WeakPolarHBondContact O-CG 3.5Å; I193-E197 PolarHBondContact O-N 2.89Å; I193-F237 HydrophobicContact CB-CZ 4.33Å; I193-F237 HydrophobicContact CG1-CZ 4.16Å; I193-F237 HydrophobicContact CG2-CZ 4.19Å; I193-L242 HydrophobicContact CD1-CD2 4.39Å; I193-L242 HydrophobicContact CG1-CD1 4.11Å; I193-L242 HydrophobicContact CG1-CD2 4.25Å; I193-R243 HydrophobicContact CD1-CG 4.15Å
194Q97.9Very high97.9Very high71 Ų7145.1 Ų45.133%0.33223%0.225SC..Hα-helixtrans-61.3-40.1178-71.1176.821.700112.4L190 Y191 N196 E197 R198L190-Q194 WeakPolarHBondContact O-CG 3.49Å; L190-Q194 PolarHBondContact O-N 2.85Å; Y191-Q194 PolarHBondContact O-N 3.04Å; Y191-Q194 VanDerWaalsContact O-N 3.17Å; Q194-N196 VanDerWaalsContact C-N 3.32Å; Q194-N196 PolarHBondContact O-N 3.4Å; Q194-E197 PolarHBondContact O-N 3.46Å; Q194-R198 WeakPolarHBondContact O-CB 3.49Å; Q194-R198 WeakPolarHBondContact O-CG 3.47Å; Q194-R198 PolarHBondContact O-N 2.72Å
195S98.3Very high97.8Very high2 Ų247.1 Ų47.11%0.01424%0.239CC..Hα-helixtrans-61.7-40.4176.1-179.40000111.4Y191 A192 I193 A199 E331 G355 G356 S359Y191-S195 PolarHBondContact O-N 3.28Å; A192-S195 PolarHBondContact O-N 3.47Å; I193-S195 VanDerWaalsContact C-N 3.34Å; I193-S195 PolarHBondContact O-N 3.09Å; S195-A199 WeakPolarHBondContact O-CB 3.35Å; S195-A199 PolarHBondContact O-N 3.31Å; S195-E331 VanDerWaalsContact OG-CD 3.3Å; S195-E331 PolarHBondContact OG-OE1 3.39Å; S195-E331 VanDerWaalsContact OG-OE1 3.13Å; S195-E331 PolarHBondContact OG-OE2 3.09Å; S195-G355 WeakPolarHBondContact O-CA 3.26Å; S195-G356 PolarHBondContact OG-N 2.91Å; S195-G356 VanDerWaalsContact OG-N 3.14Å; S195-S359 WeakPolarHBondContact O-CB 3.36Å; S195-S359 PolarHBondContact O-OG 2.92Å; S195-S359 VanDerWaalsContact O-OG 3.14Å; S195-S359 PolarHBondContact OG-OG 3.32Å
196N98.3Very high97.6Very high11 Ų1146.3 Ų46.36%0.05925%0.245CC..Hα-helixtrans-68.3-44.8175.7-82.9-88.6000112.4A192 I193 Q194 R198 A199 I200 F237A192-N196 PolarHBondContact O-N 2.85Å; A192-N196 VanDerWaalsContact O-N 3.09Å; A192-N196 PolarHBondContact O-ND2 2.84Å; I193-N196 PolarHBondContact O-N 3.35Å; I193-N196 VanDerWaalsContact O-N 3.16Å; Q194-N196 VanDerWaalsContact C-N 3.32Å; Q194-N196 PolarHBondContact O-N 3.4Å; N196-R198 VanDerWaalsContact C-N 3.32Å; N196-R198 PolarHBondContact O-N 3.33Å; N196-A199 PolarHBondContact O-N 2.6Å; N196-I200 WeakPolarHBondContact O-CB 3.4Å; N196-I200 VanDerWaalsContact O-CG1 3.26Å; N196-I200 WeakPolarHBondContact O-CG1 3.28Å; N196-I200 PolarHBondContact O-N 3.02Å; N196-F237 HydrophobicContact CB-CD1 3.95Å; N196-F237 HydrophobicContact CB-CD2 3.47Å; N196-F237 VanDerWaalsContact CB-CD2 3.47Å; N196-F237 HydrophobicContact CB-CE1 3.88Å; N196-F237 HydrophobicContact CB-CE2 3.41Å; N196-F237 VanDerWaalsContact CB-CE2 3.41Å; N196-F237 HydrophobicContact CB-CG 3.74Å; N196-F237 HydrophobicContact CB-CZ 3.62Å; N196-F237 WeakPolarHBondContact OD1-CD2 3.24Å
197E97.8Very high97.4Very high103 Ų10340.8 Ų40.848%0.48122%0.22SC..Hα-helixtrans-60-42176.9-71.9170.8171.400111.7I193 Q194 I200 A201 F237I193-E197 HydrophobicContact CG2-CG 4.38Å; I193-E197 WeakPolarHBondContact CG2-OE1 3.45Å; I193-E197 WeakPolarHBondContact O-CG 3.5Å; I193-E197 PolarHBondContact O-N 2.89Å; Q194-E197 PolarHBondContact O-N 3.46Å; E197-I200 PolarHBondContact O-N 2.83Å; E197-A201 WeakPolarHBondContact O-CB 3.24Å; E197-A201 PolarHBondContact O-N 2.67Å; E197-F237 HydrophobicContact CG-CE1 4.44Å
198R97.8Very high97.3Very high55 Ų5536.8 Ų36.821%0.20820%0.201CC..Hα-helixtrans-65-42.7175.3-71.5170.6-173.7-169.4-1.9112.6Q194 N196 A201 A202 S348 L351 N352Q194-R198 WeakPolarHBondContact O-CB 3.49Å; Q194-R198 WeakPolarHBondContact O-CG 3.47Å; Q194-R198 PolarHBondContact O-N 2.72Å; N196-R198 VanDerWaalsContact C-N 3.32Å; N196-R198 PolarHBondContact O-N 3.33Å; R198-A201 PolarHBondContact O-N 3.04Å; R198-A202 WeakPolarHBondContact O-CB 3.37Å; R198-A202 PolarHBondContact O-N 3.14Å; R198-S348 PolarHBondContact NH2-O 2.77Å; R198-L351 PolarHBondContact NH1-O 3.28Å; R198-N352 WeakPolarHBondContact CD-O 3.16Å; R198-N352 PolarHBondContact NH1-O 2.82Å
199A98.1Very high97.1Very high0 Ų041.1 Ų41.10%023%0.232CC..Hα-helixtrans-66.7-40177.300000112.4S195 N196 A202 R203 F208 L234 S354 S359 L360S195-A199 WeakPolarHBondContact O-CB 3.35Å; S195-A199 PolarHBondContact O-N 3.31Å; N196-A199 PolarHBondContact O-N 2.6Å; A199-A202 PolarHBondContact O-N 3Å; A199-R203 WeakPolarHBondContact O-CB 3.42Å; A199-R203 PolarHBondContact O-N 3.08Å; A199-F208 WeakPolarHBondContact O-CE2 3.35Å; A199-L234 HydrophobicContact CB-CD1 4.08Å; A199-L234 HydrophobicContact CB-CD2 3.48Å; A199-L234 VanDerWaalsContact CB-CD2 3.48Å; A199-L234 HydrophobicContact CB-CG 4.44Å; A199-S354 VanDerWaalsContact CA-O 3.24Å; A199-S354 WeakPolarHBondContact CA-O 3.38Å; A199-S354 WeakPolarHBondContact CB-O 3.48Å; A199-S359 WeakPolarHBondContact CB-OG 3.23Å; A199-L360 HydrophobicContact CB-CD2 3.93Å; A199-L360 HydrophobicContact CB-CG 4.33Å
200I98Very high97Very high37 Ų3742.6 Ų42.619%0.1924%0.237CC..Hα-helixtrans-61.9-47.5173.5-71.9165.5000110.2N196 E197 A202 R203 D204 L234 F237N196-I200 WeakPolarHBondContact O-CB 3.4Å; N196-I200 VanDerWaalsContact O-CG1 3.26Å; N196-I200 WeakPolarHBondContact O-CG1 3.28Å; N196-I200 PolarHBondContact O-N 3.02Å; E197-I200 PolarHBondContact O-N 2.83Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 2.87Å; I200-R203 WeakPolarHBondContact O-CB 3.26Å; I200-R203 PolarHBondContact O-N 2.8Å; I200-D204 WeakPolarHBondContact O-CB 3.5Å; I200-D204 VanDerWaalsContact O-CG 3.22Å; I200-D204 PolarHBondContact O-N 2.55Å; I200-L234 HydrophobicContact CG1-CB 4.33Å; I200-F237 HydrophobicContact CD1-CB 4.06Å; I200-F237 HydrophobicContact CD1-CD1 3.65Å; I200-F237 HydrophobicContact CD1-CG 4.18Å
201A97.3Very high97Very high57 Ų5738.7 Ų38.747%0.47122%0.217SC..Hα-helixtrans-60.2-41.3176.300000112.1E197 R198 D204 S205E197-A201 WeakPolarHBondContact O-CB 3.24Å; E197-A201 PolarHBondContact O-N 2.67Å; R198-A201 PolarHBondContact O-N 3.04Å; A201-D204 PolarHBondContact O-N 2.91Å; A201-S205 WeakPolarHBondContact O-CB 3.29Å; A201-S205 PolarHBondContact O-N 2.73Å; A201-S205 PolarHBondContact O-OG 2.77Å
202A97Very high97Very high6 Ų638.9 Ų38.95%0.0522%0.218CC..Hα-helixtrans-65.2-39.9176.700000112.5R198 A199 I200 S205 G206 T207 F208R198-A202 WeakPolarHBondContact O-CB 3.37Å; R198-A202 PolarHBondContact O-N 3.14Å; A199-A202 PolarHBondContact O-N 3Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 2.87Å; A202-S205 PolarHBondContact O-OG 3.29Å; A202-G206 PolarHBondContact O-N 3.17Å; A202-T207 HydrophobicContact CB-CG2 4.23Å; A202-T207 WeakPolarHBondContact O-CA 3.44Å; A202-T207 WeakPolarHBondContact O-CB 3.31Å; A202-T207 PolarHBondContact O-N 2.79Å; A202-F208 HydrophobicContact CB-CD2 4.38Å; A202-F208 HydrophobicContact CB-CE1 4.2Å; A202-F208 HydrophobicContact CB-CE2 3.76Å; A202-F208 HydrophobicContact CB-CZ 3.66Å
203R96Very high97Very high82 Ų8239.1 Ų39.131%0.30922%0.22SC..Hα-helixtrans-60.6-51.1172179.8-161.570.2-161.8-3.1110.7A199 I200 S205 G206 F208 L234A199-R203 WeakPolarHBondContact O-CB 3.42Å; A199-R203 PolarHBondContact O-N 3.08Å; I200-R203 WeakPolarHBondContact O-CB 3.26Å; I200-R203 PolarHBondContact O-N 2.8Å; R203-S205 VanDerWaalsContact C-N 3.32Å; R203-S205 PolarHBondContact O-N 2.9Å; R203-G206 PolarHBondContact O-N 3.46Å; R203-F208 HydrophobicContact CB-CD2 4.18Å; R203-F208 HydrophobicContact CB-CE2 4.35Å; R203-L234 HydrophobicContact CB-CD1 4.11Å
204D96.4Very high97Very high106 Ų10642.3 Ų42.357%0.56724%0.241SC*.Hα-helixtrans-70-30-172.6-66.2-12.4000112.3I200 A201 G206I200-D204 WeakPolarHBondContact O-CB 3.5Å; I200-D204 VanDerWaalsContact O-CG 3.22Å; I200-D204 PolarHBondContact O-N 2.55Å; A201-D204 PolarHBondContact O-N 2.91Å; D204-G206 VanDerWaalsContact C-N 3.26Å; D204-G206 PolarHBondContact O-N 2.87Å
205S95Very high97Very high83 Ų8339 Ų3958%0.5823%0.226SC*.THydrogen-bonded Turntrans-81.7-0.1172.676.60000114A201 A202 R203 T207A201-S205 WeakPolarHBondContact O-CB 3.29Å; A201-S205 PolarHBondContact O-N 2.73Å; A201-S205 PolarHBondContact O-OG 2.77Å; A202-S205 PolarHBondContact O-OG 3.29Å; R203-S205 VanDerWaalsContact C-N 3.32Å; R203-S205 PolarHBondContact O-N 2.9Å; S205-T207 VanDerWaalsContact C-N 3.28Å; S205-T207 PolarHBondContact O-N 3.47Å; S205-T207 PolarHBondContact OG-OG1 3.02Å
206G94Very high96.9Very high29 Ų2945.4 Ų45.430%0.29926%0.256SS..THydrogen-bonded Turntrans7313.5-177.100000114.9A202 R203 D204 F208 S209A202-G206 PolarHBondContact O-N 3.17Å; R203-G206 PolarHBondContact O-N 3.46Å; D204-G206 VanDerWaalsContact C-N 3.26Å; D204-G206 PolarHBondContact O-N 2.87Å; G206-F208 PolarHBondContact O-N 3.08Å; G206-F208 VanDerWaalsContact O-N 3.17Å; G206-S209 VanDerWaalsContact O-CB 3.29Å; G206-S209 WeakPolarHBondContact O-CB 3.34Å; G206-S209 PolarHBondContact O-N 2.99Å; G206-S209 PolarHBondContact O-OG 2.74Å
207T94Very high96.8Very high14 Ų1445.6 Ų45.69%0.08626%0.257CS..THydrogen-bonded Turntrans-56.5-32-179.6-62.50000112.2A202 S205A202-T207 HydrophobicContact CB-CG2 4.23Å; A202-T207 WeakPolarHBondContact O-CA 3.44Å; A202-T207 WeakPolarHBondContact O-CB 3.31Å; A202-T207 PolarHBondContact O-N 2.79Å; S205-T207 VanDerWaalsContact C-N 3.28Å; S205-T207 PolarHBondContact O-N 3.47Å; S205-T207 PolarHBondContact OG-OG1 3.02Å
208F96.8Very high96.5Very high7 Ų745.6 Ų45.63%0.03127%0.268CS..THydrogen-bonded Turntrans-84.7-9.2179.2-60.7-47.4000115A199 A202 R203 G206 W210 E211 I212 L234 S354 L360 T374A199-F208 WeakPolarHBondContact O-CE2 3.35Å; A202-F208 HydrophobicContact CB-CD2 4.38Å; A202-F208 HydrophobicContact CB-CE1 4.2Å; A202-F208 HydrophobicContact CB-CE2 3.76Å; A202-F208 HydrophobicContact CB-CZ 3.66Å; R203-F208 HydrophobicContact CB-CD2 4.18Å; R203-F208 HydrophobicContact CB-CE2 4.35Å; G206-F208 PolarHBondContact O-N 3.08Å; G206-F208 VanDerWaalsContact O-N 3.17Å; F208-W210 PolarHBondContact O-N 3.31Å; F208-E211 HydrophobicContact CB-CG 4.3Å; F208-E211 HydrophobicContact CD1-CG 4.4Å; F208-E211 WeakPolarHBondContact CD1-OE1 3.13Å; F208-E211 WeakPolarHBondContact O-CG 3.28Å; F208-E211 PolarHBondContact O-N 3.17Å; F208-E211 VanDerWaalsContact O-N 3.12Å; F208-I212 HydrophobicContact CB-CD1 3.77Å; F208-I212 HydrophobicContact CB-CG1 4.2Å; F208-I212 PolarHBondContact O-N 3.18Å; F208-L234 HydrophobicContact CE2-CD1 4.33Å; F208-S354 WeakPolarHBondContact CZ-O 3.38Å; F208-L360 HydrophobicContact CE2-CD2 4.04Å; F208-L360 HydrophobicContact CZ-CD1 4.19Å; F208-L360 HydrophobicContact CZ-CD2 3.91Å; F208-T374 HydrophobicContact CE1-CG2 4.29Å
209S95.1Very high96.1Very high91 Ų9145.3 Ų45.364%0.63627%0.274SS*.THydrogen-bonded Turntrans-61.6-32.4-173.4620000113.3G206 E211G206-S209 VanDerWaalsContact O-CB 3.29Å; G206-S209 WeakPolarHBondContact O-CB 3.34Å; G206-S209 PolarHBondContact O-N 2.99Å; G206-S209 PolarHBondContact O-OG 2.74Å; S209-E211 VanDerWaalsContact C-N 3.33Å
210W95.3Very high95.6Very high37 Ų3747.1 Ų47.114%0.1429%0.293CS..THydrogen-bonded Turntrans-73.4-25.5-179.789.1-73.3000113V22 R53 F208 I286 V373 L376V22-W210 HydrophobicContact CG2-CE3 4.01Å; V22-W210 HydrophobicContact CG2-CH2 3.26Å; V22-W210 HydrophobicContact CG2-CZ2 4.08Å; V22-W210 HydrophobicContact CG2-CZ3 3.2Å; R53-W210 PolarHBondContact NH1-O 3.2Å; F208-W210 PolarHBondContact O-N 3.31Å; W210-I286 HydrophobicContact CZ3-CD1 4.4Å; W210-V373 WeakPolarHBondContact CZ2-O 3.35Å; W210-L376 HydrophobicContact CH2-CB 3.64Å; W210-L376 HydrophobicContact CH2-CD1 4.47Å; W210-L376 HydrophobicContact CZ2-CB 3.8Å
211E97.9Very high95.1Very high0 Ų057.7 Ų57.70%033%0.331CS..THydrogen-bonded Turntrans-100.3-35.2-174.256.9-174.3-123.500112.9A23 R24 R53 F208 S209 A213 V373 T374A23-E211 CarbonylContact C-O 3.49Å; A23-E211 WeakPolarHBondContact CA-O 3.36Å; R24-E211 HydrophobicContact CG-CB 4.3Å; R24-E211 HydrophobicContact CG-CG 4.41Å; R24-E211 IonicContact CZ-OE1 3.93Å; R24-E211 PolarHBondContact N-O 3.49Å; R24-E211 IonicContact NE-OE1 2.85Å; R24-E211 PolarHBondContact NE-OE1 3.42Å; R24-E211 IonicContact NH2-OE1 3.04Å; R24-E211 PolarHBondContact NH2-OE1 2.97Å; R24-E211 VanDerWaalsContact NH2-OE1 3.17Å; R53-E211 VanDerWaalsContact NH1-C 3.33Å; R53-E211 PolarHBondContact NH1-O 3.04Å; F208-E211 HydrophobicContact CB-CG 4.3Å; F208-E211 HydrophobicContact CD1-CG 4.4Å; F208-E211 WeakPolarHBondContact CD1-OE1 3.13Å; F208-E211 WeakPolarHBondContact O-CG 3.28Å; F208-E211 PolarHBondContact O-N 3.17Å; F208-E211 VanDerWaalsContact O-N 3.12Å; S209-E211 VanDerWaalsContact C-N 3.33Å; E211-A213 PolarHBondContact O-N 3Å; E211-V373 HydrophobicContact CB-CG1 3.46Å; E211-V373 VanDerWaalsContact CB-CG1 3.46Å; E211-V373 HydrophobicContact CG-CG1 4.44Å; E211-T374 PolarHBondContact OE1-OG1 3.32Å; E211-T374 VanDerWaalsContact OE1-OG1 3.12Å; E211-T374 WeakPolarHBondContact OE2-CA 3.31Å
212I98.6Very high94.7Very high17 Ų1759 Ų599%0.08735%0.35CS..BIsolated β-bridgetrans-73.6126.3-177.6-66.3177.4000111.3R24 P26 R53 F208 D229R24-I212 VanDerWaalsContact CZ-CG1 3.49Å; R24-I212 CarbonylContact O-C 3.53Å; R24-I212 VanDerWaalsContact O-CA 3.31Å; R24-I212 WeakPolarHBondContact O-CA 3.19Å; P26-I212 HydrophobicContact CG-CG2 3.78Å; R53-I212 PolarHBondContact NH2-O 2.84Å; F208-I212 HydrophobicContact CB-CD1 3.77Å; F208-I212 HydrophobicContact CB-CG1 4.2Å; F208-I212 PolarHBondContact O-N 3.18Å; I212-D229 WeakPolarHBondContact CG2-O 3.45Å
213A98.6Very high94.4Very high5 Ų565.7 Ų65.74%0.04138%0.378CS..PPolyproline II helixtrans-99.8116.3166.500000108.5A23 R24 P26 V45 A49 E211A23-A213 HydrophobicContact CB-CB 4.31Å; R24-A213 PolarHBondContact O-N 3.4Å; P26-A213 WeakPolarHBondContact CD-O 3.46Å; V45-A213 HydrophobicContact CG1-CB 4.23Å; A49-A213 HydrophobicContact CB-CB 3.4Å; E211-A213 PolarHBondContact O-N 3Å
214P98.2Very high94.2Very high75 Ų7566.9 Ų66.949%0.48740%0.396SS..PPolyproline II helixtrans-56.5143178.3-25.634.5000112.3I227 V228 D229P214-I227 HydrophobicContact CB-CG2 3.85Å; P214-V228 WeakPolarHBondContact CA-O 3.5Å; P214-D229 HydrophobicContact CB-CB 4.13Å; P214-D229 HydrophobicContact CG-CB 4.16Å
215V98.6Very high94.1Very high1 Ų164.8 Ų64.81%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-111.4123.9179.3179.60000109T25 L34 L37 L42 V45 I217 V228T25-V215 HydrophobicContact CG2-CG2 3.74Å; L34-V215 HydrophobicContact CD2-CB 4.13Å; L34-V215 HydrophobicContact CD2-CG1 4.06Å; L34-V215 HydrophobicContact CD2-CG2 4.33Å; L37-V215 HydrophobicContact CD1-CG1 3.31Å; L42-V215 HydrophobicContact CD2-CG1 4.37Å; V45-V215 HydrophobicContact CG1-CG2 4.15Å; V215-I217 HydrophobicContact CG1-CG1 4.32Å; V215-V228 PolarHBondContact N-O 3.25Å; V215-V228 PolarHBondContact O-N 2.93Å
216E97Very high94.1Very high137 Ų13765.5 Ų65.564%0.6439%0.385SS*.EExtended strand (participates in β ladder)trans-87.4128.9174.3-51.1-165.5161.400110.5P225 I227E216-P225 HydrophobicContact CB-CB 4.25Å; E216-I227 HydrophobicContact CB-CD1 4.21Å; E216-I227 HydrophobicContact CG-CD1 3.62Å
217I95.2Very high94.3Very high15 Ų1567.7 Ų67.78%0.07739%0.389CS..EExtended strand (participates in β ladder)trans-117.2129.7178.1-58.6-176.9000108.7S33 L34 S36 L37 V215 S219 P225 L226 V228S33-I217 WeakPolarHBondContact O-CD1 3.41Å; L34-I217 HydrophobicContact CD2-CD1 4.29Å; S36-I217 WeakPolarHBondContact OG-CG2 3.45Å; L37-I217 HydrophobicContact CD1-CG1 4.17Å; V215-I217 HydrophobicContact CG1-CG1 4.32Å; I217-S219 PolarHBondContact O-N 3.22Å; I217-P225 CarbonylContact O-C 3.44Å; I217-P225 VanDerWaalsContact O-CA 3.27Å; I217-P225 WeakPolarHBondContact O-CA 3.06Å; I217-P225 WeakPolarHBondContact O-CB 3.28Å; I217-L226 HydrophobicContact CB-CB 4.37Å; I217-L226 PolarHBondContact N-O 3.47Å; I217-L226 PolarHBondContact O-N 2.7Å; I217-V228 HydrophobicContact CD1-CG2 3.56Å; I217-V228 HydrophobicContact CG1-CG2 4.26Å
218S92.1Very high94.5Very high104 Ų10467.7 Ų67.773%0.72739%0.389SS*.  trans-64121.9176.7-173.50000110.4G220S218-G220 PolarHBondContact O-N 3.16Å; S218-G220 PolarHBondContact OG-N 3Å
219S89.1Confident94.5Very high48 Ų4871 Ų7134%0.33641%0.407SS..  trans-86.712.8174.3-57.80000112.5I217 P224 L226I217-S219 PolarHBondContact O-N 3.22Å; S219-P224 VanDerWaalsContact CB-O 3.27Å; S219-P224 WeakPolarHBondContact CB-O 3.39Å; S219-P224 PolarHBondContact OG-O 3.25Å; S219-L226 PolarHBondContact OG-N 3.33Å
220G87.7Confident94.6Very high39 Ų3972.9 Ų72.940%0.40240%0.404SS..SBendtrans87.7175.3-17100000113.5S218 G222 K223S218-G220 PolarHBondContact O-N 3.16Å; S218-G220 PolarHBondContact OG-N 3Å; G220-G222 PolarHBondContact O-N 3.25Å; G220-K223 PolarHBondContact O-N 2.95Å
221R86.5Confident94.7Very high259 Ų25971.5 Ų71.598%0.97740%0.399SS*.THydrogen-bonded Turntrans-61.5124.2-172.2-169175.7-178.5170.60.2111.4K223R221-K223 PolarHBondContact O-N 3.12Å
222G88.8Confident94.6Very high84 Ų8473.2 Ų73.287%0.86641%0.407SS*.THydrogen-bonded Turntrans84.5-3.4173.200000116G220G220-G222 PolarHBondContact O-N 3.25Å
223K92.2Very high94.4Very high146 Ų14673.8 Ų73.864%0.63541%0.412SS*.SBendtrans-96.8145.4174.2-65.9-174.9-174.2174.40110.4G220 R221G220-K223 PolarHBondContact O-N 2.95Å; R221-K223 PolarHBondContact O-N 3.12Å
224P92.1Very high94.3Very high107 Ų10773.7 Ų73.770%0.69541%0.411SS*.PPolyproline II helixtrans-58.9145.3171.525.8-33.6000110.2S219S219-P224 VanDerWaalsContact CB-O 3.27Å; S219-P224 WeakPolarHBondContact CB-O 3.39Å; S219-P224 PolarHBondContact OG-O 3.25Å
225P93.5Very high94Very high62 Ų6274.2 Ų74.240%0.40342%0.422SS..PPolyproline II helixtrans-61.5142.2176.827-33.5000110.1E216 I217 I227E216-P225 HydrophobicContact CB-CB 4.25Å; I217-P225 CarbonylContact O-C 3.44Å; I217-P225 VanDerWaalsContact O-CA 3.27Å; I217-P225 WeakPolarHBondContact O-CA 3.06Å; I217-P225 WeakPolarHBondContact O-CB 3.28Å; P225-I227 HydrophobicContact CG-CD1 4.44Å
226L95.4Very high93.4Very high98 Ų9881.4 Ų81.451%0.51345%0.453SS..EExtended strand (participates in β ladder)trans-73.5126167.9175.167.4000108I217 S219 V228I217-L226 HydrophobicContact CB-CB 4.37Å; I217-L226 PolarHBondContact N-O 3.47Å; I217-L226 PolarHBondContact O-N 2.7Å; S219-L226 PolarHBondContact OG-N 3.33Å; L226-V228 HydrophobicContact CD2-CG2 4.31Å; L226-V228 HydrophobicContact CG-CG2 4.33Å
227I97.5Very high93.3Very high76 Ų7677.4 Ų77.439%0.3943%0.434SS..EExtended strand (participates in β ladder)trans-95118.6174.9-52.7-59.8000108.5P214 E216 P225 D229P214-I227 HydrophobicContact CB-CG2 3.85Å; E216-I227 HydrophobicContact CB-CD1 4.21Å; E216-I227 HydrophobicContact CG-CD1 3.62Å; P225-I227 HydrophobicContact CG-CD1 4.44Å; I227-D229 HydrophobicContact CG2-CB 4.44Å
228V97.8Very high93.4Very high14 Ų1480.8 Ų80.89%0.08545%0.452CS..EExtended strand (participates in β ladder)trans-101.7115.1171.6-173.70000107.9P26 L34 P214 V215 I217 L226P26-V228 HydrophobicContact CB-CG1 4.23Å; P26-V228 HydrophobicContact CG-CG1 4.14Å; P26-V228 VanDerWaalsContact CG-O 3.32Å; P26-V228 WeakPolarHBondContact CG-O 3.33Å; L34-V228 HydrophobicContact CD2-CB 4.19Å; L34-V228 HydrophobicContact CD2-CG1 4.06Å; L34-V228 HydrophobicContact CD2-CG2 4.48Å; P214-V228 WeakPolarHBondContact CA-O 3.5Å; V215-V228 PolarHBondContact N-O 3.25Å; V215-V228 PolarHBondContact O-N 2.93Å; I217-V228 HydrophobicContact CD1-CG2 3.56Å; I217-V228 HydrophobicContact CG1-CG2 4.26Å; L226-V228 HydrophobicContact CD2-CG2 4.31Å; L226-V228 HydrophobicContact CG-CG2 4.33Å
229D97.3Very high93.6Very high75 Ų7578.2 Ų78.240%0.40143%0.434SS..  trans-132.47.9-174.368.9-13.6000113.6I212 P214 I227I212-D229 WeakPolarHBondContact CG2-O 3.45Å; P214-D229 HydrophobicContact CB-CB 4.13Å; P214-D229 HydrophobicContact CG-CB 4.16Å; I227-D229 HydrophobicContact CG2-CB 4.44Å
230K96.9Very high94Very high132 Ų13278.5 Ų78.557%0.57444%0.44SS*.SBendtrans-136.7143.6-176.2-71.1167.6-167.7178.40111.2P26 E232P26-K230 WeakPolarHBondContact CB-O 3.26Å; K230-E232 PolarHBondContact O-N 3.03Å
231D97.9Very high94.4Very high8 Ų883.4 Ų83.44%0.04345%0.45CS..  trans-64.1125.2172.5-59.5-50.9000110R24 P26 I27 L234 L360R24-D231 IonicContact CZ-OD1 2.67Å; R24-D231 IonicContact CZ-OD2 3.3Å; R24-D231 IonicContact NH1-OD1 3.71Å; R24-D231 PolarHBondContact NH1-OD1 3.38Å; R24-D231 IonicContact NH1-OD2 3.97Å; R24-D231 PolarHBondContact NH1-OD2 3.25Å; R24-D231 IonicContact NH2-OD1 3.64Å; R24-D231 IonicContact NH2-OD2 3.17Å; R24-D231 PolarHBondContact NH2-OD2 3.39Å; P26-D231 WeakPolarHBondContact CA-OD1 3.32Å; I27-D231 PolarHBondContact N-OD1 3.15Å; D231-L234 HydrophobicContact CB-CD1 4.34Å; D231-L234 HydrophobicContact CB-CG 4.41Å; D231-L360 HydrophobicContact CB-CD2 4.26Å
232E96.4Very high94.9Very high36 Ų3671.6 Ų71.617%0.16841%0.406CS..SBendtrans-72-37.3-163.9-170.7-175.2149.100113.4I27 A29 S33 K230 L234 A235 K236I27-E232 PolarHBondContact O-N 3.27Å; A29-E232 HydrophobicContact CB-CG 4.45Å; A29-E232 PolarHBondContact N-OE2 3.1Å; A29-E232 VanDerWaalsContact N-OE2 3.08Å; S33-E232 VanDerWaalsContact CB-OE2 3.29Å; S33-E232 WeakPolarHBondContact CB-OE2 3.5Å; S33-E232 PolarHBondContact N-OE2 3.41Å; S33-E232 PolarHBondContact OG-OE2 3.24Å; K230-E232 PolarHBondContact O-N 3.03Å; E232-L234 VanDerWaalsContact C-N 3.28Å; E232-L234 PolarHBondContact O-N 3.36Å; E232-A235 PolarHBondContact O-N 3.07Å; E232-K236 IonicContact OE1-NZ 2.67Å; E232-K236 PolarHBondContact OE1-NZ 3.44Å
233S93.7Very high95.3Very high28 Ų2873.3 Ų73.320%0.19639%0.386CS..G310 helixtrans-61.2-34.1-173.450.20000113.1A235 K236 S359S233-A235 VanDerWaalsContact C-N 3.26Å; S233-A235 PolarHBondContact O-N 2.91Å; S233-K236 PolarHBondContact O-N 2.73Å; S233-K236 VanDerWaalsContact O-N 3.13Å; S233-S359 VanDerWaalsContact CB-O 3.3Å; S233-S359 WeakPolarHBondContact CB-O 3.28Å; S233-S359 PolarHBondContact OG-O 3.18Å
234L95.6Very high95.6Very high4 Ų475 Ų752%0.02139%0.393CS..G310 helixtrans-66.1-26.3-172.7-57.6-174.6000113.6A199 I200 R203 F208 D231 E232 K236 S359 L360A199-L234 HydrophobicContact CB-CD1 4.08Å; A199-L234 HydrophobicContact CB-CD2 3.48Å; A199-L234 VanDerWaalsContact CB-CD2 3.48Å; A199-L234 HydrophobicContact CB-CG 4.44Å; I200-L234 HydrophobicContact CG1-CB 4.33Å; R203-L234 HydrophobicContact CB-CD1 4.11Å; F208-L234 HydrophobicContact CE2-CD1 4.33Å; D231-L234 HydrophobicContact CB-CD1 4.34Å; D231-L234 HydrophobicContact CB-CG 4.41Å; E232-L234 VanDerWaalsContact C-N 3.28Å; E232-L234 PolarHBondContact O-N 3.36Å; L234-K236 VanDerWaalsContact C-N 3.29Å; L234-K236 PolarHBondContact O-N 3.39Å; L234-S359 WeakPolarHBondContact CD2-O 3.37Å; L234-L360 HydrophobicContact CD1-CD2 3.96Å; L234-L360 HydrophobicContact CD2-CD2 4.18Å; L234-L360 HydrophobicContact CG-CD2 4.3Å
235A91.9Very high95.8Very high86 Ų8672.3 Ų72.371%0.71137%0.373SS*.G310 helixtrans-74.2-20.8178.900000113.1E232 S233E232-A235 PolarHBondContact O-N 3.07Å; S233-A235 VanDerWaalsContact C-N 3.26Å; S233-A235 PolarHBondContact O-N 2.91Å
236K87.9Confident96Very high151 Ų15171.7 Ų71.766%0.65738%0.378SS*.G310 helixtrans-105.24.5-172.1-64.3172.2-178.9165.80113.1E232 S233 L234 N238E232-K236 IonicContact OE1-NZ 2.67Å; E232-K236 PolarHBondContact OE1-NZ 3.44Å; S233-K236 PolarHBondContact O-N 2.73Å; S233-K236 VanDerWaalsContact O-N 3.13Å; L234-K236 VanDerWaalsContact C-N 3.29Å; L234-K236 PolarHBondContact O-N 3.39Å; K236-N238 PolarHBondContact O-N 3.02Å
237F95Very high96.1Very high54 Ų5470 Ų7024%0.23737%0.373CS..  trans-63.6133.2-175175.6-117.2000112.3I193 N196 E197 I200 L242I193-F237 HydrophobicContact CB-CZ 4.33Å; I193-F237 HydrophobicContact CG1-CZ 4.16Å; I193-F237 HydrophobicContact CG2-CZ 4.19Å; N196-F237 HydrophobicContact CB-CD1 3.95Å; N196-F237 HydrophobicContact CB-CD2 3.47Å; N196-F237 VanDerWaalsContact CB-CD2 3.47Å; N196-F237 HydrophobicContact CB-CE1 3.88Å; N196-F237 HydrophobicContact CB-CE2 3.41Å; N196-F237 VanDerWaalsContact CB-CE2 3.41Å; N196-F237 HydrophobicContact CB-CG 3.74Å; N196-F237 HydrophobicContact CB-CZ 3.62Å; N196-F237 WeakPolarHBondContact OD1-CD2 3.24Å; E197-F237 HydrophobicContact CG-CE1 4.44Å; I200-F237 HydrophobicContact CD1-CB 4.06Å; I200-F237 HydrophobicContact CD1-CD1 3.65Å; I200-F237 HydrophobicContact CD1-CG 4.18Å; F237-L242 HydrophobicContact CE2-CD1 4.1Å
238N96.3Very high96.1Very high85 Ų8569.8 Ų69.846%0.45538%0.375SS..  trans-146.4107.1174.6-176.8-42.2000109.8K236 A240 K241 L242K236-N238 PolarHBondContact O-N 3.02Å; N238-A240 PolarHBondContact O-N 3.3Å; N238-A240 WeakPolarHBondContact OD1-CB 3.38Å; N238-A240 PolarHBondContact OD1-N 2.9Å; N238-A240 VanDerWaalsContact OD1-N 3.09Å; N238-K241 HydrophobicContact CB-CB 3.96Å; N238-K241 PolarHBondContact O-N 3.37Å; N238-K241 PolarHBondContact OD1-N 2.95Å; N238-L242 PolarHBondContact O-N 3.32Å
239S96.2Very high96.1Very high50 Ų5072.2 Ų72.235%0.3539%0.385SS..Hα-helixtrans-63.1-38.3-177.459.30000113.1K241 L242 R243S239-K241 VanDerWaalsContact C-N 3.34Å; S239-K241 PolarHBondContact O-N 2.94Å; S239-L242 WeakPolarHBondContact O-CB 3.16Å; S239-L242 PolarHBondContact O-N 3.04Å; S239-R243 PolarHBondContact O-N 2.94Å
240A97Very high95.9Very high55 Ų5573 Ų7346%0.45538%0.384SS..Hα-helixtrans-66.7-36.2178.100000112.1N238 K244N238-A240 PolarHBondContact O-N 3.3Å; N238-A240 WeakPolarHBondContact OD1-CB 3.38Å; N238-A240 PolarHBondContact OD1-N 2.9Å; N238-A240 VanDerWaalsContact OD1-N 3.09Å; A240-K244 WeakPolarHBondContact O-CG 3.36Å
241K96.9Very high95.8Very high142 Ų14275.5 Ų75.562%0.61740%0.395SS*.Hα-helixtrans-68.8-44.1174.1-174.5179178.2-1780111.1N238 S239 R243 K244 L245N238-K241 HydrophobicContact CB-CB 3.96Å; N238-K241 PolarHBondContact O-N 3.37Å; N238-K241 PolarHBondContact OD1-N 2.95Å; S239-K241 VanDerWaalsContact C-N 3.34Å; S239-K241 PolarHBondContact O-N 2.94Å; K241-R243 VanDerWaalsContact C-N 3.32Å; K241-R243 PolarHBondContact O-N 3.48Å; K241-K244 PolarHBondContact O-N 3.01Å; K241-L245 PolarHBondContact O-N 3.03Å
242L97.1Very high95.6Very high10 Ų1082.1 Ų82.15%0.05243%0.431CS..Hα-helixtrans-53.1-49.1179.3-174.1157.3000111.4R185 D189 A192 I193 F237 N238 S239 K244 L245 G258R185-L242 PolarHBondContact NH2-O 2.9Å; D189-L242 HydrophobicContact CB-CD2 3.69Å; A192-L242 HydrophobicContact CB-CD1 3.87Å; A192-L242 HydrophobicContact CB-CD2 4.44Å; I193-L242 HydrophobicContact CD1-CD2 4.39Å; I193-L242 HydrophobicContact CG1-CD1 4.11Å; I193-L242 HydrophobicContact CG1-CD2 4.25Å; F237-L242 HydrophobicContact CE2-CD1 4.1Å; N238-L242 PolarHBondContact O-N 3.32Å; S239-L242 WeakPolarHBondContact O-CB 3.16Å; S239-L242 PolarHBondContact O-N 3.04Å; L242-K244 PolarHBondContact O-N 2.97Å; L242-L245 WeakPolarHBondContact O-CB 3.31Å; L242-L245 PolarHBondContact O-N 2.77Å; L242-G258 VanDerWaalsContact CD1-O 3.28Å; L242-G258 WeakPolarHBondContact CD1-O 3.25Å
243R97.2Very high95.6Very high121 Ų12180.9 Ų80.946%0.45743%0.428SS..Hα-helixtrans-62.9-24.1179.5-66.3-174.8-175.4-71.33.4114.4R185 I193 S239 K241R185-R243 PolarHBondContact NH2-O 2.8Å; I193-R243 HydrophobicContact CD1-CG 4.15Å; S239-R243 PolarHBondContact O-N 2.94Å; K241-R243 VanDerWaalsContact C-N 3.32Å; K241-R243 PolarHBondContact O-N 3.48Å
244K97.6Very high95.8Very high180 Ų18080.2 Ų80.278%0.78342%0.423SS*.THydrogen-bonded Turntrans-89.3-5.2-178.8-68.9178.3-179-176.10113.6A240 K241 L242A240-K244 WeakPolarHBondContact O-CG 3.36Å; K241-K244 PolarHBondContact O-N 3.01Å; L242-K244 PolarHBondContact O-N 2.97Å
245L97.4Very high96Very high52 Ų5280 Ų8027%0.27242%0.422SS..PPolyproline II helixtrans-67.6138.4-178.4-66.3172.3000111.2R185 K241 L242 T256 A257 G258R185-L245 PolarHBondContact NH1-O 2.86Å; R185-L245 PolarHBondContact NH2-O 2.77Å; K241-L245 PolarHBondContact O-N 3.03Å; L242-L245 WeakPolarHBondContact O-CB 3.31Å; L242-L245 PolarHBondContact O-N 2.77Å; L245-T256 HydrophobicContact CB-CG2 4.31Å; L245-A257 HydrophobicContact CD1-CB 4.48Å; L245-G258 VanDerWaalsContact CD1-CA 3.49Å; L245-G258 VanDerWaalsContact CD1-N 3.26Å
246G97.3Very high96.3Very high49 Ų4976 Ų7651%0.50539%0.388SS..PPolyproline II helixtrans-73.3158.7171.800000112T256G246-T256 WeakPolarHBondContact O-CG2 3.38Å
247P97.9Very high96.7Very high62 Ų6272 Ų7240%0.40338%0.384SS..PPolyproline II helixtrans-56.2142.3172.5-22.333.9000111.5K250 G253 V255P247-K250 VanDerWaalsContact CB-O 3.28Å; P247-K250 WeakPolarHBondContact CB-O 3.48Å; P247-G253 WeakPolarHBondContact CB-O 3.23Å; P247-G253 VanDerWaalsContact CG-O 3.22Å; P247-G253 WeakPolarHBondContact CG-O 3.29Å; P247-V255 WeakPolarHBondContact CA-O 3.43Å
248T97.5Very high96.8Very high71 Ų7170.2 Ų70.244%0.43638%0.38SS..SBendtrans-98.7-36.8-174.3-61.20000113.4V255 T256 A257T248-V255 PolarHBondContact N-O 3.46Å; T248-T256 WeakPolarHBondContact OG1-CA 3.18Å; T248-A257 PolarHBondContact OG1-N 2.94Å
249F96.7Very high96.9Very high65 Ų6566.1 Ų66.129%0.28536%0.359SS..SBendtrans-109.9-30.7-168.4-59.3-74.6000114.3P169 M172 E175 V255 F333P169-F249 HydrophobicContact CB-CD1 4.24Å; P169-F249 HydrophobicContact CB-CE1 4.26Å; P169-F249 HydrophobicContact CG-CD1 3.81Å; P169-F249 HydrophobicContact CG-CE1 4.33Å; M172-F249 HydrophobicContact CG-CB 4.42Å; M172-F249 HydrophobicContact SD-CB 3.96Å; M172-F249 VanDerWaalsContact SD-O 3.39Å; E175-F249 HydrophobicContact CG-CB 4.35Å; F249-V255 HydrophobicContact CD2-CB 4Å; F249-V255 HydrophobicContact CD2-CG1 3.64Å; F249-V255 HydrophobicContact CE2-CB 4.45Å; F249-V255 HydrophobicContact CE2-CG1 3.59Å; F249-F333 AromaticContact CE2-CE1 3.77Å; F249-F333 HydrophobicContact CE2-CE1 3.77Å; F249-F333 HydrophobicContact CZ-CE1 4.04Å
250K94.6Very high97Very high91 Ų9164.2 Ų64.240%0.39635%0.345SS..SBendtrans-136.3144.1-177.5-176.9-176.5170.6-172.20110.3M172 E175 D179 P247 N252 G253M172-K250 HydrophobicContact CE-CB 4.42Å; M172-K250 HydrophobicContact CE-CD 4.45Å; M172-K250 HydrophobicContact SD-CB 4.01Å; E175-K250 HydrophobicContact CG-CB 4.23Å; D179-K250 IonicContact OD2-NZ 2.79Å; D179-K250 PolarHBondContact OD2-NZ 3.09Å; P247-K250 VanDerWaalsContact CB-O 3.28Å; P247-K250 WeakPolarHBondContact CB-O 3.48Å; K250-N252 PolarHBondContact O-N 2.8Å; K250-G253 PolarHBondContact O-N 3.07Å
251K93.8Very high97Very high185 Ų18562.9 Ų62.980%0.80433%0.332SS*.THydrogen-bonded Turntrans-60.7129.1170.1-174.3179.5-179.7-178.60109.1G253K251-G253 PolarHBondContact O-N 2.92Å
252N92.8Very high97Very high148 Ų14858.2 Ų58.279%0.79132%0.318SS*.THydrogen-bonded Turntrans6024.5-172-50.6-26.1000113.8K250K250-N252 PolarHBondContact O-N 2.8Å
253G97.1Very high97Very high10 Ų1060.2 Ų60.210%0.10333%0.328CS..  trans-71.9165.8173.600000113.3E175 P247 K250 K251E175-G253 WeakPolarHBondContact OE1-CA 3.29Å; P247-G253 WeakPolarHBondContact CB-O 3.23Å; P247-G253 VanDerWaalsContact CG-O 3.22Å; P247-G253 WeakPolarHBondContact CG-O 3.29Å; K250-G253 PolarHBondContact O-N 3.07Å; K251-G253 PolarHBondContact O-N 2.92Å
254S98.3Very high97.1Very high14 Ų1454.4 Ų54.410%0.09831%0.306CS..SBendtrans-97.9-21179.6660000112.8E175 A178 R185 Q188 N259E175-S254 PolarHBondContact OE1-N 3.48Å; E175-S254 VanDerWaalsContact OE1-N 3.12Å; E175-S254 PolarHBondContact OE2-N 2.92Å; E175-S254 PolarHBondContact OE2-OG 2.87Å; A178-S254 VanDerWaalsContact CB-OG 3.29Å; A178-S254 WeakPolarHBondContact CB-OG 3.2Å; R185-S254 WeakPolarHBondContact CD-O 3.39Å; Q188-S254 PolarHBondContact NE2-OG 2.91Å; S254-N259 PolarHBondContact O-ND2 2.92Å
255V98.6Very high97.1Very high0 Ų045.9 Ų45.90%027%0.269CS..  trans-87.7128.3-175.9-176.60000109.8A174 E175 P247 T248 F249 N259 S260 F333A174-V255 HydrophobicContact CB-CG2 3.87Å; E175-V255 HydrophobicContact CG-CB 4.28Å; E175-V255 HydrophobicContact CG-CG2 3.98Å; E175-V255 WeakPolarHBondContact OE1-CB 3.38Å; E175-V255 PolarHBondContact OE1-N 2.88Å; E175-V255 PolarHBondContact OE2-N 2.67Å; P247-V255 WeakPolarHBondContact CA-O 3.43Å; T248-V255 PolarHBondContact N-O 3.46Å; F249-V255 HydrophobicContact CD2-CB 4Å; F249-V255 HydrophobicContact CD2-CG1 3.64Å; F249-V255 HydrophobicContact CE2-CB 4.45Å; F249-V255 HydrophobicContact CE2-CG1 3.59Å; V255-N259 WeakPolarHBondContact CA-OD1 3.41Å; V255-S260 VanDerWaalsContact CG1-OG 3.22Å; V255-S260 WeakPolarHBondContact CG1-OG 3.46Å; V255-F333 HydrophobicContact CG1-CD1 3.65Å; V255-F333 HydrophobicContact CG1-CE1 4.05Å
256T98.5Very high97.2Very high0 Ų043.4 Ų43.40%026%0.256CS..  trans-126.7163.1179.4720000111.3R185 L245 G246 T248 G258 N259 S260R185-T256 VanDerWaalsContact NH1-CG2 3.26Å; L245-T256 HydrophobicContact CB-CG2 4.31Å; G246-T256 WeakPolarHBondContact O-CG2 3.38Å; T248-T256 WeakPolarHBondContact OG1-CA 3.18Å; T256-G258 PolarHBondContact O-N 3.24Å; T256-G258 VanDerWaalsContact O-N 3.07Å; T256-G258 PolarHBondContact OG1-N 3.4Å; T256-N259 PolarHBondContact N-OD1 3.32Å; T256-N259 PolarHBondContact O-N 2.88Å; T256-N259 PolarHBondContact O-OD1 3.4Å; T256-N259 VanDerWaalsContact O-OD1 3.07Å; T256-N259 PolarHBondContact OG1-N 3.38Å; T256-N259 PolarHBondContact OG1-ND2 3.44Å; T256-S260 VanDerWaalsContact O-CB 3.3Å; T256-S260 WeakPolarHBondContact O-CB 3.49Å; T256-S260 PolarHBondContact O-N 3.1Å; T256-S260 PolarHBondContact O-OG 3.4Å
257A97Very high97.3Very high69 Ų6941.1 Ų41.157%0.5723%0.233SC*.THydrogen-bonded Turntrans-56.2-23.5171.400000113.7L245 T248L245-A257 HydrophobicContact CD1-CB 4.48Å; T248-A257 PolarHBondContact OG1-N 2.94Å
258G97.2Very high97.3Very high15 Ų1538.2 Ų38.216%0.15521%0.213CC..THydrogen-bonded Turntrans-90-21.3-178.600000114.4L242 L245 T256L242-G258 VanDerWaalsContact CD1-O 3.28Å; L242-G258 WeakPolarHBondContact CD1-O 3.25Å; L245-G258 VanDerWaalsContact CD1-CA 3.49Å; L245-G258 VanDerWaalsContact CD1-N 3.26Å; T256-G258 PolarHBondContact O-N 3.24Å; T256-G258 VanDerWaalsContact O-N 3.07Å; T256-G258 PolarHBondContact OG1-N 3.4Å
259N98.4Very high97.4Very high0 Ų034.8 Ų34.80%019%0.193CC..THydrogen-bonded Turntrans-105.98.1173.768.929.4000112.7Q188 D189 A192 S254 V255 T256 S334Q188-N259 HydrophobicContact CB-CB 4.21Å; D189-N259 PolarHBondContact OD1-ND2 2.88Å; A192-N259 HydrophobicContact CB-CB 3.92Å; S254-N259 PolarHBondContact O-ND2 2.92Å; V255-N259 WeakPolarHBondContact CA-OD1 3.41Å; T256-N259 PolarHBondContact N-OD1 3.32Å; T256-N259 PolarHBondContact O-N 2.88Å; T256-N259 PolarHBondContact O-OD1 3.4Å; T256-N259 VanDerWaalsContact O-OD1 3.07Å; T256-N259 PolarHBondContact OG1-N 3.38Å; T256-N259 PolarHBondContact OG1-ND2 3.44Å; N259-S334 WeakPolarHBondContact O-CB 3.18Å; N259-S334 PolarHBondContact O-N 3.15Å; N259-S334 PolarHBondContact O-OG 3.4Å
260S98.2Very high97.5Very high10 Ų1031.7 Ų31.77%0.0718%0.179CC..BIsolated β-bridgetrans-104.8155.8170.7-54.60000110.4V255 T256 F333V255-S260 VanDerWaalsContact CG1-OG 3.22Å; V255-S260 WeakPolarHBondContact CG1-OG 3.46Å; T256-S260 VanDerWaalsContact O-CB 3.3Å; T256-S260 WeakPolarHBondContact O-CB 3.49Å; T256-S260 PolarHBondContact O-N 3.1Å; T256-S260 PolarHBondContact O-OG 3.4Å; S260-F333 VanDerWaalsContact OG-CD1 3.26Å; S260-F333 WeakPolarHBondContact OG-CD1 3.28Å
261S97.9Very high97.7Very high26 Ų2627.4 Ų27.418%0.18216%0.16CC..PPolyproline II helixtrans-66.5147.716858.70000112.2E331 A332 G357 H362S261-E331 WeakPolarHBondContact CB-O 3.26Å; S261-A332 WeakPolarHBondContact CB-O 3.38Å; S261-A332 PolarHBondContact N-O 3.39Å; S261-A332 PolarHBondContact OG-O 3.41Å; S261-G357 WeakPolarHBondContact CA-O 3.43Å; S261-G357 WeakPolarHBondContact CB-O 3.49Å; S261-H362 VanDerWaalsContact CB-CB 3.45Å; S261-H362 VanDerWaalsContact OG-CB 3.29Å; S261-H362 WeakPolarHBondContact OG-CB 3.22Å
262S95.8Very high98Very high44 Ų4418.6 Ų18.631%0.30812%0.122SC..PPolyproline II helixtrans-78.9146.7174.157.10000111.8S264 G361 H362S262-S264 PolarHBondContact O-N 2.93Å; S262-S264 PolarHBondContact O-OG 3.41Å; S262-S264 PolarHBondContact OG-OG 3.01Å; S262-G361 WeakPolarHBondContact OG-CA 3.3Å; S262-H362 PolarHBondContact O-N 3.41Å; S262-H362 VanDerWaalsContact O-N 3.16Å
263I97.9Very high98.2Very high52 Ų5211.5 Ų11.527%0.2678%0.084SC..PPolyproline II helixtrans-60.5126162.4-65164.9000108L30 M131 M156 L161L30-I263 HydrophobicContact CB-CB 4Å; L30-I263 HydrophobicContact CB-CG2 3.83Å; L30-I263 HydrophobicContact CD1-CG2 3.77Å; L30-I263 HydrophobicContact CD2-CB 4.19Å; L30-I263 HydrophobicContact CD2-CD1 4.03Å; L30-I263 HydrophobicContact CD2-CG2 4.04Å; L30-I263 HydrophobicContact CG-CG2 4.07Å; L30-I263 PolarHBondContact N-O 3.13Å; M131-I263 HydrophobicContact CB-CG2 3.53Å; M131-I263 HydrophobicContact CE-CB 4.45Å; M131-I263 HydrophobicContact CE-CG1 4.28Å; M131-I263 HydrophobicContact CE-CG2 3.88Å; M131-I263 HydrophobicContact CG-CG2 4.29Å; M131-I263 HydrophobicContact SD-CB 4.48Å; M131-I263 HydrophobicContact SD-CG2 3.85Å; M156-I263 HydrophobicContact CE-CD1 3.74Å; M156-I263 HydrophobicContact CE-CG2 4.43Å; M156-I263 HydrophobicContact SD-CB 4.48Å; M156-I263 HydrophobicContact SD-CD1 3.95Å; M156-I263 HydrophobicContact SD-CG1 4.23Å; M156-I263 HydrophobicContact SD-CG2 3.45Å; M156-I263 WeakPolarHBondContact SD-CG2 3.29Å; L161-I263 HydrophobicContact CD1-CD1 4.5Å; L161-I263 HydrophobicContact CD1-CG1 4.42Å
264S98.5Very high98.3Very high0 Ų011 Ų110%08%0.079CC..EExtended strand (participates in β ladder)trans-148.3157.6-164.9-50.90000113.2G28 M131 S262 G361 H362 P363G28-S264 CarbonylContact O-C 3.54Å; G28-S264 WeakPolarHBondContact O-CA 3.47Å; G28-S264 VanDerWaalsContact O-CB 3.29Å; G28-S264 WeakPolarHBondContact O-CB 3.48Å; M131-S264 VanDerWaalsContact CG-O 3.25Å; M131-S264 WeakPolarHBondContact CG-O 3.3Å; S262-S264 PolarHBondContact O-N 2.93Å; S262-S264 PolarHBondContact O-OG 3.41Å; S262-S264 PolarHBondContact OG-OG 3.01Å; S264-G361 VanDerWaalsContact OG-CA 3.26Å; S264-G361 WeakPolarHBondContact OG-CA 3.43Å; S264-H362 PolarHBondContact OG-N 3.13Å; S264-P363 WeakPolarHBondContact O-CA 3.29Å
265D98.8Very high98.3Very high0 Ų010.4 Ų10.40%08%0.075CC..EExtended strand (participates in β ladder)trans-110.3144.3175.2-57-45.2000110.1I27 G28 L34 L42 S130 M131 S132I27-D265 WeakPolarHBondContact CA-O 3.38Å; G28-D265 PolarHBondContact N-O 2.75Å; G28-D265 PolarHBondContact O-N 3.41Å; L34-D265 HydrophobicContact CB-CB 3.92Å; L34-D265 HydrophobicContact CD1-CB 4.4Å; L42-D265 HydrophobicContact CD1-CB 4.25Å; S130-D265 WeakPolarHBondContact CA-OD1 3.26Å; S130-D265 PolarHBondContact OG-OD1 3.38Å; M131-D265 PolarHBondContact N-OD1 2.89Å; S132-D265 WeakPolarHBondContact CB-OD2 3.29Å; S132-D265 PolarHBondContact N-OD1 2.71Å; S132-D265 VanDerWaalsContact OG-CG 3.29Å; S132-D265 PolarHBondContact OG-OD1 2.91Å; S132-D265 PolarHBondContact OG-OD2 3.41Å
266G98.8Very high98.2Very high1 Ų115.8 Ų15.81%0.0110%0.1CC..EExtended strand (participates in β ladder)trans165.9168.9173.700000114.3T25 M128 E129 C366T25-G266 VanDerWaalsContact OG1-CA 3.32Å; T25-G266 WeakPolarHBondContact OG1-CA 3.29Å; M128-G266 WeakPolarHBondContact CA-O 3.46Å; E129-G266 PolarHBondContact N-O 2.87Å; E129-G266 PolarHBondContact O-N 2.91Å; G266-C366 WeakPolarHBondContact O-CB 3.42Å
267A98.9Very high98.1Very high1 Ų118.9 Ų18.91%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-140.9154.6176.100000112.1R24 T25 L42 A46 G127 M128 C366R24-A267 CarbonylContact C-O 3.52Å; R24-A267 WeakPolarHBondContact CA-O 3.41Å; R24-A267 WeakPolarHBondContact CB-O 3.39Å; T25-A267 HydrophobicContact CG2-CB 4.21Å; T25-A267 PolarHBondContact N-O 3.15Å; T25-A267 PolarHBondContact OG1-N 2.86Å; T25-A267 PolarHBondContact OG1-O 2.89Å; L42-A267 HydrophobicContact CB-CB 3.83Å; L42-A267 WeakPolarHBondContact O-CB 3.38Å; A46-A267 HydrophobicContact CB-CB 4Å; G127-A267 CarbonylContact O-C 3.44Å; G127-A267 VanDerWaalsContact O-CA 3.26Å; G127-A267 WeakPolarHBondContact O-CA 3.44Å; M128-A267 HydrophobicContact CB-CB 3.68Å; A267-C366 WeakPolarHBondContact CA-SG 3.46Å
268A98.9Very high98.1Very high0 Ų015.7 Ų15.70%09%0.087CC..EExtended strand (participates in β ladder)trans-142.1142.5173.600000109.9A23 R24 G126 G127 C366 A369 R370 V373A23-A268 CarbonylContact O-C 3.51Å; A23-A268 VanDerWaalsContact O-CA 3.3Å; A23-A268 WeakPolarHBondContact O-CA 3.45Å; R24-A268 HydrophobicContact CB-CB 3.83Å; G126-A268 CarbonylContact C-O 3.46Å; G126-A268 VanDerWaalsContact CA-O 3.23Å; G126-A268 WeakPolarHBondContact CA-O 3.23Å; G127-A268 PolarHBondContact N-O 3.13Å; G127-A268 PolarHBondContact O-N 2.9Å; A268-C366 PolarHBondContact N-SG 3.2Å; A268-C366 VanDerWaalsContact N-SG 3.41Å; A268-A369 HydrophobicContact CB-CB 3.98Å; A268-R370 HydrophobicContact CB-CB 4.34Å; A268-V373 HydrophobicContact CB-CG2 4.41Å
269A98.9Very high98Very high0 Ų019.6 Ų19.60%010%0.1CC..EExtended strand (participates in β ladder)trans-137.6148.2179.900000111.1V22 A23 A46 I47 A50 V124 A125V22-A269 WeakPolarHBondContact CA-O 3.25Å; A23-A269 PolarHBondContact N-O 3.46Å; A23-A269 PolarHBondContact O-N 3.29Å; A46-A269 HydrophobicContact CB-CB 3.91Å; I47-A269 HydrophobicContact CG1-CB 3.96Å; A50-A269 HydrophobicContact CB-CB 4.05Å; V124-A269 HydrophobicContact CG1-CB 4.5Å; A125-A269 CarbonylContact O-C 3.54Å; A125-A269 WeakPolarHBondContact O-CA 3.48Å
270I98.9Very high97.9Very high0 Ų023.4 Ų23.40%013%0.127CC..EExtended strand (participates in β ladder)trans-135.8128.3-176.4-55.9-174.9000107.2I19 G21 V22 V108 A125 L272 I372 V373I19-I270 HydrophobicContact CB-CG2 4.41Å; I19-I270 HydrophobicContact CD1-CG2 4.31Å; I19-I270 HydrophobicContact CG1-CG2 4Å; I19-I270 HydrophobicContact CG2-CG2 3.74Å; G21-I270 WeakPolarHBondContact O-CA 3.21Å; V22-I270 HydrophobicContact CG1-CB 4.41Å; V22-I270 HydrophobicContact CG1-CG1 4.09Å; V22-I270 HydrophobicContact CG1-CG2 4.11Å; V108-I270 HydrophobicContact CG2-CD1 3.97Å; A125-I270 PolarHBondContact N-O 3.49Å; A125-I270 PolarHBondContact O-N 2.95Å; I270-L272 HydrophobicContact CG2-CD2 3.62Å; I270-L272 HydrophobicContact CG2-CG 4.31Å; I270-I372 HydrophobicContact CD1-CB 3.96Å; I270-I372 HydrophobicContact CD1-CD1 4.36Å; I270-I372 HydrophobicContact CD1-CG2 3.59Å; I270-V373 HydrophobicContact CD1-CG2 4.28Å; I270-V373 HydrophobicContact CG1-CG2 4.1Å
271V98.9Very high97.8Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-94.2116173.8-173.70000108.1V20 G21 A50 L51 A54 V56 V124 V273V20-V271 HydrophobicContact CG2-CB 3.9Å; V20-V271 HydrophobicContact CG2-CG1 3.66Å; V20-V271 WeakPolarHBondContact CG2-O 3.17Å; V20-V271 PolarHBondContact N-O 3.13Å; G21-V271 PolarHBondContact O-N 2.92Å; A50-V271 HydrophobicContact CB-CG2 3.92Å; L51-V271 HydrophobicContact CD2-CG1 4.17Å; L51-V271 HydrophobicContact CD2-CG2 3.84Å; L51-V271 HydrophobicContact CG-CG2 4.17Å; A54-V271 HydrophobicContact CB-CB 4.18Å; A54-V271 HydrophobicContact CB-CG1 4.27Å; A54-V271 HydrophobicContact CB-CG2 4.14Å; V56-V271 HydrophobicContact CG2-CG1 4.38Å; V124-V271 HydrophobicContact CG2-CG2 4.42Å; V271-V273 HydrophobicContact CG1-CG2 4.26Å
272L98.9Very high97.6Very high0 Ų027.2 Ų27.20%016%0.155CC..EExtended strand (participates in β ladder)trans-102.3133.8177.7-56.8-177.5000110.1V17 C18 I19 V108 A111 A112 I115 V122 V123 I270 I289V17-L272 HydrophobicContact CG1-CB 4.15Å; V17-L272 HydrophobicContact CG1-CD1 4.04Å; V17-L272 HydrophobicContact CG1-CD2 4.19Å; V17-L272 HydrophobicContact CG1-CG 4.37Å; C18-L272 CarbonylContact O-C 3.53Å; C18-L272 VanDerWaalsContact O-CA 3.28Å; C18-L272 WeakPolarHBondContact O-CA 3.41Å; I19-L272 HydrophobicContact CG1-CD2 3.65Å; V108-L272 HydrophobicContact CG1-CD1 4.23Å; A111-L272 HydrophobicContact CB-CD1 3.65Å; A112-L272 HydrophobicContact CB-CD1 4.47Å; I115-L272 HydrophobicContact CD1-CB 3.62Å; V122-L272 WeakPolarHBondContact CA-O 3.23Å; V123-L272 PolarHBondContact N-O 3.1Å; V123-L272 PolarHBondContact O-N 3.49Å; I270-L272 HydrophobicContact CG2-CD2 3.62Å; I270-L272 HydrophobicContact CG2-CG 4.31Å; L272-I289 HydrophobicContact CD1-CD1 4.2Å; L272-I289 HydrophobicContact CD2-CD1 3.86Å
273V98.7Very high97.6Very high0 Ų025.9 Ų25.90%015%0.145CC..EExtended strand (participates in β ladder)trans-133141.3179.6-177.20000110.6C18 V20 D121 V122 V271 K277 A278 L283C18-V273 WeakPolarHBondContact CA-O 3.44Å; C18-V273 VanDerWaalsContact CB-O 3.23Å; C18-V273 WeakPolarHBondContact CB-O 3.45Å; C18-V273 PolarHBondContact N-O 3.46Å; C18-V273 PolarHBondContact O-N 3.24Å; V20-V273 HydrophobicContact CB-CG2 4.48Å; V20-V273 HydrophobicContact CG1-CB 4.12Å; V20-V273 HydrophobicContact CG1-CG2 4.19Å; V20-V273 HydrophobicContact CG2-CB 4.28Å; V20-V273 HydrophobicContact CG2-CG2 3.47Å; V20-V273 VanDerWaalsContact CG2-CG2 3.47Å; D121-V273 CarbonylContact O-C 3.6Å; D121-V273 WeakPolarHBondContact O-CA 3.48Å; V122-V273 HydrophobicContact CG1-CG2 4.24Å; V122-V273 HydrophobicContact CG2-CG1 4.31Å; V122-V273 HydrophobicContact CG2-CG2 4.21Å; V271-V273 HydrophobicContact CG1-CG2 4.26Å; V273-K277 HydrophobicContact CG1-CB 3.61Å; V273-K277 HydrophobicContact CG1-CG 3.7Å; V273-A278 HydrophobicContact CB-CB 4.45Å; V273-A278 HydrophobicContact CG1-CB 3.97Å; V273-L283 HydrophobicContact CB-CD1 4.44Å; V273-L283 HydrophobicContact CG1-CD1 4.14Å; V273-L283 HydrophobicContact CG2-CD1 4Å
274S98.6Very high97.4Very high0 Ų029.3 Ų29.30%016%0.16CC..EExtended strand (participates in β ladder)trans-63145.2172.673.70000110.9D16 D121 Q276 K277 A278D16-S274 CarbonylContact O-C 3.59Å; D121-S274 PolarHBondContact O-N 3.3Å; D121-S274 WeakPolarHBondContact OD1-CB 3.42Å; D121-S274 PolarHBondContact OD1-OG 2.9Å; S274-Q276 PolarHBondContact O-N 3.37Å; S274-K277 PolarHBondContact O-N 2.93Å; S274-K277 WeakPolarHBondContact OG-CB 3.41Å; S274-K277 PolarHBondContact OG-N 3.23Å; S274-A278 WeakPolarHBondContact O-CB 3.47Å; S274-A278 PolarHBondContact O-N 3.38Å
275G97.4Very high97.4Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-55.2-37.5-179.600000112.9K13 P14 D16 K279K13-G275 WeakPolarHBondContact O-CA 3.29Å; P14-G275 PolarHBondContact O-N 3.05Å; D16-G275 PolarHBondContact O-N 2.94Å; G275-K279 WeakPolarHBondContact O-CG 3.34Å; G275-K279 PolarHBondContact O-N 2.75Å; G275-K279 VanDerWaalsContact O-N 3.15Å
276Q96.8Very high97.3Very high114 Ų11431.2 Ų31.253%0.53317%0.17SC..Hα-helixtrans-65.2-46.1174.3-176.5176.13.700112.2P14 S274 K279 S280P14-Q276 HydrophobicContact CB-CB 4.13Å; P14-Q276 PolarHBondContact O-N 3.43Å; S274-Q276 PolarHBondContact O-N 3.37Å; Q276-K279 PolarHBondContact O-N 3.22Å; Q276-S280 PolarHBondContact O-N 2.57Å
277K97.7Very high97.2Very high65 Ų6531.2 Ų31.228%0.28317%0.17SC..Hα-helixtrans-67.8-40.3-179.1-175.568.363.7178.40111.5D121 V122 V273 S274 K279 S280 L281D121-K277 HydrophobicContact CB-CB 3.88Å; D121-K277 HydrophobicContact CB-CD 4.47Å; D121-K277 HydrophobicContact CB-CG 4.01Å; D121-K277 WeakPolarHBondContact OD2-CE 3.37Å; V122-K277 HydrophobicContact CG2-CG 3.91Å; V273-K277 HydrophobicContact CG1-CB 3.61Å; V273-K277 HydrophobicContact CG1-CG 3.7Å; S274-K277 PolarHBondContact O-N 2.93Å; S274-K277 WeakPolarHBondContact OG-CB 3.41Å; S274-K277 PolarHBondContact OG-N 3.23Å; K277-K279 VanDerWaalsContact C-N 3.32Å; K277-K279 PolarHBondContact O-N 3.4Å; K277-S280 WeakPolarHBondContact CA-OG 3.49Å; K277-S280 PolarHBondContact O-N 2.9Å; K277-S280 PolarHBondContact O-OG 3.34Å; K277-L281 HydrophobicContact CD-CD1 3.83Å; K277-L281 HydrophobicContact CD-CG 4.01Å; K277-L281 HydrophobicContact CG-CD1 3.83Å; K277-L281 HydrophobicContact CG-CG 4.3Å; K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 WeakPolarHBondContact O-CG 3.41Å; K277-L281 PolarHBondContact O-N 2.88Å
278A97Very high97.1Very high2 Ų233.2 Ų33.22%0.01718%0.177CC..Hα-helixtrans-57.8-44.6175.600000111.2C18 V273 S274 G282 L283 V285C18-A278 HydrophobicContact CB-CB 4.44Å; V273-A278 HydrophobicContact CB-CB 4.45Å; V273-A278 HydrophobicContact CG1-CB 3.97Å; S274-A278 WeakPolarHBondContact O-CB 3.47Å; S274-A278 PolarHBondContact O-N 3.38Å; A278-G282 PolarHBondContact O-N 3.2Å; A278-G282 VanDerWaalsContact O-N 3.15Å; A278-L283 PolarHBondContact O-N 3.15Å; A278-V285 HydrophobicContact CB-CG2 3.95Å
279K94.7Very high97.1Very high96 Ų9633.6 Ų33.642%0.41718%0.179SC..Hα-helixtrans-62.5-49.8172.3-71.3-178.4-173.1-167.30112S9 D10 L12 G275 Q276 K277 L281 G282S9-K279 WeakPolarHBondContact O-CE 3.45Å; S9-K279 PolarHBondContact O-NZ 2.96Å; D10-K279 PolarHBondContact O-NZ 3.33Å; L12-K279 WeakPolarHBondContact O-CE 3.41Å; L12-K279 PolarHBondContact O-NZ 3.39Å; G275-K279 WeakPolarHBondContact O-CG 3.34Å; G275-K279 PolarHBondContact O-N 2.75Å; G275-K279 VanDerWaalsContact O-N 3.15Å; Q276-K279 PolarHBondContact O-N 3.22Å; K277-K279 VanDerWaalsContact C-N 3.32Å; K277-K279 PolarHBondContact O-N 3.4Å; K279-L281 PolarHBondContact O-N 3Å; K279-G282 PolarHBondContact O-N 3.18Å; K279-G282 VanDerWaalsContact O-N 3.07Å
280S95.5Very high97.1Very high81 Ų8137 Ų3757%0.56619%0.192SC*.Hα-helixtrans-62.7-30.1-17670.90000113.8Q276 K277Q276-S280 PolarHBondContact O-N 2.57Å; K277-S280 WeakPolarHBondContact CA-OG 3.49Å; K277-S280 PolarHBondContact O-N 2.9Å; K277-S280 PolarHBondContact O-OG 3.34Å
281L95.7Very high97.1Very high65 Ų6537.2 Ų37.234%0.3419%0.194SC..THydrogen-bonded Turntrans-93.8-4.1179.3-67.4180000112.6L60 K277 K279 L283L60-L281 HydrophobicContact CD1-CD1 3.89Å; L60-L281 HydrophobicContact CD1-CD2 4.47Å; K277-L281 HydrophobicContact CD-CD1 3.83Å; K277-L281 HydrophobicContact CD-CG 4.01Å; K277-L281 HydrophobicContact CG-CD1 3.83Å; K277-L281 HydrophobicContact CG-CG 4.3Å; K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 WeakPolarHBondContact O-CG 3.41Å; K277-L281 PolarHBondContact O-N 2.88Å; K279-L281 PolarHBondContact O-N 3Å; L281-L283 VanDerWaalsContact C-N 3.27Å; L281-L283 HydrophobicContact CB-CD1 4.2Å; L281-L283 HydrophobicContact CB-CD2 4.08Å; L281-L283 HydrophobicContact CB-CG 3.72Å; L281-L283 HydrophobicContact CD1-CD1 4.11Å; L281-L283 HydrophobicContact CD1-CG 4.48Å; L281-L283 PolarHBondContact O-N 2.8Å
282G94.5Very high97.1Very high50 Ų5039 Ų3952%0.51520%0.202SC..THydrogen-bonded Turntrans59.337-175.700000113.1A278 K279A278-G282 PolarHBondContact O-N 3.2Å; A278-G282 VanDerWaalsContact O-N 3.15Å; K279-G282 PolarHBondContact O-N 3.18Å; K279-G282 VanDerWaalsContact O-N 3.07Å
283L95.5Very high97.1Very high16 Ų1639.3 Ų39.38%0.08420%0.204CC..  trans-76.5143.1-179-59.5178.5000110.9V20 V56 V273 A278 L281 V285V20-L283 HydrophobicContact CB-CB 4.5Å; V20-L283 HydrophobicContact CB-CD1 4.4Å; V20-L283 HydrophobicContact CG1-CB 4.09Å; V20-L283 HydrophobicContact CG1-CD1 4.14Å; V20-L283 HydrophobicContact CG2-CD1 4.27Å; V56-L283 HydrophobicContact CG2-CD1 3.7Å; V56-L283 HydrophobicContact CG2-CD2 3.98Å; V273-L283 HydrophobicContact CB-CD1 4.44Å; V273-L283 HydrophobicContact CG1-CD1 4.14Å; V273-L283 HydrophobicContact CG2-CD1 4Å; A278-L283 PolarHBondContact O-N 3.15Å; L281-L283 VanDerWaalsContact C-N 3.27Å; L281-L283 HydrophobicContact CB-CD1 4.2Å; L281-L283 HydrophobicContact CB-CD2 4.08Å; L281-L283 HydrophobicContact CB-CG 3.72Å; L281-L283 HydrophobicContact CD1-CD1 4.11Å; L281-L283 HydrophobicContact CD1-CG 4.48Å; L281-L283 PolarHBondContact O-N 2.8Å; L283-V285 PolarHBondContact O-N 2.96Å
284Q94.7Very high97.1Very high124 Ų12441.3 Ų41.358%0.57921%0.214SC*.  trans-71.6114.3168.5-176.5179.22.100109.3
285V96.5Very high97.1Very high15 Ų1542.1 Ų42.19%0.09122%0.221CC..  trans-83.5121174.1-178.90000109.2L12 C18 V20 A278 L283 A287 M406L12-V285 HydrophobicContact CD1-CG2 3.88Å; C18-V285 HydrophobicContact CB-CG1 3.78Å; C18-V285 HydrophobicContact CB-CG2 4.07Å; V20-V285 HydrophobicContact CG1-CG2 4.31Å; A278-V285 HydrophobicContact CB-CG2 3.95Å; L283-V285 PolarHBondContact O-N 2.96Å; V285-A287 WeakPolarHBondContact CG1-O 3.47Å; V285-M406 HydrophobicContact CB-CB 4.49Å; V285-M406 HydrophobicContact CB-CG 4.45Å; V285-M406 HydrophobicContact CG1-CB 4.12Å; V285-M406 HydrophobicContact CG1-CG 3.63Å
286I96.8Very high97.1Very high26 Ų2645.8 Ų45.813%0.13325%0.251CS..  trans-79.2-48177.1-59.4169.4000109.7I19 W210 L405 M406I19-I286 HydrophobicContact CG2-CB 4.48Å; I19-I286 WeakPolarHBondContact O-CB 3.38Å; I19-I286 PolarHBondContact O-N 3.14Å; W210-I286 HydrophobicContact CZ3-CD1 4.4Å; I286-L405 HydrophobicContact CG2-CD1 4.34Å; I286-L405 WeakPolarHBondContact O-CD1 3.27Å; I286-M406 PolarHBondContact O-N 3.25Å
287A97.8Very high97.2Very high0 Ų043.4 Ų43.40%024%0.24CC..EExtended strand (participates in β ladder)trans-154.7167.9-176.600000110.9C18 I19 V285 L376 V403 E404C18-A287 CarbonylContact C-O 3.44Å; C18-A287 WeakPolarHBondContact CA-O 3.49Å; I19-A287 HydrophobicContact CB-CB 4.39Å; I19-A287 HydrophobicContact CD1-CB 4.37Å; I19-A287 PolarHBondContact N-O 3.14Å; I19-A287 PolarHBondContact O-N 2.87Å; V285-A287 WeakPolarHBondContact CG1-O 3.47Å; A287-L376 HydrophobicContact CB-CD2 3.42Å; A287-L376 VanDerWaalsContact CB-CD2 3.42Å; A287-V403 HydrophobicContact CB-CB 4.48Å; A287-E404 CarbonylContact C-O 3.52Å; A287-E404 WeakPolarHBondContact CA-O 3.29Å; A287-E404 VanDerWaalsContact CB-O 3.28Å; A287-E404 WeakPolarHBondContact CB-O 3.37Å
288R97.7Very high97.2Very high43 Ų4342.2 Ų42.216%0.16224%0.243CC..EExtended strand (participates in β ladder)trans-117.3143.4165.464.8179178.1-179.5-4.2111.1V17 R290 V403 E404 M406V17-R288 WeakPolarHBondContact O-CA 3.45Å; R288-R290 HydrophobicContact CG-CG 4.25Å; R288-R290 PolarHBondContact O-N 3.35Å; R288-V403 WeakPolarHBondContact O-CA 3.45Å; R288-E404 HydrophobicContact CG-CB 3.94Å; R288-E404 IonicContact CZ-OE1 2.69Å; R288-E404 IonicContact CZ-OE2 3.36Å; R288-E404 PolarHBondContact N-O 3.32Å; R288-E404 IonicContact NE-OE1 3.09Å; R288-E404 IonicContact NE-OE2 3.85Å; R288-E404 PolarHBondContact NE-OE2 3.13Å; R288-E404 IonicContact NH2-OE1 2.72Å; R288-E404 PolarHBondContact NH2-OE1 3.25Å; R288-E404 IonicContact NH2-OE2 2.62Å; R288-E404 PolarHBondContact NH2-OE2 2.89Å; R288-E404 PolarHBondContact O-N 3.35Å; R288-M406 HydrophobicContact CB-SD 4.35Å; R288-M406 HydrophobicContact CG-SD 3.87Å
289I98.7Very high97.2Very high9 Ų943.5 Ų43.55%0.04625%0.251CS..EExtended strand (participates in β ladder)trans-78.8117.9170.3-60176.2000107.7V17 I19 V108 A112 L272 Y292 L401V17-I289 HydrophobicContact CB-CB 4.28Å; V17-I289 HydrophobicContact CG1-CD1 3.89Å; V17-I289 HydrophobicContact CG1-CG1 4.39Å; V17-I289 PolarHBondContact O-N 2.68Å; I19-I289 HydrophobicContact CD1-CG1 4.16Å; I19-I289 HydrophobicContact CG1-CG1 4.28Å; V108-I289 HydrophobicContact CG1-CD1 3.82Å; A112-I289 HydrophobicContact CB-CD1 4.14Å; L272-I289 HydrophobicContact CD1-CD1 4.2Å; L272-I289 HydrophobicContact CD2-CD1 3.86Å; I289-Y292 HydrophobicContact CG2-CD1 3.94Å; I289-L401 HydrophobicContact CD1-CD1 4.2Å; I289-L401 HydrophobicContact CG1-CD2 4.31Å; I289-L401 HydrophobicContact CG2-CD1 4.18Å; I289-L401 HydrophobicContact CG2-CD2 4.21Å; I289-L401 HydrophobicContact CG2-CG 4.07Å
290R98.1Very high97.4Very high70 Ų7041.4 Ų41.426%0.26424%0.243SC..EExtended strand (participates in β ladder)trans-92.3-34.2-175.8-74.2-63.6-57.4-83.5-6.7113.5R288 A317 V402 E404R288-R290 HydrophobicContact CG-CG 4.25Å; R288-R290 PolarHBondContact O-N 3.35Å; R290-A317 HydrophobicContact CB-CB 3.79Å; R290-A317 PolarHBondContact NH2-O 3.24Å; R290-A317 WeakPolarHBondContact O-CA 3.38Å; R290-V402 HydrophobicContact CB-CB 4.28Å; R290-V402 HydrophobicContact CB-CG1 4.12Å; R290-V402 PolarHBondContact N-O 3.45Å; R290-E404 VanDerWaalsContact CD-OE2 3.28Å; R290-E404 WeakPolarHBondContact CD-OE2 3.3Å; R290-E404 HydrophobicContact CG-CB 3.71Å; R290-E404 IonicContact CZ-OE2 2.85Å; R290-E404 IonicContact NE-OE2 2.73Å; R290-E404 IonicContact NH1-OE2 3.7Å; R290-E404 PolarHBondContact NH1-OE2 3.17Å
291G98.4Very high97.5Very high5 Ų539.5 Ų39.55%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-171.4159.8-178.500000110.4V402G291-V402 PolarHBondContact O-N 3.2Å
292Y98.9Very high97.6Very high39 Ų3936.6 Ų36.615%0.15321%0.211CC..EExtended strand (participates in β ladder)trans-153.7158.7177.150.2-100.4000109.3M109 A112 Q113 Q116 I289 N316 A400M109-Y292 HydrophobicContact CB-CD2 4.19Å; M109-Y292 HydrophobicContact CB-CG 4.39Å; M109-Y292 HydrophobicContact CG-CD2 3.99Å; M109-Y292 HydrophobicContact CG-CG 3.91Å; M109-Y292 HydrophobicContact SD-CD2 4.03Å; M109-Y292 HydrophobicContact SD-CG 4.29Å; A112-Y292 HydrophobicContact CB-CE1 4.05Å; Q113-Y292 HydrophobicContact CG-CE2 4.18Å; Q113-Y292 WeakPolarHBondContact CG-OH 3.37Å; Q116-Y292 PolarHBondContact OE1-OH 3.01Å; I289-Y292 HydrophobicContact CG2-CD1 3.94Å; Y292-N316 PolarHBondContact O-ND2 2.76Å; Y292-A400 CarbonylContact C-O 3.51Å; Y292-A400 WeakPolarHBondContact CA-O 3.47Å; Y292-A400 WeakPolarHBondContact CB-O 3.4Å
293A98.8Very high97.8Very high5 Ų534.2 Ų34.24%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-157.1151.1176.300000112.4K312 A313 S399 A400A293-K312 HydrophobicContact CB-CB 3.74Å; A293-K312 HydrophobicContact CB-CD 3.82Å; A293-K312 HydrophobicContact CB-CG 3.55Å; A293-A313 HydrophobicContact CB-CB 3.94Å; A293-S399 WeakPolarHBondContact O-CA 3.21Å; A293-A400 PolarHBondContact N-O 3.41Å; A293-A400 PolarHBondContact O-N 2.87Å
294D98.9Very high97.9Very high42 Ų4234 Ų3423%0.22519%0.185CC..EExtended strand (participates in β ladder)trans-105.8149.4163-64.2-60.8000109.9K99 K106 K312 A398 S399K99-D294 WeakPolarHBondContact CE-OD1 3.5Å; K99-D294 IonicContact NZ-OD1 3.8Å; K99-D294 PolarHBondContact NZ-OD1 3.24Å; K106-D294 IonicContact NZ-OD2 2.92Å; K106-D294 PolarHBondContact NZ-OD2 2.84Å; D294-K312 PolarHBondContact O-NZ 3.49Å; D294-A398 WeakPolarHBondContact CA-O 3.47Å; D294-S399 WeakPolarHBondContact OD1-CB 3.18Å; D294-S399 PolarHBondContact OD1-OG 2.8Å
295A98.8Very high98.1Very high18 Ų1828.1 Ų28.115%0.14916%0.158CC..EExtended strand (participates in β ladder)trans-140.9161.7169.200000110.3T305 L308 A309 G397 A398A295-T305 HydrophobicContact CB-CG2 4.01Å; A295-T305 WeakPolarHBondContact O-CG2 3.4Å; A295-L308 HydrophobicContact CB-CB 3.68Å; A295-A309 HydrophobicContact CB-CB 3.95Å; A295-G397 CarbonylContact O-C 3.48Å; A295-G397 WeakPolarHBondContact O-CA 3.21Å; A295-A398 PolarHBondContact N-O 2.95Å; A295-A398 VanDerWaalsContact N-O 3.15Å; A295-A398 PolarHBondContact O-N 3.22Å
296A98.6Very high98.2Very high76 Ų7627.4 Ų27.463%0.62815%0.153SC*.EExtended strand (participates in β ladder)trans-144.9150.9176.800000110.7G396A296-G396 WeakPolarHBondContact CA-O 3.39Å
297Q98.3Very high98.3Very high65 Ų6527 Ų2730%0.30415%0.154SC..  trans-133.6-171.4171.1-62.4-174.3100.100108.6L301 T304 T305 L308 G396Q297-L301 HydrophobicContact CB-CB 4.02Å; Q297-L301 PolarHBondContact NE2-O 3.39Å; Q297-T304 PolarHBondContact NE2-OG1 2.89Å; Q297-T304 VanDerWaalsContact NE2-OG1 3.1Å; Q297-T305 HydrophobicContact CG-CG2 4.33Å; Q297-T305 VanDerWaalsContact NE2-CA 3.28Å; Q297-T305 VanDerWaalsContact NE2-N 3.13Å; Q297-T305 PolarHBondContact NE2-OG1 3.5Å; Q297-L308 HydrophobicContact CG-CD1 3.42Å; Q297-L308 VanDerWaalsContact CG-CD1 3.42Å; Q297-G396 PolarHBondContact N-O 3.41Å
298A97.7Very high98.4Very high40 Ų4030.8 Ų30.833%0.33117%0.174SC..  trans-54147.3168.500000111.1E300 L301A298-E300 VanDerWaalsContact C-N 3.31Å; A298-E300 PolarHBondContact O-N 3.31Å; A298-L301 HydrophobicContact CB-CD1 4.12Å; A298-L301 HydrophobicContact CB-CG 4.16Å; A298-L301 WeakPolarHBondContact O-CA 3.43Å; A298-L301 WeakPolarHBondContact O-CB 3.5Å; A298-L301 PolarHBondContact O-N 2.86Å
299P97.5Very high98.4Very high29 Ų2928.8 Ų28.819%0.18817%0.166CC..G310 helixtrans-52.2-44.2-172.6-29.636.4000114.9D163 Y165 L301 F302 G396D163-P299 WeakPolarHBondContact OD1-CB 3.49Å; Y165-P299 HydrophobicContact CD2-CB 3.52Å; Y165-P299 HydrophobicContact CD2-CG 3.31Å; Y165-P299 HydrophobicContact CE2-CB 4.1Å; Y165-P299 HydrophobicContact CE2-CG 3.72Å; Y165-P299 HydrophobicContact CG-CB 4.33Å; Y165-P299 HydrophobicContact CG-CG 3.86Å; P299-L301 PolarHBondContact O-N 3.05Å; P299-F302 PolarHBondContact O-N 2.72Å; P299-G396 PolarHBondContact O-N 3.33Å
300E97.2Very high98.4Very high52 Ų5228.4 Ų28.424%0.24316%0.164CC..G310 helixtrans-69.7-18179.265.1-81.6-173.700113.8N166 F168 C173 L176 A298N166-E300 PolarHBondContact ND2-OE2 3.36Å; N166-E300 VanDerWaalsContact ND2-OE2 3.12Å; F168-E300 HydrophobicContact CZ-CB 4.16Å; C173-E300 WeakPolarHBondContact CB-O 3.47Å; L176-E300 HydrophobicContact CD2-CB 3.93Å; L176-E300 HydrophobicContact CD2-CG 3.75Å; A298-E300 VanDerWaalsContact C-N 3.31Å; A298-E300 PolarHBondContact O-N 3.31Å
301L98Very high98.5Very high41 Ų4127.4 Ų27.422%0.21517%0.167CC..G310 helixtrans-93.211.2178.7-57-177.2000113.2L176 Q297 A298 P299 T303 T304 T305L176-L301 HydrophobicContact CD2-CD2 4.39Å; Q297-L301 HydrophobicContact CB-CB 4.02Å; Q297-L301 PolarHBondContact NE2-O 3.39Å; A298-L301 HydrophobicContact CB-CD1 4.12Å; A298-L301 HydrophobicContact CB-CG 4.16Å; A298-L301 WeakPolarHBondContact O-CA 3.43Å; A298-L301 WeakPolarHBondContact O-CB 3.5Å; A298-L301 PolarHBondContact O-N 2.86Å; P299-L301 PolarHBondContact O-N 3.05Å; L301-T303 PolarHBondContact O-N 3.49Å; L301-T304 PolarHBondContact O-N 3.16Å; L301-T304 VanDerWaalsContact O-N 3.12Å; L301-T304 PolarHBondContact O-OG1 2.88Å; L301-T305 PolarHBondContact O-OG1 2.86Å
302F98.2Very high98.5Very high4 Ų432.2 Ų32.22%0.01819%0.186CC..G310 helixtrans-53.9-29.9179.184.2-90.3000113M170 C173 P299 T304 T305 F333 C392 N393M170-F302 HydrophobicContact CB-CE1 4.36Å; M170-F302 HydrophobicContact CB-CZ 4.17Å; M170-F302 HydrophobicContact CG-CZ 4.45Å; M170-F302 HydrophobicContact SD-CD1 4.18Å; M170-F302 HydrophobicContact SD-CE1 3.57Å; M170-F302 VanDerWaalsContact SD-CE1 3.57Å; M170-F302 HydrophobicContact SD-CZ 3.88Å; C173-F302 HydrophobicContact CB-CD1 3.83Å; C173-F302 HydrophobicContact CB-CE1 3.33Å; C173-F302 HydrophobicContact CB-CZ 4.33Å; P299-F302 PolarHBondContact O-N 2.72Å; F302-T304 PolarHBondContact O-N 2.98Å; F302-T305 WeakPolarHBondContact CA-OG1 3.48Å; F302-T305 PolarHBondContact O-N 2.81Å; F302-F333 HydrophobicContact CZ-CE2 4.41Å; F302-C392 HydrophobicContact CD2-CB 3.81Å; F302-C392 HydrophobicContact CE2-CB 4.43Å; F302-C392 WeakPolarHBondContact O-CB 3.08Å; F302-N393 VanDerWaalsContact CB-O 3.29Å; F302-N393 WeakPolarHBondContact CB-O 3.43Å
303T98.5Very high98.5Very high0 Ų030.4 Ų30.40%018%0.179CC..G310 helixtrans-58.1-28-178.651.20000113.3C173 C177 L301 V336 N340C173-T303 HydrophobicContact CB-CG2 4.14Å; C177-T303 HydrophobicContact CB-CG2 4.1Å; C177-T303 WeakPolarHBondContact CB-OG1 3.45Å; L301-T303 PolarHBondContact O-N 3.49Å; T303-V336 HydrophobicContact CG2-CG2 3.84Å; T303-N340 PolarHBondContact O-ND2 3.04Å
304T98.8Very high98.5Very high11 Ų1130.3 Ų30.37%0.06718%0.178CC..G310 helixtrans-112.3-1.418060.80000113.7H181 Q297 L301 F302 P306 A307 A339 N340 L343H181-T304 WeakPolarHBondContact NE2-CG2 3.24Å; Q297-T304 PolarHBondContact NE2-OG1 2.89Å; Q297-T304 VanDerWaalsContact NE2-OG1 3.1Å; L301-T304 PolarHBondContact O-N 3.16Å; L301-T304 VanDerWaalsContact O-N 3.12Å; L301-T304 PolarHBondContact O-OG1 2.88Å; F302-T304 PolarHBondContact O-N 2.98Å; T304-P306 VanDerWaalsContact C-N 3.26Å; T304-A307 VanDerWaalsContact O-CB 3.22Å; T304-A307 WeakPolarHBondContact O-CB 3.34Å; T304-A307 PolarHBondContact O-N 3.12Å; T304-A339 HydrophobicContact CG2-CB 4.28Å; T304-N340 PolarHBondContact O-OD1 3.01Å; T304-L343 HydrophobicContact CG2-CD1 3.93Å
305T98.8Very high98.5Very high0 Ų032.2 Ų32.20%020%0.195CC..THydrogen-bonded Turntrans-59.1-26.6177.8-52.50000114.2A295 Q297 L301 F302 A307 L308 A309 G396 A398A295-T305 HydrophobicContact CB-CG2 4.01Å; A295-T305 WeakPolarHBondContact O-CG2 3.4Å; Q297-T305 HydrophobicContact CG-CG2 4.33Å; Q297-T305 VanDerWaalsContact NE2-CA 3.28Å; Q297-T305 VanDerWaalsContact NE2-N 3.13Å; Q297-T305 PolarHBondContact NE2-OG1 3.5Å; L301-T305 PolarHBondContact O-OG1 2.86Å; F302-T305 WeakPolarHBondContact CA-OG1 3.48Å; F302-T305 PolarHBondContact O-N 2.81Å; T305-A307 PolarHBondContact O-N 3Å; T305-L308 PolarHBondContact O-N 3.33Å; T305-A309 PolarHBondContact O-N 2.91Å; T305-G396 WeakPolarHBondContact CG2-O 3.29Å; T305-G396 PolarHBondContact OG1-O 2.91Å; T305-A398 HydrophobicContact CG2-CB 3.63Å
306P98.8Very high98.4Very high0 Ų035.9 Ų35.90%021%0.212CC..Hα-helixtrans-56.8-30.9169.4-24.934.8000113.6T304 L308 A309 I310 N340 C392 A398T304-P306 VanDerWaalsContact C-N 3.26Å; P306-L308 PolarHBondContact O-N 3.31Å; P306-A309 PolarHBondContact O-N 2.85Å; P306-I310 HydrophobicContact CB-CD1 4.18Å; P306-I310 VanDerWaalsContact O-CB 3.3Å; P306-I310 WeakPolarHBondContact O-CB 3.21Å; P306-I310 WeakPolarHBondContact O-CG1 3.33Å; P306-I310 PolarHBondContact O-N 2.85Å; P306-N340 WeakPolarHBondContact CB-OD1 3.42Å; P306-C392 HydrophobicContact CG-CB 3.74Å; P306-A398 HydrophobicContact CG-CB 4.08Å
307A98.7Very high98.4Very high17 Ų1732.6 Ų32.614%0.1419%0.185CC..Hα-helixtrans-64.7-16.7174.800000113.6T304 T305 P311 N340 L343 L344T304-A307 VanDerWaalsContact O-CB 3.22Å; T304-A307 WeakPolarHBondContact O-CB 3.34Å; T304-A307 PolarHBondContact O-N 3.12Å; T305-A307 PolarHBondContact O-N 3Å; A307-P311 WeakPolarHBondContact O-CD 3.26Å; A307-P311 VanDerWaalsContact O-CG 3.26Å; A307-P311 WeakPolarHBondContact O-CG 3.42Å; A307-N340 WeakPolarHBondContact CB-OD1 3.45Å; A307-N340 PolarHBondContact N-OD1 3.07Å; A307-L343 HydrophobicContact CB-CB 3.98Å; A307-L343 HydrophobicContact CB-CD1 3.92Å; A307-L344 HydrophobicContact CB-CD2 4.27Å; A307-L344 HydrophobicContact CB-CG 4.2Å
308L98.8Very high98.4Very high81 Ų8132.6 Ų32.642%0.42420%0.202SC..Hα-helixtrans-95.9-41.5170.7-57.2-175.8000112.1A295 Q297 T305 P306 K312A295-L308 HydrophobicContact CB-CB 3.68Å; Q297-L308 HydrophobicContact CG-CD1 3.42Å; Q297-L308 VanDerWaalsContact CG-CD1 3.42Å; T305-L308 PolarHBondContact O-N 3.33Å; P306-L308 PolarHBondContact O-N 3.31Å; L308-K312 WeakPolarHBondContact O-CB 3.37Å; L308-K312 PolarHBondContact O-N 3.33Å
309A98.9Very high98.5Very high0 Ų031.4 Ų31.40%019%0.19CC..Hα-helixtrans-69-40.6-177.400000112.5A295 T305 P306 K312 A313 A398 A400A295-A309 HydrophobicContact CB-CB 3.95Å; T305-A309 PolarHBondContact O-N 2.91Å; P306-A309 PolarHBondContact O-N 2.85Å; A309-K312 PolarHBondContact O-N 3.22Å; A309-A313 WeakPolarHBondContact O-CB 3.38Å; A309-A313 PolarHBondContact O-N 2.78Å; A309-A398 HydrophobicContact CB-CB 3.97Å; A309-A400 HydrophobicContact CB-CB 3.89Å
310I98.9Very high98.4Very high2 Ų236.2 Ų36.21%0.0121%0.21CC..Hα-helixtrans-63.2-54.5-177-74.1167000111.7P306 K312 A313 V314 Y327 I329 L344 V388 A400P306-I310 HydrophobicContact CB-CD1 4.18Å; P306-I310 VanDerWaalsContact O-CB 3.3Å; P306-I310 WeakPolarHBondContact O-CB 3.21Å; P306-I310 WeakPolarHBondContact O-CG1 3.33Å; P306-I310 PolarHBondContact O-N 2.85Å; I310-K312 PolarHBondContact O-N 3.35Å; I310-A313 PolarHBondContact O-N 2.83Å; I310-A313 VanDerWaalsContact O-N 3.13Å; I310-V314 HydrophobicContact CG2-CG2 4.42Å; I310-V314 WeakPolarHBondContact O-CG2 3.13Å; I310-V314 PolarHBondContact O-N 3.04Å; I310-Y327 HydrophobicContact CG2-CE1 4.13Å; I310-I329 HydrophobicContact CD1-CD1 3.78Å; I310-I329 HydrophobicContact CD1-CG1 3.88Å; I310-L344 HydrophobicContact CB-CD1 4.09Å; I310-L344 HydrophobicContact CD1-CD1 3.71Å; I310-L344 HydrophobicContact CG2-CD1 4.03Å; I310-V388 HydrophobicContact CG1-CG1 4.13Å; I310-V388 HydrophobicContact CG2-CG1 4.08Å; I310-A400 HydrophobicContact CB-CB 4.48Å; I310-A400 HydrophobicContact CG1-CB 3.84Å
311P98.7Very high98.3Very high49 Ų4937.4 Ų37.432%0.31822%0.221SC..Hα-helixtrans-59.1-37.7177.7-25.936.1000112.6A307 V314 S315 L344A307-P311 WeakPolarHBondContact O-CD 3.26Å; A307-P311 VanDerWaalsContact O-CG 3.26Å; A307-P311 WeakPolarHBondContact O-CG 3.42Å; P311-V314 PolarHBondContact O-N 3.23Å; P311-S315 WeakPolarHBondContact O-CB 3.47Å; P311-S315 PolarHBondContact O-N 3.19Å; P311-L344 HydrophobicContact CG-CD2 3.56Å
312K98.7Very high98.2Very high106 Ų10640.2 Ų40.246%0.46124%0.244SC..Hα-helixtrans-64.5-42.3176.4-170.6177.3170.8-173.60112A293 D294 L308 A309 I310 S315 N316A293-K312 HydrophobicContact CB-CB 3.74Å; A293-K312 HydrophobicContact CB-CD 3.82Å; A293-K312 HydrophobicContact CB-CG 3.55Å; D294-K312 PolarHBondContact O-NZ 3.49Å; L308-K312 WeakPolarHBondContact O-CB 3.37Å; L308-K312 PolarHBondContact O-N 3.33Å; A309-K312 PolarHBondContact O-N 3.22Å; I310-K312 PolarHBondContact O-N 3.35Å; K312-S315 PolarHBondContact O-N 3.26Å; K312-N316 WeakPolarHBondContact O-CB 3.42Å; K312-N316 PolarHBondContact O-N 3.06Å; K312-N316 PolarHBondContact O-OD1 3.2Å
313A98.8Very high98.2Very high0 Ų044.3 Ų44.30%026%0.263CS..Hα-helixtrans-66.6-40.3176.300000112.2A293 A309 I310 N316 A317 A400 V402A293-A313 HydrophobicContact CB-CB 3.94Å; A309-A313 WeakPolarHBondContact O-CB 3.38Å; A309-A313 PolarHBondContact O-N 2.78Å; I310-A313 PolarHBondContact O-N 2.83Å; I310-A313 VanDerWaalsContact O-N 3.13Å; A313-N316 PolarHBondContact O-N 2.9Å; A313-A317 WeakPolarHBondContact O-CB 3.4Å; A313-A317 PolarHBondContact O-N 3.25Å; A313-A400 HydrophobicContact CB-CB 3.8Å; A313-V402 HydrophobicContact CB-CG2 4.01Å; A313-V402 WeakPolarHBondContact O-CG2 3.45Å
314V98.7Very high98.2Very high3 Ų344.3 Ų44.32%0.01826%0.263CS..Hα-helixtrans-64.3-43.7175.4172.50000111.2I310 P311 A317 G318 L319 I324 V388 V402I310-V314 HydrophobicContact CG2-CG2 4.42Å; I310-V314 WeakPolarHBondContact O-CG2 3.13Å; I310-V314 PolarHBondContact O-N 3.04Å; P311-V314 PolarHBondContact O-N 3.23Å; V314-A317 WeakPolarHBondContact O-CB 3.42Å; V314-A317 PolarHBondContact O-N 2.97Å; V314-A317 VanDerWaalsContact O-N 3.15Å; V314-G318 PolarHBondContact O-N 2.85Å; V314-L319 HydrophobicContact CG1-CB 4.03Å; V314-L319 WeakPolarHBondContact CG1-O 3.29Å; V314-L319 PolarHBondContact O-N 3.02Å; V314-L319 VanDerWaalsContact O-N 3.13Å; V314-I324 HydrophobicContact CG1-CD1 4.4Å; V314-I324 HydrophobicContact CG2-CD1 4.13Å; V314-I324 HydrophobicContact CG2-CG1 4.28Å; V314-V388 HydrophobicContact CG2-CG2 3.78Å; V314-V402 HydrophobicContact CG2-CG2 4.2Å
315S98.5Very high98.1Very high82 Ų8246.1 Ų46.157%0.57327%0.272SS*.Hα-helixtrans-62.6-45.5174.1-179.50000111.8P311 K312 A317 G318P311-S315 WeakPolarHBondContact O-CB 3.47Å; P311-S315 PolarHBondContact O-N 3.19Å; K312-S315 PolarHBondContact O-N 3.26Å; S315-A317 PolarHBondContact O-N 2.88Å; S315-G318 WeakPolarHBondContact O-CA 3.27Å; S315-G318 PolarHBondContact O-N 3.48Å
316N98.5Very high98.1Very high96 Ų9648.1 Ų48.151%0.51328%0.28SS..Hα-helixtrans-61.5-25174.8-74.3-6.9000113Y292 K312 A313 G318Y292-N316 PolarHBondContact O-ND2 2.76Å; K312-N316 WeakPolarHBondContact O-CB 3.42Å; K312-N316 PolarHBondContact O-N 3.06Å; K312-N316 PolarHBondContact O-OD1 3.2Å; A313-N316 PolarHBondContact O-N 2.9Å; N316-G318 VanDerWaalsContact C-N 3.26Å
317A98.3Very high98.1Very high7 Ų748.7 Ų48.76%0.05828%0.283CS..THydrogen-bonded Turntrans-78.9-7.2173.500000113.9R290 A313 V314 S315 L319 V402R290-A317 HydrophobicContact CB-CB 3.79Å; R290-A317 PolarHBondContact NH2-O 3.24Å; R290-A317 WeakPolarHBondContact O-CA 3.38Å; A313-A317 WeakPolarHBondContact O-CB 3.4Å; A313-A317 PolarHBondContact O-N 3.25Å; V314-A317 WeakPolarHBondContact O-CB 3.42Å; V314-A317 PolarHBondContact O-N 2.97Å; V314-A317 VanDerWaalsContact O-N 3.15Å; S315-A317 PolarHBondContact O-N 2.88Å; A317-L319 HydrophobicContact CB-CB 4.49Å; A317-L319 HydrophobicContact CB-CD1 3.83Å; A317-L319 HydrophobicContact CB-CG 4.07Å; A317-V402 HydrophobicContact CB-CB 4.05Å; A317-V402 HydrophobicContact CB-CG1 4.08Å; A317-V402 HydrophobicContact CB-CG2 4.04Å
318G98.1Very high98.1Very high65 Ų6547.9 Ų47.967%0.6728%0.276SS*.THydrogen-bonded Turntrans69.733.7-173.700000112.8V314 S315 N316V314-G318 PolarHBondContact O-N 2.85Å; S315-G318 WeakPolarHBondContact O-CA 3.27Å; S315-G318 PolarHBondContact O-N 3.48Å; N316-G318 VanDerWaalsContact C-N 3.26Å
319L98.2Very high98.1Very high15 Ų1544.1 Ų44.18%0.07926%0.256CS..  trans-122.5164.1-174.7-63.6171.5000111.6V314 A317 I324 I386 V402V314-L319 HydrophobicContact CG1-CB 4.03Å; V314-L319 WeakPolarHBondContact CG1-O 3.29Å; V314-L319 PolarHBondContact O-N 3.02Å; V314-L319 VanDerWaalsContact O-N 3.13Å; A317-L319 HydrophobicContact CB-CB 4.49Å; A317-L319 HydrophobicContact CB-CD1 3.83Å; A317-L319 HydrophobicContact CB-CG 4.07Å; L319-I324 HydrophobicContact CD1-CD1 4.46Å; L319-I386 HydrophobicContact CD1-CD1 3.9Å; L319-I386 HydrophobicContact CD1-CG2 3.82Å; L319-I386 HydrophobicContact CD2-CD1 3.94Å; L319-V402 HydrophobicContact CD1-CG1 4Å
320Q96.7Very high98.1Very high130 Ų13044.1 Ų44.161%0.60726%0.256SS*.  trans-103153.8167.4-62.1-63.1-18.700110.7S322 Q323Q320-S322 PolarHBondContact O-N 3.28Å; Q320-Q323 HydrophobicContact CB-CG 4.4Å; Q320-Q323 WeakPolarHBondContact O-CB 3.42Å; Q320-Q323 PolarHBondContact O-N 3.12Å
321T94.5Very high98.1Very high77 Ų7744 Ų4447%0.47226%0.256SS..G310 helixtrans-59.3-28.717952.40000113.1Q323 I324 Y327T321-Q323 PolarHBondContact O-N 3.46Å; T321-I324 PolarHBondContact O-N 3.47Å; T321-Y327 PolarHBondContact O-OH 2.87Å
322S96.2Very high98.1Very high100 Ų10041.9 Ų41.970%0.69924%0.242SC*.G310 helixtrans-65.6-20.5175.256.70000113.8Q320 I324Q320-S322 PolarHBondContact O-N 3.28Å; S322-I324 VanDerWaalsContact C-N 3.33Å
323Q97.3Very high98Very high89 Ų8937.7 Ų37.742%0.41622%0.224SC..G310 helixtrans-87.1-2.3179.4-58.9178.9-92.700113.2Q320 T321 I386Q320-Q323 HydrophobicContact CB-CG 4.4Å; Q320-Q323 WeakPolarHBondContact O-CB 3.42Å; Q320-Q323 PolarHBondContact O-N 3.12Å; T321-Q323 PolarHBondContact O-N 3.46Å; Q323-I386 HydrophobicContact CB-CD1 4.47Å
324I98.4Very high98Very high0 Ų037.7 Ų37.70%022%0.224CC..  trans-87.2125.9179.8-49.9-51.8000109.9V314 L319 T321 S322 Y326 Y327 K350 I386 V388V314-I324 HydrophobicContact CG1-CD1 4.4Å; V314-I324 HydrophobicContact CG2-CD1 4.13Å; V314-I324 HydrophobicContact CG2-CG1 4.28Å; L319-I324 HydrophobicContact CD1-CD1 4.46Å; T321-I324 PolarHBondContact O-N 3.47Å; S322-I324 VanDerWaalsContact C-N 3.33Å; I324-Y326 WeakPolarHBondContact CG2-O 3.3Å; I324-Y327 HydrophobicContact CB-CE1 4.31Å; I324-Y327 HydrophobicContact CB-CE2 3.75Å; I324-Y327 VanDerWaalsContact CB-OH 3.3Å; I324-Y327 WeakPolarHBondContact CB-OH 3.23Å; I324-Y327 HydrophobicContact CG1-CE1 4.43Å; I324-Y327 WeakPolarHBondContact CG1-OH 3.4Å; I324-Y327 HydrophobicContact CG2-CD1 4.27Å; I324-Y327 HydrophobicContact CG2-CD2 3.91Å; I324-Y327 HydrophobicContact CG2-CE1 3.84Å; I324-Y327 HydrophobicContact CG2-CE2 3.43Å; I324-Y327 VanDerWaalsContact CG2-CE2 3.43Å; I324-Y327 HydrophobicContact CG2-CG 4.31Å; I324-Y327 VanDerWaalsContact CG2-CZ 3.41Å; I324-K350 PolarHBondContact O-NZ 3.29Å; I324-I386 HydrophobicContact CD1-CG2 3.55Å; I324-V388 HydrophobicContact CB-CG2 4.44Å; I324-V388 HydrophobicContact CD1-CG2 3.64Å; I324-V388 HydrophobicContact CG1-CG2 3.87Å; I324-V388 HydrophobicContact CG2-CB 4.36Å; I324-V388 HydrophobicContact CG2-CG2 3.71Å
325D98.4Very high98Very high49 Ų4937.6 Ų37.626%0.26222%0.223SC..  trans-81.5-48.9179-60.1-49.6000111K350 K385 I386D325-K350 WeakPolarHBondContact O-CD 3.4Å; D325-K350 WeakPolarHBondContact O-CE 3.4Å; D325-K350 VanDerWaalsContact O-CG 3.23Å; D325-K350 WeakPolarHBondContact O-CG 3.5Å; D325-K385 WeakPolarHBondContact OD2-CA 3.5Å; D325-K385 PolarHBondContact OD2-N 2.95Å; D325-I386 WeakPolarHBondContact CB-O 3.39Å; D325-I386 PolarHBondContact N-O 3.01Å; D325-I386 PolarHBondContact OD2-N 3.46Å
326Y98.6Very high98Very high42 Ų4233.7 Ų33.717%0.16520%0.196CC..EExtended strand (participates in β ladder)trans-139.5151-175.6-58.6-64.9000113.3I324 K350 L353 I378 L379 K382 I386 G387 V388I324-Y326 WeakPolarHBondContact CG2-O 3.3Å; Y326-K350 CarbonylContact C-O 3.59Å; Y326-K350 WeakPolarHBondContact CA-O 3.29Å; Y326-L353 HydrophobicContact CD1-CD1 3.39Å; Y326-L353 HydrophobicContact CD1-CG 4.18Å; Y326-L353 HydrophobicContact CE1-CD1 3.3Å; Y326-L353 HydrophobicContact CE1-CG 4.48Å; Y326-L353 HydrophobicContact CG-CD1 4.39Å; Y326-I378 HydrophobicContact CD1-CG2 4.18Å; Y326-I378 HydrophobicContact CD2-CG2 3.88Å; Y326-I378 HydrophobicContact CE2-CG2 4.49Å; Y326-I378 HydrophobicContact CG-CG2 3.71Å; Y326-L379 HydrophobicContact CD2-CD2 3.94Å; Y326-K382 HydrophobicContact CD2-CB 4.44Å; Y326-K382 HydrophobicContact CE1-CB 4.5Å; Y326-K382 HydrophobicContact CE2-CB 3.49Å; Y326-K382 VanDerWaalsContact CE2-CB 3.49Å; Y326-K382 HydrophobicContact CE2-CG 4.36Å; Y326-K382 WeakPolarHBondContact OH-CB 3.38Å; Y326-I386 PolarHBondContact N-O 3.34Å; Y326-G387 VanDerWaalsContact O-CA 3.23Å; Y326-G387 WeakPolarHBondContact O-CA 3.27Å; Y326-V388 PolarHBondContact O-N 2.92Å
327Y98.8Very high98.1Very high12 Ų1229.1 Ų29.15%0.04717%0.172CC..EExtended strand (participates in β ladder)trans-123.8135.1179.6-65.9-97.4000109.9I310 T321 I324 I346 K350 L351 N352 V388I310-Y327 HydrophobicContact CG2-CE1 4.13Å; T321-Y327 PolarHBondContact O-OH 2.87Å; I324-Y327 HydrophobicContact CB-CE1 4.31Å; I324-Y327 HydrophobicContact CB-CE2 3.75Å; I324-Y327 VanDerWaalsContact CB-OH 3.3Å; I324-Y327 WeakPolarHBondContact CB-OH 3.23Å; I324-Y327 HydrophobicContact CG1-CE1 4.43Å; I324-Y327 WeakPolarHBondContact CG1-OH 3.4Å; I324-Y327 HydrophobicContact CG2-CD1 4.27Å; I324-Y327 HydrophobicContact CG2-CD2 3.91Å; I324-Y327 HydrophobicContact CG2-CE1 3.84Å; I324-Y327 HydrophobicContact CG2-CE2 3.43Å; I324-Y327 VanDerWaalsContact CG2-CE2 3.43Å; I324-Y327 HydrophobicContact CG2-CG 4.31Å; I324-Y327 VanDerWaalsContact CG2-CZ 3.41Å; Y327-I346 HydrophobicContact CD1-CD1 3.75Å; Y327-I346 HydrophobicContact CD1-CG1 4.42Å; Y327-I346 HydrophobicContact CD2-CD1 4.3Å; Y327-I346 HydrophobicContact CD2-CG1 4.29Å; Y327-I346 HydrophobicContact CD2-CG2 3.69Å; Y327-I346 HydrophobicContact CE1-CD1 3.97Å; Y327-I346 HydrophobicContact CE1-CG1 4.29Å; Y327-I346 HydrophobicContact CE2-CD1 4.49Å; Y327-I346 HydrophobicContact CE2-CG1 4.16Å; Y327-I346 HydrophobicContact CE2-CG2 4.08Å; Y327-I346 HydrophobicContact CG-CD1 3.92Å; Y327-I346 HydrophobicContact CG-CG1 4.41Å; Y327-I346 HydrophobicContact CG-CG2 4.18Å; Y327-K350 HydrophobicContact CD2-CB 4.25Å; Y327-K350 PolarHBondContact N-O 3.02Å; Y327-L351 WeakPolarHBondContact O-CA 3.3Å; Y327-N352 PolarHBondContact O-N 2.86Å; Y327-V388 CarbonylContact C-O 3.54Å; Y327-V388 VanDerWaalsContact CA-O 3.3Å; Y327-V388 WeakPolarHBondContact CA-O 3.43Å; Y327-V388 HydrophobicContact CD1-CB 3.95Å; Y327-V388 HydrophobicContact CE1-CB 4.13Å; Y327-V388 HydrophobicContact CE1-CG2 4.29Å
328E98.8Very high98.1Very high1 Ų130.1 Ų30.11%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-111.5103.1162.1-86.1-76.4127.200108.4N352 R370 I371 L375 I378 V388 A389 G390E328-N352 VanDerWaalsContact CA-OD1 3.29Å; E328-N352 WeakPolarHBondContact CA-OD1 3.32Å; E328-N352 WeakPolarHBondContact OE1-CA 3.48Å; E328-R370 IonicContact OE2-NH1 2.73Å; E328-R370 PolarHBondContact OE2-NH1 2.95Å; E328-I371 HydrophobicContact CB-CB 4.07Å; E328-L375 HydrophobicContact CB-CB 4.24Å; E328-L375 HydrophobicContact CG-CB 3.79Å; E328-L375 HydrophobicContact CG-CD1 4.18Å; E328-I378 HydrophobicContact CG-CD1 4.12Å; E328-I378 VanDerWaalsContact OE1-CD1 3.23Å; E328-I378 WeakPolarHBondContact OE1-CD1 3.23Å; E328-V388 PolarHBondContact N-O 3.3Å; E328-A389 HydrophobicContact CB-CB 4.46Å; E328-A389 CarbonylContact O-C 3.53Å; E328-A389 VanDerWaalsContact O-CA 3.28Å; E328-A389 WeakPolarHBondContact O-CA 3.36Å; E328-G390 PolarHBondContact O-N 3.48Å
329I98.7Very high98.1Very high1 Ų127 Ų271%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-105118.7172.3-57.1-179.7000107.8I310 E331 N340 L344 I346 L351 N352 G390I310-I329 HydrophobicContact CD1-CD1 3.78Å; I310-I329 HydrophobicContact CD1-CG1 3.88Å; I329-E331 PolarHBondContact O-N 3.26Å; I329-E331 VanDerWaalsContact O-N 3.16Å; I329-N340 HydrophobicContact CD1-CB 4.01Å; I329-N340 HydrophobicContact CG2-CB 4.37Å; I329-L344 HydrophobicContact CD1-CD1 4.35Å; I329-I346 HydrophobicContact CD1-CD1 3.71Å; I329-L351 HydrophobicContact CB-CD1 3.82Å; I329-L351 HydrophobicContact CD1-CD1 3.92Å; I329-L351 HydrophobicContact CG1-CD1 3.66Å; I329-N352 PolarHBondContact N-OD1 2.92Å; I329-N352 PolarHBondContact O-ND2 3.37Å; I329-N352 PolarHBondContact O-OD1 3.44Å; I329-G390 WeakPolarHBondContact CA-O 3.28Å
330N98.6Very high98.1Very high1 Ų126.3 Ų26.31%0.00514%0.14CC..  trans-58.6121.5-176.5-176.571.3000111.7A332 H362 I371 G390 V391N330-A332 VanDerWaalsContact C-N 3.31Å; N330-A332 PolarHBondContact ND2-N 2.91Å; N330-A332 PolarHBondContact O-N 2.94Å; N330-H362 PolarHBondContact ND2-CE1 2.89Å; N330-H362 PolarHBondContact ND2-ND1 3.09Å; N330-I371 HydrophobicContact CB-CD1 4.35Å; N330-I371 HydrophobicContact CB-CG2 4.35Å; N330-G390 PolarHBondContact N-O 3.48Å; N330-V391 HydrophobicContact CB-CB 3.9Å; N330-V391 HydrophobicContact CB-CG2 3.73Å
331E98.4Very high98.2Very high0 Ų021.8 Ų21.80%012%0.119CC..  trans-84.369.8179.4-46.1168.8174.200109.8Y191 S195 S261 I329 F333 A337 N352 G356 G357 V358Y191-E331 HydrophobicContact CE1-CG 4.07Å; Y191-E331 PolarHBondContact OH-OE1 3.42Å; S195-E331 VanDerWaalsContact OG-CD 3.3Å; S195-E331 PolarHBondContact OG-OE1 3.39Å; S195-E331 VanDerWaalsContact OG-OE1 3.13Å; S195-E331 PolarHBondContact OG-OE2 3.09Å; S261-E331 WeakPolarHBondContact CB-O 3.26Å; I329-E331 PolarHBondContact O-N 3.26Å; I329-E331 VanDerWaalsContact O-N 3.16Å; E331-F333 PolarHBondContact O-N 3.04Å; E331-A337 HydrophobicContact CG-CB 4.14Å; E331-N352 WeakPolarHBondContact CG-ND2 3.34Å; E331-N352 PolarHBondContact OE1-ND2 3.49Å; E331-G356 PolarHBondContact OE1-N 3.26Å; E331-G356 VanDerWaalsContact OE2-CA 3.27Å; E331-G356 WeakPolarHBondContact OE2-CA 3.42Å; E331-G356 PolarHBondContact OE2-N 2.97Å; E331-G357 CarbonylContact O-C 3.56Å; E331-G357 PolarHBondContact OE2-N 3.34Å; E331-V358 HydrophobicContact CB-CB 4.27Å; E331-V358 HydrophobicContact CB-CG2 3.72Å; E331-V358 PolarHBondContact O-N 3.28Å; E331-V358 WeakPolarHBondContact OE2-CB 3.38Å; E331-V358 PolarHBondContact OE2-N 3.31Å
332A97.7Very high98.4Very high4 Ų424.5 Ų24.53%0.03312%0.124CC..SBendtrans-57.2-40170.200000110.1S261 N330S261-A332 WeakPolarHBondContact CB-O 3.38Å; S261-A332 PolarHBondContact N-O 3.39Å; S261-A332 PolarHBondContact OG-O 3.41Å; N330-A332 VanDerWaalsContact C-N 3.31Å; N330-A332 PolarHBondContact ND2-N 2.91Å; N330-A332 PolarHBondContact O-N 2.94Å
333F98.6Very high98.5Very high18 Ų1824 Ų248%0.07911%0.113CC..BIsolated β-bridgetrans-140.5153.9169-56.9-89.3000108.4M170 A174 F249 V255 S260 F302 E331 V335 V336M170-F333 HydrophobicContact CB-CE2 4.3Å; M170-F333 HydrophobicContact CB-CZ 4.34Å; A174-F333 HydrophobicContact CB-CB 3.98Å; A174-F333 HydrophobicContact CB-CD1 3.85Å; A174-F333 HydrophobicContact CB-CD2 3.62Å; A174-F333 HydrophobicContact CB-CE1 4.26Å; A174-F333 HydrophobicContact CB-CE2 4.04Å; A174-F333 HydrophobicContact CB-CG 3.52Å; A174-F333 HydrophobicContact CB-CZ 4.35Å; F249-F333 AromaticContact CE2-CE1 3.77Å; F249-F333 HydrophobicContact CE2-CE1 3.77Å; F249-F333 HydrophobicContact CZ-CE1 4.04Å; V255-F333 HydrophobicContact CG1-CD1 3.65Å; V255-F333 HydrophobicContact CG1-CE1 4.05Å; S260-F333 VanDerWaalsContact OG-CD1 3.26Å; S260-F333 WeakPolarHBondContact OG-CD1 3.28Å; F302-F333 HydrophobicContact CZ-CE2 4.41Å; E331-F333 PolarHBondContact O-N 3.04Å; F333-V335 HydrophobicContact CB-CG1 3.88Å; F333-V335 PolarHBondContact O-N 2.92Å; F333-V336 HydrophobicContact CB-CG2 4.16Å; F333-V336 HydrophobicContact CD2-CG2 4.22Å; F333-V336 WeakPolarHBondContact O-CB 3.26Å; F333-V336 PolarHBondContact O-N 2.85Å
334S98.7Very high98.5Very high0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-58.2-38.7178.4-61.70000111.9Q188 N259 V336 A337 L338Q188-S334 PolarHBondContact O-OG 3.07Å; N259-S334 WeakPolarHBondContact O-CB 3.18Å; N259-S334 PolarHBondContact O-N 3.15Å; N259-S334 PolarHBondContact O-OG 3.4Å; S334-V336 VanDerWaalsContact C-N 3.25Å; S334-V336 PolarHBondContact O-N 3.09Å; S334-A337 PolarHBondContact O-N 2.71Å; S334-L338 WeakPolarHBondContact O-CG 3.32Å; S334-L338 PolarHBondContact O-N 3.23Å
335V98.7Very high98.5Very high0 Ų024.6 Ų24.60%013%0.134CC..Hα-helixtrans-59.4-32.7175.868.10000113.2A174 C177 A178 I183 Q188 F333 L338 A339A174-V335 HydrophobicContact CB-CG1 3.81Å; C177-V335 HydrophobicContact CB-CG1 4.49Å; C177-V335 HydrophobicContact CB-CG2 4.19Å; A178-V335 HydrophobicContact CB-CG2 3.86Å; I183-V335 HydrophobicContact CB-CG2 4.18Å; I183-V335 HydrophobicContact CD1-CG2 3.8Å; I183-V335 HydrophobicContact CG2-CG2 4.29Å; Q188-V335 HydrophobicContact CG-CB 4.16Å; F333-V335 HydrophobicContact CB-CG1 3.88Å; F333-V335 PolarHBondContact O-N 2.92Å; V335-L338 PolarHBondContact O-N 3.26Å; V335-A339 WeakPolarHBondContact O-CB 3.36Å; V335-A339 PolarHBondContact O-N 3.2Å
336V98.7Very high98.5Very high0 Ų022.7 Ų22.70%012%0.124CC..Hα-helixtrans-63.2-46.9176.9170.20000110T303 F333 S334 N340T303-V336 HydrophobicContact CG2-CG2 3.84Å; F333-V336 HydrophobicContact CB-CG2 4.16Å; F333-V336 HydrophobicContact CD2-CG2 4.22Å; F333-V336 WeakPolarHBondContact O-CB 3.26Å; F333-V336 PolarHBondContact O-N 2.85Å; S334-V336 VanDerWaalsContact C-N 3.25Å; S334-V336 PolarHBondContact O-N 3.09Å; V336-N340 PolarHBondContact O-N 3.44Å; V336-N340 VanDerWaalsContact O-N 3.17Å; V336-N340 PolarHBondContact O-ND2 3.46Å
337A98.6Very high98.4Very high0 Ų024.2 Ų24.20%014%0.139CC..Hα-helixtrans-66.8-45.1178.900000111.6Y191 E331 S334 Q341Y191-A337 HydrophobicContact CE1-CB 3.72Å; Y191-A337 HydrophobicContact CE2-CB 4.09Å; Y191-A337 WeakPolarHBondContact OH-CB 3.35Å; E331-A337 HydrophobicContact CG-CB 4.14Å; S334-A337 PolarHBondContact O-N 2.71Å; A337-Q341 WeakPolarHBondContact O-CB 3.34Å; A337-Q341 PolarHBondContact O-N 3.13Å
338L98.7Very high98.1Very high29 Ų2927.2 Ų27.215%0.15216%0.161CC..Hα-helixtrans-61-46.4178.6-72.4169.1000112.7I183 E187 Q188 Y191 S334 V335 Q341 K342I183-L338 HydrophobicContact CD1-CB 3.9Å; I183-L338 HydrophobicContact CG2-CB 4.33Å; I183-L338 HydrophobicContact CG2-CD1 3.68Å; E187-L338 HydrophobicContact CB-CD1 4.35Å; Q188-L338 HydrophobicContact CG-CD1 4.2Å; Y191-L338 HydrophobicContact CD2-CD2 3.61Å; Y191-L338 HydrophobicContact CD2-CG 3.9Å; Y191-L338 HydrophobicContact CE2-CD2 4.4Å; Y191-L338 HydrophobicContact CG-CD1 4.33Å; Y191-L338 HydrophobicContact CG-CD2 4.1Å; Y191-L338 HydrophobicContact CG-CG 4Å; S334-L338 WeakPolarHBondContact O-CG 3.32Å; S334-L338 PolarHBondContact O-N 3.23Å; V335-L338 PolarHBondContact O-N 3.26Å; L338-Q341 PolarHBondContact O-N 2.68Å; L338-K342 WeakPolarHBondContact O-CB 3.38Å; L338-K342 PolarHBondContact O-N 2.74Å
339A98.7Very high98Very high0 Ų029.4 Ų29.40%018%0.184CC..Hα-helixtrans-64-47.5-18000000111.6C177 I183 T304 V335 Q341 K342 L343C177-A339 VanDerWaalsContact SG-CB 3.6Å; I183-A339 HydrophobicContact CD1-CB 3.84Å; T304-A339 HydrophobicContact CG2-CB 4.28Å; V335-A339 WeakPolarHBondContact O-CB 3.36Å; V335-A339 PolarHBondContact O-N 3.2Å; A339-Q341 VanDerWaalsContact C-N 3.34Å; A339-Q341 PolarHBondContact O-N 3.03Å; A339-K342 PolarHBondContact O-N 2.82Å; A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 VanDerWaalsContact O-CG 3.27Å; A339-L343 WeakPolarHBondContact O-CG 3.11Å; A339-L343 PolarHBondContact O-N 2.8Å
340N98.8Very high97.9Very high0 Ų032.3 Ų32.30%020%0.197CC..Hα-helixtrans-67.5-35.2177.8-71.9-76.9000112T303 T304 P306 A307 I329 V336 L343 L344T303-N340 PolarHBondContact O-ND2 3.04Å; T304-N340 PolarHBondContact O-OD1 3.01Å; P306-N340 WeakPolarHBondContact CB-OD1 3.42Å; A307-N340 WeakPolarHBondContact CB-OD1 3.45Å; A307-N340 PolarHBondContact N-OD1 3.07Å; I329-N340 HydrophobicContact CD1-CB 4.01Å; I329-N340 HydrophobicContact CG2-CB 4.37Å; V336-N340 PolarHBondContact O-N 3.44Å; V336-N340 VanDerWaalsContact O-N 3.17Å; V336-N340 PolarHBondContact O-ND2 3.46Å; N340-L343 PolarHBondContact O-N 2.84Å; N340-L344 VanDerWaalsContact O-CB 3.25Å; N340-L344 WeakPolarHBondContact O-CB 3.39Å; N340-L344 WeakPolarHBondContact O-CG 3.47Å; N340-L344 PolarHBondContact O-N 3.2Å
341Q98.4Very high97.9Very high34 Ų3432.3 Ų32.316%0.15920%0.197CC..Hα-helixtrans-59.4-46.7173.2-172.7-1756.300111.4A337 L338 A339 G345 I346 S348 L351A337-Q341 WeakPolarHBondContact O-CB 3.34Å; A337-Q341 PolarHBondContact O-N 3.13Å; L338-Q341 PolarHBondContact O-N 2.68Å; A339-Q341 VanDerWaalsContact C-N 3.34Å; A339-Q341 PolarHBondContact O-N 3.03Å; Q341-G345 PolarHBondContact O-N 3.07Å; Q341-I346 HydrophobicContact CG-CB 4.08Å; Q341-I346 WeakPolarHBondContact CG-O 3.3Å; Q341-I346 PolarHBondContact NE2-O 2.9Å; Q341-I346 PolarHBondContact O-N 3.03Å; Q341-S348 VanDerWaalsContact NE2-CA 3.27Å; Q341-L351 HydrophobicContact CB-CD2 3.84Å; Q341-L351 HydrophobicContact CG-CD2 3.94Å
342K98.3Very high97.9Very high134 Ų13432.3 Ų32.358%0.58320%0.197SC*.Hα-helixtrans-62.8-50.1177.1179.3177.1176.6175.60111.5H181 L338 A339 L344 G345H181-K342 PolarHBondContact O-NZ 2.76Å; L338-K342 WeakPolarHBondContact O-CB 3.38Å; L338-K342 PolarHBondContact O-N 2.74Å; A339-K342 PolarHBondContact O-N 2.82Å; K342-L344 VanDerWaalsContact C-N 3.32Å; K342-L344 PolarHBondContact O-N 3.5Å; K342-G345 PolarHBondContact O-N 2.9Å
343L98.4Very high97.9Very high89 Ų8934 Ų3447%0.46621%0.205SC..Hα-helixtrans-63.7-35.5-177.9-71.6170.5000113.1T304 A307 A339 N340T304-L343 HydrophobicContact CG2-CD1 3.93Å; A307-L343 HydrophobicContact CB-CB 3.98Å; A307-L343 HydrophobicContact CB-CD1 3.92Å; A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 VanDerWaalsContact O-CG 3.27Å; A339-L343 WeakPolarHBondContact O-CG 3.11Å; A339-L343 PolarHBondContact O-N 2.8Å; N340-L343 PolarHBondContact O-N 2.84Å
344L98.3Very high97.9Very high40 Ų4033.5 Ų33.521%0.20920%0.204CC..Hα-helixtrans-93.7-4.1-178.6-65.4172000113.6A307 I310 P311 I329 N340 K342 I346A307-L344 HydrophobicContact CB-CD2 4.27Å; A307-L344 HydrophobicContact CB-CG 4.2Å; I310-L344 HydrophobicContact CB-CD1 4.09Å; I310-L344 HydrophobicContact CD1-CD1 3.71Å; I310-L344 HydrophobicContact CG2-CD1 4.03Å; P311-L344 HydrophobicContact CG-CD2 3.56Å; I329-L344 HydrophobicContact CD1-CD1 4.35Å; N340-L344 VanDerWaalsContact O-CB 3.25Å; N340-L344 WeakPolarHBondContact O-CB 3.39Å; N340-L344 WeakPolarHBondContact O-CG 3.47Å; N340-L344 PolarHBondContact O-N 3.2Å; K342-L344 VanDerWaalsContact C-N 3.32Å; K342-L344 PolarHBondContact O-N 3.5Å; L344-I346 VanDerWaalsContact C-N 3.3Å; L344-I346 HydrophobicContact CB-CD1 3.74Å; L344-I346 HydrophobicContact CB-CG1 3.74Å; L344-I346 HydrophobicContact CD1-CD1 3.79Å; L344-I346 HydrophobicContact CG-CD1 4.43Å; L344-I346 PolarHBondContact O-N 3.36Å
345G97.9Very high97.8Very high63 Ų6333.5 Ų33.565%0.64920%0.204SC*.THydrogen-bonded Turntrans61.435.4-177.100000113.5Q341 K342 P347Q341-G345 PolarHBondContact O-N 3.07Å; K342-G345 PolarHBondContact O-N 2.9Å; G345-P347 WeakPolarHBondContact O-CD 3.38Å
346I98.1Very high97.8Very high8 Ų833.5 Ų33.54%0.04120%0.204CC..  trans-79.5123.5-175.6-63.2165.4000110.2Y327 I329 Q341 L344 S348 K350 L351Y327-I346 HydrophobicContact CD1-CD1 3.75Å; Y327-I346 HydrophobicContact CD1-CG1 4.42Å; Y327-I346 HydrophobicContact CD2-CD1 4.3Å; Y327-I346 HydrophobicContact CD2-CG1 4.29Å; Y327-I346 HydrophobicContact CD2-CG2 3.69Å; Y327-I346 HydrophobicContact CE1-CD1 3.97Å; Y327-I346 HydrophobicContact CE1-CG1 4.29Å; Y327-I346 HydrophobicContact CE2-CD1 4.49Å; Y327-I346 HydrophobicContact CE2-CG1 4.16Å; Y327-I346 HydrophobicContact CE2-CG2 4.08Å; Y327-I346 HydrophobicContact CG-CD1 3.92Å; Y327-I346 HydrophobicContact CG-CG1 4.41Å; Y327-I346 HydrophobicContact CG-CG2 4.18Å; I329-I346 HydrophobicContact CD1-CD1 3.71Å; Q341-I346 HydrophobicContact CG-CB 4.08Å; Q341-I346 WeakPolarHBondContact CG-O 3.3Å; Q341-I346 PolarHBondContact NE2-O 2.9Å; Q341-I346 PolarHBondContact O-N 3.03Å; L344-I346 VanDerWaalsContact C-N 3.3Å; L344-I346 HydrophobicContact CB-CD1 3.74Å; L344-I346 HydrophobicContact CB-CG1 3.74Å; L344-I346 HydrophobicContact CD1-CD1 3.79Å; L344-I346 HydrophobicContact CG-CD1 4.43Å; L344-I346 PolarHBondContact O-N 3.36Å; I346-S348 PolarHBondContact O-N 2.71Å; I346-K350 HydrophobicContact CG2-CB 4.3Å; I346-L351 HydrophobicContact CG2-CB 4.09Å
347P96.6Very high97.7Very high74 Ų7433.5 Ų33.548%0.48120%0.204SC..  trans-59.1138.7174-23.934.4000112.1G345 G349 K350G345-P347 WeakPolarHBondContact O-CD 3.38Å; P347-G349 PolarHBondContact O-N 3.18Å; P347-G349 VanDerWaalsContact O-N 3.15Å; P347-K350 HydrophobicContact CB-CG 4.32Å; P347-K350 HydrophobicContact CG-CD 4.24Å; P347-K350 PolarHBondContact O-N 3.19Å
348S92.3Very high97.7Very high75 Ų7534.1 Ų34.152%0.52421%0.208SC..G310 helixtrans-58.4-30.4-177.357.90000114.2R198 Q341 I346 K350R198-S348 PolarHBondContact NH2-O 2.77Å; Q341-S348 VanDerWaalsContact NE2-CA 3.27Å; I346-S348 PolarHBondContact O-N 2.71Å; S348-K350 PolarHBondContact O-N 2.99Å
349G96.2Very high97.6Very high47 Ų4732.8 Ų32.849%0.48520%0.201SC..G310 helixtrans-76.64.5174.800000115P347 L353P347-G349 PolarHBondContact O-N 3.18Å; P347-G349 VanDerWaalsContact O-N 3.15Å; G349-L353 WeakPolarHBondContact O-CD2 3.42Å
350K98Very high97.6Very high62 Ų6232.8 Ų32.827%0.2720%0.201SC..G310 helixtrans-116.3-9.9177.4-67.1-168162.4-165.50114.2I324 D325 Y326 Y327 I346 P347 S348I324-K350 PolarHBondContact O-NZ 3.29Å; D325-K350 WeakPolarHBondContact O-CD 3.4Å; D325-K350 WeakPolarHBondContact O-CE 3.4Å; D325-K350 VanDerWaalsContact O-CG 3.23Å; D325-K350 WeakPolarHBondContact O-CG 3.5Å; Y326-K350 CarbonylContact C-O 3.59Å; Y326-K350 WeakPolarHBondContact CA-O 3.29Å; Y327-K350 HydrophobicContact CD2-CB 4.25Å; Y327-K350 PolarHBondContact N-O 3.02Å; I346-K350 HydrophobicContact CG2-CB 4.3Å; P347-K350 HydrophobicContact CB-CG 4.32Å; P347-K350 HydrophobicContact CG-CD 4.24Å; P347-K350 PolarHBondContact O-N 3.19Å; S348-K350 PolarHBondContact O-N 2.99Å
351L98.4Very high97.6Very high2 Ų232.8 Ų32.81%0.0120%0.201CC..BIsolated β-bridgetrans-106.7129.6-173.5178.162.7000111.5R198 Y327 I329 Q341 I346 L353R198-L351 PolarHBondContact NH1-O 3.28Å; Y327-L351 WeakPolarHBondContact O-CA 3.3Å; I329-L351 HydrophobicContact CB-CD1 3.82Å; I329-L351 HydrophobicContact CD1-CD1 3.92Å; I329-L351 HydrophobicContact CG1-CD1 3.66Å; Q341-L351 HydrophobicContact CB-CD2 3.84Å; Q341-L351 HydrophobicContact CG-CD2 3.94Å; I346-L351 HydrophobicContact CG2-CB 4.09Å; L351-L353 PolarHBondContact O-N 2.74Å
352N98.3Very high97.6Very high0 Ų031.7 Ų31.70%020%0.196CC..  trans47.157170.7-58.4-5.1000113Y191 R198 Y327 E328 I329 E331 S354 G355Y191-N352 PolarHBondContact OH-ND2 2.96Å; R198-N352 WeakPolarHBondContact CD-O 3.16Å; R198-N352 PolarHBondContact NH1-O 2.82Å; Y327-N352 PolarHBondContact O-N 2.86Å; E328-N352 VanDerWaalsContact CA-OD1 3.29Å; E328-N352 WeakPolarHBondContact CA-OD1 3.32Å; E328-N352 WeakPolarHBondContact OE1-CA 3.48Å; I329-N352 PolarHBondContact N-OD1 2.92Å; I329-N352 PolarHBondContact O-ND2 3.37Å; I329-N352 PolarHBondContact O-OD1 3.44Å; E331-N352 WeakPolarHBondContact CG-ND2 3.34Å; E331-N352 PolarHBondContact OE1-ND2 3.49Å; N352-S354 PolarHBondContact O-N 3.17Å; N352-G355 PolarHBondContact O-N 2.78Å; N352-G355 VanDerWaalsContact O-N 3.13Å
353L97.5Very high97.6Very high38 Ų3825.3 Ų25.320%0.19917%0.168CC..THydrogen-bonded Turntrans-70.6-14.4-172.8-68.7-168.2000114.4Y326 G349 L351 I378 K382Y326-L353 HydrophobicContact CD1-CD1 3.39Å; Y326-L353 HydrophobicContact CD1-CG 4.18Å; Y326-L353 HydrophobicContact CE1-CD1 3.3Å; Y326-L353 HydrophobicContact CE1-CG 4.48Å; Y326-L353 HydrophobicContact CG-CD1 4.39Å; G349-L353 WeakPolarHBondContact O-CD2 3.42Å; L351-L353 PolarHBondContact O-N 2.74Å; L353-I378 HydrophobicContact CB-CD1 4.26Å; L353-I378 HydrophobicContact CB-CG1 4.46Å; L353-I378 HydrophobicContact CB-CG2 4.18Å; L353-I378 HydrophobicContact CD1-CG2 4.19Å; L353-K382 HydrophobicContact CD1-CG 4.35Å
354S97.3Very high97.6Very high8 Ų821.1 Ų21.16%0.05615%0.146CC..THydrogen-bonded Turntrans-110.920.3174.2-59.50000112A199 F208 N352 I378A199-S354 VanDerWaalsContact CA-O 3.24Å; A199-S354 WeakPolarHBondContact CA-O 3.38Å; A199-S354 WeakPolarHBondContact CB-O 3.48Å; F208-S354 WeakPolarHBondContact CZ-O 3.38Å; N352-S354 PolarHBondContact O-N 3.17Å; S354-I378 WeakPolarHBondContact OG-CG1 3.5Å
355G97.6Very high97.6Very high0 Ų019.2 Ų19.20%014%0.136CC..  trans72.8179.4-168.700000112.1S195 N352S195-G355 WeakPolarHBondContact O-CA 3.26Å; N352-G355 PolarHBondContact O-N 2.78Å; N352-G355 VanDerWaalsContact O-N 3.13Å
356G97.6Very high97.6Very high1 Ų116.3 Ų16.31%0.0111%0.106CC..  trans-147.9-148.4-175.700000113.1S195 E331 V358 S359 L360S195-G356 PolarHBondContact OG-N 2.91Å; S195-G356 VanDerWaalsContact OG-N 3.14Å; E331-G356 PolarHBondContact OE1-N 3.26Å; E331-G356 VanDerWaalsContact OE2-CA 3.27Å; E331-G356 WeakPolarHBondContact OE2-CA 3.42Å; E331-G356 PolarHBondContact OE2-N 2.97Å; G356-V358 VanDerWaalsContact C-N 3.26Å; G356-V358 PolarHBondContact O-N 3.48Å; G356-S359 PolarHBondContact N-OG 3.1Å; G356-S359 VanDerWaalsContact N-OG 3.15Å; G356-S359 PolarHBondContact O-N 2.97Å; G356-S359 PolarHBondContact O-OG 3.12Å; G356-L360 VanDerWaalsContact O-CB 3.31Å; G356-L360 WeakPolarHBondContact O-CB 3.22Å; G356-L360 PolarHBondContact O-N 3.27Å
357G97.5Very high97.6Very high0 Ų015.9 Ų15.90%010%0.104CC..Hα-helixtrans-60.6-29.5-17400000114.8S261 E331 G361S261-G357 WeakPolarHBondContact CA-O 3.43Å; S261-G357 WeakPolarHBondContact CB-O 3.49Å; E331-G357 CarbonylContact O-C 3.56Å; E331-G357 PolarHBondContact OE2-N 3.34Å; G357-G361 CarbonylContact O-C 3.57Å; G357-G361 VanDerWaalsContact O-CA 3.24Å; G357-G361 WeakPolarHBondContact O-CA 3.26Å; G357-G361 PolarHBondContact O-N 2.92Å
358V98.1Very high97.7Very high12 Ų1212.4 Ų12.47%0.0738%0.081CC..Hα-helixtrans-72.8-32.6179.5170.30000111.4A192 E331 G356A192-V358 HydrophobicContact CB-CG1 3.67Å; E331-V358 HydrophobicContact CB-CB 4.27Å; E331-V358 HydrophobicContact CB-CG2 3.72Å; E331-V358 PolarHBondContact O-N 3.28Å; E331-V358 WeakPolarHBondContact OE2-CB 3.38Å; E331-V358 PolarHBondContact OE2-N 3.31Å; G356-V358 VanDerWaalsContact C-N 3.26Å; G356-V358 PolarHBondContact O-N 3.48Å
359S97.9Very high98Very high1 Ų18.8 Ų8.81%0.0076%0.056CC..Hα-helixtrans-94.8-40.2178.954.10000113.6S195 A199 S233 L234 G356S195-S359 WeakPolarHBondContact O-CB 3.36Å; S195-S359 PolarHBondContact O-OG 2.92Å; S195-S359 VanDerWaalsContact O-OG 3.14Å; S195-S359 PolarHBondContact OG-OG 3.32Å; A199-S359 WeakPolarHBondContact CB-OG 3.23Å; S233-S359 VanDerWaalsContact CB-O 3.3Å; S233-S359 WeakPolarHBondContact CB-O 3.28Å; S233-S359 PolarHBondContact OG-O 3.18Å; L234-S359 WeakPolarHBondContact CD2-O 3.37Å; G356-S359 PolarHBondContact N-OG 3.1Å; G356-S359 VanDerWaalsContact N-OG 3.15Å; G356-S359 PolarHBondContact O-N 2.97Å; G356-S359 PolarHBondContact O-OG 3.12Å
360L97.9Very high98.2Very high1 Ų16.6 Ų6.61%0.0053%0.033CC..Hα-helixtrans-92.2-27.1-174.9-60.2171.6000113.3I27 A199 F208 D231 L234 G356I27-L360 WeakPolarHBondContact CB-O 3.42Å; I27-L360 HydrophobicContact CD1-CB 4.05Å; I27-L360 WeakPolarHBondContact CG2-O 3.4Å; A199-L360 HydrophobicContact CB-CD2 3.93Å; A199-L360 HydrophobicContact CB-CG 4.33Å; F208-L360 HydrophobicContact CE2-CD2 4.04Å; F208-L360 HydrophobicContact CZ-CD1 4.19Å; F208-L360 HydrophobicContact CZ-CD2 3.91Å; D231-L360 HydrophobicContact CB-CD2 4.26Å; L234-L360 HydrophobicContact CD1-CD2 3.96Å; L234-L360 HydrophobicContact CD2-CD2 4.18Å; L234-L360 HydrophobicContact CG-CD2 4.3Å; G356-L360 VanDerWaalsContact O-CB 3.31Å; G356-L360 WeakPolarHBondContact O-CB 3.22Å; G356-L360 PolarHBondContact O-N 3.27Å
361G98Very high98.2Very high0 Ų03.7 Ų3.70%02%0.02CC..  trans105166-173.800000114.2S262 S264 G357S262-G361 WeakPolarHBondContact OG-CA 3.3Å; S264-G361 VanDerWaalsContact OG-CA 3.26Å; S264-G361 WeakPolarHBondContact OG-CA 3.43Å; G357-G361 CarbonylContact O-C 3.57Å; G357-G361 VanDerWaalsContact O-CA 3.24Å; G357-G361 WeakPolarHBondContact O-CA 3.26Å; G357-G361 PolarHBondContact O-N 2.92Å
362H98.5Very high98.2Very high10 Ų103.6 Ų3.65%0.0462%0.02CC..  trans-132.173.7-171.1-171.140.1000113.5C101 S261 S262 S264 N330 I364 S367C101-H362 PolarHBondContact SG-NE2 2.82Å; S261-H362 VanDerWaalsContact CB-CB 3.45Å; S261-H362 VanDerWaalsContact OG-CB 3.29Å; S261-H362 WeakPolarHBondContact OG-CB 3.22Å; S262-H362 PolarHBondContact O-N 3.41Å; S262-H362 VanDerWaalsContact O-N 3.16Å; S264-H362 PolarHBondContact OG-N 3.13Å; N330-H362 PolarHBondContact ND2-CE1 2.89Å; N330-H362 PolarHBondContact ND2-ND1 3.09Å; H362-I364 PolarHBondContact O-N 3.36Å; H362-S367 WeakPolarHBondContact CE1-CB 3.49Å; H362-S367 PolarHBondContact CE1-OG 3.18Å; H362-S367 WeakPolarHBondContact ND1-CB 3.39Å; H362-S367 PolarHBondContact ND1-OG 3.28Å
363P98.5Very high98.2Very high0 Ų03.6 Ų3.60%02%0.02CC..  trans-66.9102.116927.6-31.7000108.9I27 E129 S264 G365 C366 S367I27-P363 HydrophobicContact CG2-CG 4.46Å; E129-P363 HydrophobicContact CB-CB 3.92Å; S264-P363 WeakPolarHBondContact O-CA 3.29Å; P363-G365 PolarHBondContact O-N 3.05Å; P363-C366 HydrophobicContact CB-CB 4Å; P363-C366 HydrophobicContact CG-CB 3.9Å; P363-C366 WeakPolarHBondContact O-CA 3.19Å; P363-C366 WeakPolarHBondContact O-CB 3.13Å; P363-C366 PolarHBondContact O-N 3.27Å; P363-S367 PolarHBondContact O-N 3.4Å; P363-S367 PolarHBondContact O-OG 3.43Å
364I98.3Very high98.3Very high1 Ų11.8 Ų1.81%0.0051%0.011CC..Hα-helixtrans-57.6-47.2-158.857176.7000113.8V69 L70 C101 E129 M131 L161 H362 C366V69-I364 HydrophobicContact CB-CD1 3.78Å; V69-I364 HydrophobicContact CB-CG1 3.98Å; V69-I364 HydrophobicContact CG1-CD1 3.81Å; V69-I364 HydrophobicContact CG2-CB 4.49Å; V69-I364 HydrophobicContact CG2-CD1 4.09Å; V69-I364 HydrophobicContact CG2-CG1 3.93Å; L70-I364 HydrophobicContact CD1-CD1 4.36Å; L70-I364 HydrophobicContact CD2-CD1 4.4Å; L70-I364 HydrophobicContact CG-CD1 4.16Å; C101-I364 CarbonylContact C-O 3.54Å; C101-I364 VanDerWaalsContact CA-O 3.31Å; C101-I364 WeakPolarHBondContact CA-O 3.33Å; E129-I364 HydrophobicContact CG-CG1 3.91Å; E129-I364 WeakPolarHBondContact OE2-CG1 3.4Å; M131-I364 HydrophobicContact CE-CD1 4.31Å; M131-I364 HydrophobicContact CE-CG1 4.45Å; M131-I364 HydrophobicContact CE-CG2 4.14Å; M131-I364 HydrophobicContact SD-CG1 4.46Å; M131-I364 HydrophobicContact SD-CG2 4.22Å; L161-I364 HydrophobicContact CD2-CG2 4.43Å; H362-I364 PolarHBondContact O-N 3.36Å; I364-C366 VanDerWaalsContact C-N 3.27Å; I364-C366 PolarHBondContact O-N 3.48Å
365G98.6Very high98.4Very high0 Ų01.4 Ų1.40%01%0.008CC..Hα-helixtrans-67.6-21.7176.900000115.2G104 G127 E129 P363G104-G365 WeakPolarHBondContact CA-O 3.43Å; G104-G365 PolarHBondContact N-O 3.34Å; G127-G365 WeakPolarHBondContact CA-O 3.3Å; E129-G365 VanDerWaalsContact OE2-CA 3.24Å; E129-G365 WeakPolarHBondContact OE2-CA 3.46Å; E129-G365 PolarHBondContact OE2-N 3.03Å; P363-G365 PolarHBondContact O-N 3.05Å
366C98.6Very high98.4Very high2 Ų21.4 Ų1.41%0.0141%0.008CC..Hα-helixtrans-92.3-32.8-178.2169.10000113.2G266 A267 A268 P363 I364 G368 A369 R370G266-C366 WeakPolarHBondContact O-CB 3.42Å; A267-C366 WeakPolarHBondContact CA-SG 3.46Å; A268-C366 PolarHBondContact N-SG 3.2Å; A268-C366 VanDerWaalsContact N-SG 3.41Å; P363-C366 HydrophobicContact CB-CB 4Å; P363-C366 HydrophobicContact CG-CB 3.9Å; P363-C366 WeakPolarHBondContact O-CA 3.19Å; P363-C366 WeakPolarHBondContact O-CB 3.13Å; P363-C366 PolarHBondContact O-N 3.27Å; I364-C366 VanDerWaalsContact C-N 3.27Å; I364-C366 PolarHBondContact O-N 3.48Å; C366-G368 VanDerWaalsContact C-N 3.31Å; C366-G368 PolarHBondContact O-N 3.44Å; C366-G368 VanDerWaalsContact O-N 3.1Å; C366-A369 WeakPolarHBondContact O-CA 3.48Å; C366-A369 WeakPolarHBondContact O-CB 3.49Å; C366-A369 PolarHBondContact O-N 3.16Å; C366-R370 PolarHBondContact O-N 3.41Å
367S98.6Very high98.3Very high0 Ų01.4 Ų1.40%01%0.008CC..Hα-helixtrans-58.3-37.2-159.9-69.60000114.7H362 P363 A369 R370 I371H362-S367 WeakPolarHBondContact CE1-CB 3.49Å; H362-S367 PolarHBondContact CE1-OG 3.18Å; H362-S367 WeakPolarHBondContact ND1-CB 3.39Å; H362-S367 PolarHBondContact ND1-OG 3.28Å; P363-S367 PolarHBondContact O-N 3.4Å; P363-S367 PolarHBondContact O-OG 3.43Å; S367-A369 VanDerWaalsContact C-N 3.31Å; S367-A369 PolarHBondContact O-N 3.48Å; S367-R370 PolarHBondContact O-N 3.38Å; S367-I371 WeakPolarHBondContact O-CG1 3.2Å; S367-I371 PolarHBondContact O-N 3.17Å
368G98.7Very high98.3Very high0 Ų01.5 Ų1.50%01%0.008CC..Hα-helixtrans-60.6-35.3174.200000114.4C366 I371 I372C366-G368 VanDerWaalsContact C-N 3.31Å; C366-G368 PolarHBondContact O-N 3.44Å; C366-G368 VanDerWaalsContact O-N 3.1Å; G368-I371 VanDerWaalsContact O-CG1 3.26Å; G368-I371 WeakPolarHBondContact O-CG1 3.39Å; G368-I372 WeakPolarHBondContact O-CD1 3.18Å; G368-I372 WeakPolarHBondContact O-CG1 3.33Å
369A98.9Very high98.2Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-78.1-39.9173.900000111.3A268 C366 S367 I371 I372 V373A268-A369 HydrophobicContact CB-CB 3.98Å; C366-A369 WeakPolarHBondContact O-CA 3.48Å; C366-A369 WeakPolarHBondContact O-CB 3.49Å; C366-A369 PolarHBondContact O-N 3.16Å; S367-A369 VanDerWaalsContact C-N 3.31Å; S367-A369 PolarHBondContact O-N 3.48Å; A369-I371 PolarHBondContact O-N 2.99Å; A369-I372 WeakPolarHBondContact O-CB 3.23Å; A369-I372 PolarHBondContact O-N 3.37Å; A369-I372 VanDerWaalsContact O-N 3.11Å; A369-V373 WeakPolarHBondContact O-CG2 3.42Å; A369-V373 PolarHBondContact O-N 3.03Å; A369-V373 VanDerWaalsContact O-N 3.1Å
370R98.8Very high98.1Very high1 Ų16.6 Ų6.60%0.0043%0.026CC..Hα-helixtrans-55.3-47.3177.7-170-80.4-59.4153.91.5112I27 A268 E328 C366 S367 I372 V373 T374I27-R370 HydrophobicContact CD1-CG 4.18Å; A268-R370 HydrophobicContact CB-CB 4.34Å; E328-R370 IonicContact OE2-NH1 2.73Å; E328-R370 PolarHBondContact OE2-NH1 2.95Å; C366-R370 PolarHBondContact O-N 3.41Å; S367-R370 PolarHBondContact O-N 3.38Å; R370-I372 VanDerWaalsContact C-N 3.29Å; R370-I372 PolarHBondContact O-N 3.02Å; R370-V373 PolarHBondContact O-N 2.9Å; R370-T374 PolarHBondContact O-N 2.93Å; R370-T374 PolarHBondContact O-OG1 2.91Å
371I98.7Very high97.8Very high0 Ų011 Ų110%05%0.046CC..Hα-helixtrans-64.4-31178.959.9169.5000113M105 E328 N330 S367 G368 A369 L375 A389 G390 V391M105-I371 HydrophobicContact CE-CD1 3.65Å; M105-I371 HydrophobicContact CE-CG1 4.04Å; E328-I371 HydrophobicContact CB-CB 4.07Å; N330-I371 HydrophobicContact CB-CD1 4.35Å; N330-I371 HydrophobicContact CB-CG2 4.35Å; S367-I371 WeakPolarHBondContact O-CG1 3.2Å; S367-I371 PolarHBondContact O-N 3.17Å; G368-I371 VanDerWaalsContact O-CG1 3.26Å; G368-I371 WeakPolarHBondContact O-CG1 3.39Å; A369-I371 PolarHBondContact O-N 2.99Å; I371-L375 WeakPolarHBondContact O-CB 3.42Å; I371-L375 PolarHBondContact O-N 3.15Å; I371-A389 HydrophobicContact CD1-CB 3.92Å; I371-A389 HydrophobicContact CG1-CB 4.05Å; I371-G390 WeakPolarHBondContact CD1-O 3.43Å; I371-V391 HydrophobicContact CD1-CB 3.93Å; I371-V391 HydrophobicContact CD1-CG1 4.36Å
372I98.8Very high97.6Very high0 Ų016.7 Ų16.70%07%0.071CC..Hα-helixtrans-67-45.2174.1-63.9165.7000109.7M105 V108 I270 G368 A369 R370 L375 L376 A389 L401 V403M105-I372 HydrophobicContact CE-CD1 4.17Å; M105-I372 HydrophobicContact CE-CG1 4.06Å; M105-I372 HydrophobicContact CG-CD1 4.12Å; V108-I372 HydrophobicContact CB-CD1 4.36Å; V108-I372 HydrophobicContact CG1-CD1 4.29Å; V108-I372 HydrophobicContact CG2-CD1 4.24Å; I270-I372 HydrophobicContact CD1-CB 3.96Å; I270-I372 HydrophobicContact CD1-CD1 4.36Å; I270-I372 HydrophobicContact CD1-CG2 3.59Å; G368-I372 WeakPolarHBondContact O-CD1 3.18Å; G368-I372 WeakPolarHBondContact O-CG1 3.33Å; A369-I372 WeakPolarHBondContact O-CB 3.23Å; A369-I372 PolarHBondContact O-N 3.37Å; A369-I372 VanDerWaalsContact O-N 3.11Å; R370-I372 VanDerWaalsContact C-N 3.29Å; R370-I372 PolarHBondContact O-N 3.02Å; I372-L375 PolarHBondContact O-N 2.88Å; I372-L376 HydrophobicContact CG2-CD1 4.46Å; I372-L376 WeakPolarHBondContact O-CG 3.25Å; I372-L376 PolarHBondContact O-N 2.79Å; I372-L376 VanDerWaalsContact O-N 3.09Å; I372-A389 HydrophobicContact CG1-CB 3.92Å; I372-L401 HydrophobicContact CD1-CD1 4.09Å; I372-L401 HydrophobicContact CD1-CD2 4.4Å; I372-V403 HydrophobicContact CG2-CG1 4.49Å
373V98.7Very high97.3Very high0 Ų023.6 Ų23.60%011%0.108CC..Hα-helixtrans-59.5-50.5177.5177.60000110.3V22 W210 E211 A268 I270 A369 R370 L375 L376 G377V22-V373 HydrophobicContact CB-CG1 4.2Å; V22-V373 HydrophobicContact CB-CG2 4.04Å; V22-V373 HydrophobicContact CG1-CG2 4.39Å; V22-V373 HydrophobicContact CG2-CG1 4.07Å; W210-V373 WeakPolarHBondContact CZ2-O 3.35Å; E211-V373 HydrophobicContact CB-CG1 3.46Å; E211-V373 VanDerWaalsContact CB-CG1 3.46Å; E211-V373 HydrophobicContact CG-CG1 4.44Å; A268-V373 HydrophobicContact CB-CG2 4.41Å; I270-V373 HydrophobicContact CD1-CG2 4.28Å; I270-V373 HydrophobicContact CG1-CG2 4.1Å; A369-V373 WeakPolarHBondContact O-CG2 3.42Å; A369-V373 PolarHBondContact O-N 3.03Å; A369-V373 VanDerWaalsContact O-N 3.1Å; R370-V373 PolarHBondContact O-N 2.9Å; V373-L375 PolarHBondContact O-N 2.85Å; V373-L376 PolarHBondContact O-N 3.38Å; V373-G377 PolarHBondContact O-N 3.35Å
374T98.6Very high97.2Very high1 Ų123.9 Ų23.91%0.00611%0.112CC..Hα-helixtrans-62.4-39.7178.5-56.40000112.5F208 E211 R370 L376 G377 I378F208-T374 HydrophobicContact CE1-CG2 4.29Å; E211-T374 PolarHBondContact OE1-OG1 3.32Å; E211-T374 VanDerWaalsContact OE1-OG1 3.12Å; E211-T374 WeakPolarHBondContact OE2-CA 3.31Å; R370-T374 PolarHBondContact O-N 2.93Å; R370-T374 PolarHBondContact O-OG1 2.91Å; T374-L376 VanDerWaalsContact C-N 3.33Å; T374-L376 PolarHBondContact O-N 3.31Å; T374-G377 WeakPolarHBondContact O-CA 3.35Å; T374-G377 PolarHBondContact O-N 3.47Å; T374-I378 HydrophobicContact CG2-CD1 4.24Å; T374-I378 WeakPolarHBondContact O-CG1 3.4Å; T374-I378 PolarHBondContact O-N 3.12Å
375L98.6Very high97.1Very high0 Ų026.8 Ų26.80%012%0.124CC..Hα-helixtrans-58.1-43.4175.6178.562.2000112.4E328 I371 I372 V373 G377 I378 L379 A389 V403E328-L375 HydrophobicContact CB-CB 4.24Å; E328-L375 HydrophobicContact CG-CB 3.79Å; E328-L375 HydrophobicContact CG-CD1 4.18Å; I371-L375 WeakPolarHBondContact O-CB 3.42Å; I371-L375 PolarHBondContact O-N 3.15Å; I372-L375 PolarHBondContact O-N 2.88Å; V373-L375 PolarHBondContact O-N 2.85Å; L375-G377 PolarHBondContact O-N 2.95Å; L375-I378 PolarHBondContact O-N 3.39Å; L375-L379 HydrophobicContact CD1-CG 4.49Å; L375-L379 HydrophobicContact CG-CD1 4.19Å; L375-L379 WeakPolarHBondContact O-CG 3.48Å; L375-L379 PolarHBondContact O-N 2.94Å; L375-A389 HydrophobicContact CD2-CB 3.94Å; L375-V403 HydrophobicContact CD2-CG2 3.77Å; L375-V403 HydrophobicContact CG-CG2 4.25Å
376L98.2Very high97.1Very high0 Ų027.6 Ų27.60%013%0.128CC..Hα-helixtrans-61.9-35.9176-67.8170.6000111.2I19 V22 W210 A287 I372 V373 T374 R380 V403I19-L376 HydrophobicContact CD1-CD1 3.99Å; I19-L376 HydrophobicContact CG2-CD1 4.07Å; V22-L376 HydrophobicContact CG1-CD1 3.91Å; W210-L376 HydrophobicContact CH2-CB 3.64Å; W210-L376 HydrophobicContact CH2-CD1 4.47Å; W210-L376 HydrophobicContact CZ2-CB 3.8Å; A287-L376 HydrophobicContact CB-CD2 3.42Å; A287-L376 VanDerWaalsContact CB-CD2 3.42Å; I372-L376 HydrophobicContact CG2-CD1 4.46Å; I372-L376 WeakPolarHBondContact O-CG 3.25Å; I372-L376 PolarHBondContact O-N 2.79Å; I372-L376 VanDerWaalsContact O-N 3.09Å; V373-L376 PolarHBondContact O-N 3.38Å; T374-L376 VanDerWaalsContact C-N 3.33Å; T374-L376 PolarHBondContact O-N 3.31Å; L376-R380 VanDerWaalsContact O-CG 3.23Å; L376-R380 WeakPolarHBondContact O-CG 3.49Å; L376-R380 PolarHBondContact O-N 3.04Å; L376-V403 HydrophobicContact CD2-CB 4.24Å; L376-V403 HydrophobicContact CD2-CG1 4.47Å; L376-V403 HydrophobicContact CD2-CG2 3.97Å
377G96.6Very high97.1Very high0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-64.3-47.217500000111.4V373 T374 L375 L379 R380 H381V373-G377 PolarHBondContact O-N 3.35Å; T374-G377 WeakPolarHBondContact O-CA 3.35Å; T374-G377 PolarHBondContact O-N 3.47Å; L375-G377 PolarHBondContact O-N 2.95Å; G377-L379 PolarHBondContact O-N 2.89Å; G377-R380 PolarHBondContact O-N 2.85Å; G377-H381 PolarHBondContact O-CD2 2.96Å; G377-H381 PolarHBondContact O-N 2.8Å
378I96.6Very high97.1Very high3 Ų327.5 Ų27.52%0.01513%0.128CC..Hα-helixtrans-57.6-50176.2-67.2166.5000110.7Y326 E328 L353 S354 T374 L375 R380 H381 K382Y326-I378 HydrophobicContact CD1-CG2 4.18Å; Y326-I378 HydrophobicContact CD2-CG2 3.88Å; Y326-I378 HydrophobicContact CE2-CG2 4.49Å; Y326-I378 HydrophobicContact CG-CG2 3.71Å; E328-I378 HydrophobicContact CG-CD1 4.12Å; E328-I378 VanDerWaalsContact OE1-CD1 3.23Å; E328-I378 WeakPolarHBondContact OE1-CD1 3.23Å; L353-I378 HydrophobicContact CB-CD1 4.26Å; L353-I378 HydrophobicContact CB-CG1 4.46Å; L353-I378 HydrophobicContact CB-CG2 4.18Å; L353-I378 HydrophobicContact CD1-CG2 4.19Å; S354-I378 WeakPolarHBondContact OG-CG1 3.5Å; T374-I378 HydrophobicContact CG2-CD1 4.24Å; T374-I378 WeakPolarHBondContact O-CG1 3.4Å; T374-I378 PolarHBondContact O-N 3.12Å; L375-I378 PolarHBondContact O-N 3.39Å; I378-R380 VanDerWaalsContact C-N 3.31Å; I378-R380 PolarHBondContact O-N 3.06Å; I378-H381 PolarHBondContact O-N 3.49Å; I378-K382 HydrophobicContact CG2-CG 4.25Å; I378-K382 VanDerWaalsContact O-CB 3.26Å; I378-K382 WeakPolarHBondContact O-CB 3.22Å; I378-K382 WeakPolarHBondContact O-CG 3.26Å; I378-K382 PolarHBondContact O-N 3.16Å
379L96.9Very high97.1Very high0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-56.4-45.4178.6-72.1165.8000111.4Y326 L375 G377 N383 G384 V403 L405Y326-L379 HydrophobicContact CD2-CD2 3.94Å; L375-L379 HydrophobicContact CD1-CG 4.49Å; L375-L379 HydrophobicContact CG-CD1 4.19Å; L375-L379 WeakPolarHBondContact O-CG 3.48Å; L375-L379 PolarHBondContact O-N 2.94Å; G377-L379 PolarHBondContact O-N 2.89Å; L379-N383 PolarHBondContact O-N 2.84Å; L379-N383 VanDerWaalsContact O-N 3.1Å; L379-G384 PolarHBondContact O-N 3.45Å; L379-V403 HydrophobicContact CD1-CG2 3.73Å; L379-L405 HydrophobicContact CB-CB 4.37Å; L379-L405 HydrophobicContact CB-CD1 4.35Å; L379-L405 HydrophobicContact CB-CD2 4.19Å
380R94.4Very high97.1Very high119 Ų11927.5 Ų27.545%0.44913%0.128SC..Hα-helixtrans-63.4-45.6178-71.9176.668.8-159.6-2.3112.9L376 G377 I378 L405L376-R380 VanDerWaalsContact O-CG 3.23Å; L376-R380 WeakPolarHBondContact O-CG 3.49Å; L376-R380 PolarHBondContact O-N 3.04Å; G377-R380 PolarHBondContact O-N 2.85Å; I378-R380 VanDerWaalsContact C-N 3.31Å; I378-R380 PolarHBondContact O-N 3.06Å; R380-L405 HydrophobicContact CG-CD1 3.67Å; R380-L405 HydrophobicContact CG-CD2 4.04Å
381H93Very high97.1Very high94 Ų9427.4 Ų27.444%0.43513%0.127SC..Hα-helixtrans-77.6-22.7-176.5-77.9-69.3000113.7G377 I378G377-H381 PolarHBondContact O-CD2 2.96Å; G377-H381 PolarHBondContact O-N 2.8Å; I378-H381 PolarHBondContact O-N 3.49Å
382K93.5Very high97.1Very high120 Ų12027.5 Ų27.552%0.52213%0.128SC..THydrogen-bonded Turntrans-108.410-177.4-60.7-63.6-172.8-178.40113.7Y326 L353 I378 G384Y326-K382 HydrophobicContact CD2-CB 4.44Å; Y326-K382 HydrophobicContact CE1-CB 4.5Å; Y326-K382 HydrophobicContact CE2-CB 3.49Å; Y326-K382 VanDerWaalsContact CE2-CB 3.49Å; Y326-K382 HydrophobicContact CE2-CG 4.36Å; Y326-K382 WeakPolarHBondContact OH-CB 3.38Å; L353-K382 HydrophobicContact CD1-CG 4.35Å; I378-K382 HydrophobicContact CG2-CG 4.25Å; I378-K382 VanDerWaalsContact O-CB 3.26Å; I378-K382 WeakPolarHBondContact O-CB 3.22Å; I378-K382 WeakPolarHBondContact O-CG 3.26Å; I378-K382 PolarHBondContact O-N 3.16Å; K382-G384 PolarHBondContact O-N 3.38Å
383N91.9Very high97.1Very high154 Ų15428 Ų2882%0.82413%0.131SC*.THydrogen-bonded Turntrans52.634.6-176.5-61.4-30.6000113L379L379-N383 PolarHBondContact O-N 2.84Å; L379-N383 VanDerWaalsContact O-N 3.1Å
384G95.9Very high97.1Very high7 Ų728.6 Ų28.67%0.07214%0.137CC..  trans-82.4152.8173.800000111.1L379 K382 L405L379-G384 PolarHBondContact O-N 3.45Å; K382-G384 PolarHBondContact O-N 3.38Å; G384-L405 WeakPolarHBondContact O-CD2 3.22Å
385K97.2Very high97Very high62 Ų6230.2 Ų30.227%0.2715%0.154SC..SBendtrans-105.3-44.7179.6-172.763.9174.5177.10111.7D8 D325 E404 L405D8-K385 IonicContact OD2-NZ 2.74Å; D8-K385 PolarHBondContact OD2-NZ 3.47Å; D325-K385 WeakPolarHBondContact OD2-CA 3.5Å; D325-K385 PolarHBondContact OD2-N 2.95Å; K385-E404 HydrophobicContact CD-CG 4.15Å; K385-E404 VanDerWaalsContact CE-OE1 3.29Å; K385-E404 WeakPolarHBondContact CE-OE1 3.5Å; K385-E404 HydrophobicContact CG-CG 4.18Å; K385-E404 IonicContact NZ-OE1 3.79Å; K385-E404 CarbonylContact O-C 3.5Å; K385-E404 VanDerWaalsContact O-CA 3.26Å; K385-E404 WeakPolarHBondContact O-CA 3.45Å; K385-L405 VanDerWaalsContact CD-O 3.3Å; K385-L405 WeakPolarHBondContact CD-O 3.4Å; K385-L405 VanDerWaalsContact CE-O 3.29Å; K385-L405 WeakPolarHBondContact CE-O 3.45Å; K385-L405 PolarHBondContact NZ-O 3.45Å; K385-L405 PolarHBondContact O-N 3.16Å
386I98.4Very high96.9Very high16 Ų1630.2 Ų30.28%0.08215%0.154CC..EExtended strand (participates in β ladder)trans-121.4127.9-174.4-54.2-178.1000110.4L319 Q323 I324 D325 Y326 V402 V403 E404L319-I386 HydrophobicContact CD1-CD1 3.9Å; L319-I386 HydrophobicContact CD1-CG2 3.82Å; L319-I386 HydrophobicContact CD2-CD1 3.94Å; Q323-I386 HydrophobicContact CB-CD1 4.47Å; I324-I386 HydrophobicContact CD1-CG2 3.55Å; D325-I386 WeakPolarHBondContact CB-O 3.39Å; D325-I386 PolarHBondContact N-O 3.01Å; D325-I386 PolarHBondContact OD2-N 3.46Å; Y326-I386 PolarHBondContact N-O 3.34Å; I386-V402 HydrophobicContact CG2-CG1 3.92Å; I386-V403 WeakPolarHBondContact CA-O 3.27Å; I386-E404 HydrophobicContact CG1-CG 4.44Å
387G98.7Very high97Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-129155.3176.300000113Y326 V402 V403Y326-G387 VanDerWaalsContact O-CA 3.23Å; Y326-G387 WeakPolarHBondContact O-CA 3.27Å; G387-V402 WeakPolarHBondContact O-CA 3.39Å; G387-V403 PolarHBondContact N-O 2.93Å; G387-V403 PolarHBondContact O-N 3.26Å
388V98.8Very high97.1Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-126127.8174.3-1740000110.8I310 V314 I324 Y326 Y327 E328 L401 V402I310-V388 HydrophobicContact CG1-CG1 4.13Å; I310-V388 HydrophobicContact CG2-CG1 4.08Å; V314-V388 HydrophobicContact CG2-CG2 3.78Å; I324-V388 HydrophobicContact CB-CG2 4.44Å; I324-V388 HydrophobicContact CD1-CG2 3.64Å; I324-V388 HydrophobicContact CG1-CG2 3.87Å; I324-V388 HydrophobicContact CG2-CB 4.36Å; I324-V388 HydrophobicContact CG2-CG2 3.71Å; Y326-V388 PolarHBondContact O-N 2.92Å; Y327-V388 CarbonylContact C-O 3.54Å; Y327-V388 VanDerWaalsContact CA-O 3.3Å; Y327-V388 WeakPolarHBondContact CA-O 3.43Å; Y327-V388 HydrophobicContact CD1-CB 3.95Å; Y327-V388 HydrophobicContact CE1-CB 4.13Å; Y327-V388 HydrophobicContact CE1-CG2 4.29Å; E328-V388 PolarHBondContact N-O 3.3Å; V388-L401 WeakPolarHBondContact CA-O 3.47Å; V388-V402 HydrophobicContact CG1-CG2 4.49Å; V388-V402 HydrophobicContact CG2-CG1 4.25Å; V388-V402 HydrophobicContact CG2-CG2 4.06Å
389A98.9Very high97.2Very high0 Ų030.4 Ų30.40%016%0.156CC..EExtended strand (participates in β ladder)trans-102.7137.2169.600000109.7M105 E328 I371 I372 L375 A400 L401M105-A389 HydrophobicContact CE-CB 3.65Å; E328-A389 HydrophobicContact CB-CB 4.46Å; E328-A389 CarbonylContact O-C 3.53Å; E328-A389 VanDerWaalsContact O-CA 3.28Å; E328-A389 WeakPolarHBondContact O-CA 3.36Å; I371-A389 HydrophobicContact CD1-CB 3.92Å; I371-A389 HydrophobicContact CG1-CB 4.05Å; I372-A389 HydrophobicContact CG1-CB 3.92Å; L375-A389 HydrophobicContact CD2-CB 3.94Å; A389-A400 CarbonylContact O-C 3.57Å; A389-A400 WeakPolarHBondContact O-CA 3.43Å; A389-L401 PolarHBondContact N-O 2.97Å; A389-L401 PolarHBondContact O-N 2.92Å
390G98.8Very high97.3Very high0 Ų030.4 Ų30.40%016%0.156CC..EExtended strand (participates in β ladder)trans-139.5135.1177.400000112.1E328 I329 N330 I371 S399E328-G390 PolarHBondContact O-N 3.48Å; I329-G390 WeakPolarHBondContact CA-O 3.28Å; N330-G390 PolarHBondContact N-O 3.48Å; I371-G390 WeakPolarHBondContact CD1-O 3.43Å; G390-S399 WeakPolarHBondContact CA-O 3.42Å
391V98.8Very high97.5Very high0 Ų024.8 Ų24.80%014%0.135CC..EExtended strand (participates in β ladder)trans-138.9124.7179.8560000110.2C101 S102 M105 N330 I371 A398 S399C101-V391 HydrophobicContact CB-CG2 4.15Å; C101-V391 WeakPolarHBondContact O-CG2 3.46Å; S102-V391 PolarHBondContact OG-O 3.07Å; S102-V391 VanDerWaalsContact OG-O 3.09Å; M105-V391 HydrophobicContact CB-CG1 4.08Å; M105-V391 HydrophobicContact CE-CG1 3.89Å; M105-V391 HydrophobicContact SD-CG1 3.91Å; N330-V391 HydrophobicContact CB-CB 3.9Å; N330-V391 HydrophobicContact CB-CG2 3.73Å; I371-V391 HydrophobicContact CD1-CB 3.93Å; I371-V391 HydrophobicContact CD1-CG1 4.36Å; V391-A398 CarbonylContact O-C 3.42Å; V391-A398 VanDerWaalsContact O-CA 3.23Å; V391-A398 WeakPolarHBondContact O-CA 3.47Å; V391-A398 WeakPolarHBondContact O-CB 3.48Å; V391-S399 PolarHBondContact N-O 3.25Å; V391-S399 PolarHBondContact O-N 3.38Å
392C98.5Very high97.8Very high1 Ų120.3 Ų20.31%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-74.8163.1169.664.20000110.8C101 F302 P306 G397C101-C392 WeakPolarHBondContact CB-O 3.38Å; F302-C392 HydrophobicContact CD2-CB 3.81Å; F302-C392 HydrophobicContact CE2-CB 4.43Å; F302-C392 WeakPolarHBondContact O-CB 3.08Å; P306-C392 HydrophobicContact CG-CB 3.74Å; C392-G397 CarbonylContact C-O 3.52Å; C392-G397 WeakPolarHBondContact CA-O 3.44Å
393N98.7Very high98Very high12 Ų1214.6 Ų14.66%0.0649%0.089CC..EExtended strand (participates in β ladder)trans-142.7143.7174.268.7-106.3000111.4K99 V100 C101 S102 F302 G396 G397 A398K99-N393 PolarHBondContact NZ-OD1 3.44Å; K99-N393 VanDerWaalsContact O-CB 3.31Å; K99-N393 WeakPolarHBondContact O-CB 3.49Å; V100-N393 HydrophobicContact CB-CB 4.14Å; C101-N393 HydrophobicContact CB-CB 4.22Å; S102-N393 WeakPolarHBondContact OG-CB 3.5Å; S102-N393 PolarHBondContact OG-OD1 3.08Å; S102-N393 VanDerWaalsContact OG-OD1 3.07Å; F302-N393 VanDerWaalsContact CB-O 3.29Å; F302-N393 WeakPolarHBondContact CB-O 3.43Å; N393-G396 PolarHBondContact O-N 3.03Å; N393-G397 PolarHBondContact N-O 3.02Å; N393-G397 PolarHBondContact O-N 3.4Å; N393-G397 WeakPolarHBondContact OD1-CA 3.4Å; N393-G397 PolarHBondContact OD1-O 3.19Å; N393-A398 PolarHBondContact OD1-N 3.07Å
394G97.1Very high98.3Very high12 Ų128.2 Ų8.212%0.1246%0.055CC..THydrogen-bonded Turntrans-50.3147173.100000111.9
395G96.9Very high98.4Very high35 Ų359.1 Ų9.136%0.3616%0.058SC..THydrogen-bonded Turntrans85.111.8-171.300000115
396G97.8Very high98.2Very high0 Ų06.7 Ų6.70%05%0.048CC..THydrogen-bonded Turntrans99.4-1.7168.200000115.9A296 Q297 P299 T305 N393A296-G396 WeakPolarHBondContact CA-O 3.39Å; Q297-G396 PolarHBondContact N-O 3.41Å; P299-G396 PolarHBondContact O-N 3.33Å; T305-G396 WeakPolarHBondContact CG2-O 3.29Å; T305-G396 PolarHBondContact OG1-O 2.91Å; N393-G396 PolarHBondContact O-N 3.03Å
397G98.6Very high97.1Very high7 Ų712.4 Ų12.47%0.0727%0.074CC..EExtended strand (participates in β ladder)trans-90.9166.5-172.600000115A295 C392 N393A295-G397 CarbonylContact O-C 3.48Å; A295-G397 WeakPolarHBondContact O-CA 3.21Å; C392-G397 CarbonylContact C-O 3.52Å; C392-G397 WeakPolarHBondContact CA-O 3.44Å; N393-G397 PolarHBondContact N-O 3.02Å; N393-G397 PolarHBondContact O-N 3.4Å; N393-G397 WeakPolarHBondContact OD1-CA 3.4Å; N393-G397 PolarHBondContact OD1-O 3.19Å
398A98.9Very high95.3Very high0 Ų017 Ų170%010%0.104CC..EExtended strand (participates in β ladder)trans-148.4164.4159.600000110.8K99 D294 A295 T305 P306 A309 V391 N393K99-A398 PolarHBondContact NZ-O 3.48Å; K99-A398 VanDerWaalsContact NZ-O 3.14Å; D294-A398 WeakPolarHBondContact CA-O 3.47Å; A295-A398 PolarHBondContact N-O 2.95Å; A295-A398 VanDerWaalsContact N-O 3.15Å; A295-A398 PolarHBondContact O-N 3.22Å; T305-A398 HydrophobicContact CG2-CB 3.63Å; P306-A398 HydrophobicContact CG-CB 4.08Å; A309-A398 HydrophobicContact CB-CB 3.97Å; V391-A398 CarbonylContact O-C 3.42Å; V391-A398 VanDerWaalsContact O-CA 3.23Å; V391-A398 WeakPolarHBondContact O-CA 3.47Å; V391-A398 WeakPolarHBondContact O-CB 3.48Å; N393-A398 PolarHBondContact OD1-N 3.07Å
399S98.9Very high92.8Very high0 Ų018.4 Ų18.40%011%0.114CC..EExtended strand (participates in β ladder)trans-132.6142.4171.8-62.40000108.7K99 S102 A293 D294 G390 V391K99-S399 PolarHBondContact NZ-OG 3.04Å; S102-S399 WeakPolarHBondContact CB-OG 3.21Å; A293-S399 WeakPolarHBondContact O-CA 3.21Å; D294-S399 WeakPolarHBondContact OD1-CB 3.18Å; D294-S399 PolarHBondContact OD1-OG 2.8Å; G390-S399 WeakPolarHBondContact CA-O 3.42Å; V391-S399 PolarHBondContact N-O 3.25Å; V391-S399 PolarHBondContact O-N 3.38Å
400A98.9Very high89.8Confident0 Ų026.3 Ų26.30%016%0.155CC..EExtended strand (participates in β ladder)trans-138.1146.6175.500000112M109 Y292 A293 A309 I310 A313 A389M109-A400 WeakPolarHBondContact CE-O 3.11Å; Y292-A400 CarbonylContact C-O 3.51Å; Y292-A400 WeakPolarHBondContact CA-O 3.47Å; Y292-A400 WeakPolarHBondContact CB-O 3.4Å; A293-A400 PolarHBondContact N-O 3.41Å; A293-A400 PolarHBondContact O-N 2.87Å; A309-A400 HydrophobicContact CB-CB 3.89Å; I310-A400 HydrophobicContact CB-CB 4.48Å; I310-A400 HydrophobicContact CG1-CB 3.84Å; A313-A400 HydrophobicContact CB-CB 3.8Å; A389-A400 CarbonylContact O-C 3.57Å; A389-A400 WeakPolarHBondContact O-CA 3.43Å
401L98.9Very high86.9Confident0 Ų033 Ų330%018%0.184CC..EExtended strand (participates in β ladder)trans-140.7132.8-175.7-172.3148.9000110.6M105 V108 M109 I289 I372 V388 A389 V403M105-L401 HydrophobicContact CE-CB 4.46Å; M105-L401 HydrophobicContact CG-CB 4.4Å; M105-L401 HydrophobicContact SD-CB 4.14Å; V108-L401 HydrophobicContact CB-CD1 4.45Å; V108-L401 HydrophobicContact CG1-CD1 3.73Å; M109-L401 HydrophobicContact CE-CB 4.49Å; M109-L401 HydrophobicContact CG-CD1 4.43Å; I289-L401 HydrophobicContact CD1-CD1 4.2Å; I289-L401 HydrophobicContact CG1-CD2 4.31Å; I289-L401 HydrophobicContact CG2-CD1 4.18Å; I289-L401 HydrophobicContact CG2-CD2 4.21Å; I289-L401 HydrophobicContact CG2-CG 4.07Å; I372-L401 HydrophobicContact CD1-CD1 4.09Å; I372-L401 HydrophobicContact CD1-CD2 4.4Å; V388-L401 WeakPolarHBondContact CA-O 3.47Å; A389-L401 PolarHBondContact N-O 2.97Å; A389-L401 PolarHBondContact O-N 2.92Å; L401-V403 HydrophobicContact CD2-CG1 3.38Å
402V98.9Very high83.7Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-102.9126.8178.3-170.50000109.3R290 G291 A313 V314 A317 L319 I386 G387 V388R290-V402 HydrophobicContact CB-CB 4.28Å; R290-V402 HydrophobicContact CB-CG1 4.12Å; R290-V402 PolarHBondContact N-O 3.45Å; G291-V402 PolarHBondContact O-N 3.2Å; A313-V402 HydrophobicContact CB-CG2 4.01Å; A313-V402 WeakPolarHBondContact O-CG2 3.45Å; V314-V402 HydrophobicContact CG2-CG2 4.2Å; A317-V402 HydrophobicContact CB-CB 4.05Å; A317-V402 HydrophobicContact CB-CG1 4.08Å; A317-V402 HydrophobicContact CB-CG2 4.04Å; L319-V402 HydrophobicContact CD1-CG1 4Å; I386-V402 HydrophobicContact CG2-CG1 3.92Å; G387-V402 WeakPolarHBondContact O-CA 3.39Å; V388-V402 HydrophobicContact CG1-CG2 4.49Å; V388-V402 HydrophobicContact CG2-CG1 4.25Å; V388-V402 HydrophobicContact CG2-CG2 4.06Å
403V98.7Very high80.9Confident0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-115.4148.4173.5-650000110.6I19 A287 R288 I372 L375 L376 L379 I386 G387 L401I19-V403 HydrophobicContact CD1-CG1 4.04Å; A287-V403 HydrophobicContact CB-CB 4.48Å; R288-V403 WeakPolarHBondContact O-CA 3.45Å; I372-V403 HydrophobicContact CG2-CG1 4.49Å; L375-V403 HydrophobicContact CD2-CG2 3.77Å; L375-V403 HydrophobicContact CG-CG2 4.25Å; L376-V403 HydrophobicContact CD2-CB 4.24Å; L376-V403 HydrophobicContact CD2-CG1 4.47Å; L376-V403 HydrophobicContact CD2-CG2 3.97Å; L379-V403 HydrophobicContact CD1-CG2 3.73Å; I386-V403 WeakPolarHBondContact CA-O 3.27Å; G387-V403 PolarHBondContact N-O 2.93Å; G387-V403 PolarHBondContact O-N 3.26Å; L401-V403 HydrophobicContact CD2-CG1 3.38Å
404E98Very high77.6Confident20 Ų2052.5 Ų52.59%0.09329%0.286CS..EExtended strand (participates in β ladder)trans-120.1121167.5178.3-178.8171.100109.4A287 R288 R290 K385 I386 M406A287-E404 CarbonylContact C-O 3.52Å; A287-E404 WeakPolarHBondContact CA-O 3.29Å; A287-E404 VanDerWaalsContact CB-O 3.28Å; A287-E404 WeakPolarHBondContact CB-O 3.37Å; R288-E404 HydrophobicContact CG-CB 3.94Å; R288-E404 IonicContact CZ-OE1 2.69Å; R288-E404 IonicContact CZ-OE2 3.36Å; R288-E404 PolarHBondContact N-O 3.32Å; R288-E404 IonicContact NE-OE1 3.09Å; R288-E404 IonicContact NE-OE2 3.85Å; R288-E404 PolarHBondContact NE-OE2 3.13Å; R288-E404 IonicContact NH2-OE1 2.72Å; R288-E404 PolarHBondContact NH2-OE1 3.25Å; R288-E404 IonicContact NH2-OE2 2.62Å; R288-E404 PolarHBondContact NH2-OE2 2.89Å; R288-E404 PolarHBondContact O-N 3.35Å; R290-E404 VanDerWaalsContact CD-OE2 3.28Å; R290-E404 WeakPolarHBondContact CD-OE2 3.3Å; R290-E404 HydrophobicContact CG-CB 3.71Å; R290-E404 IonicContact CZ-OE2 2.85Å; R290-E404 IonicContact NE-OE2 2.73Å; R290-E404 IonicContact NH1-OE2 3.7Å; R290-E404 PolarHBondContact NH1-OE2 3.17Å; K385-E404 HydrophobicContact CD-CG 4.15Å; K385-E404 VanDerWaalsContact CE-OE1 3.29Å; K385-E404 WeakPolarHBondContact CE-OE1 3.5Å; K385-E404 HydrophobicContact CG-CG 4.18Å; K385-E404 IonicContact NZ-OE1 3.79Å; K385-E404 CarbonylContact O-C 3.5Å; K385-E404 VanDerWaalsContact O-CA 3.26Å; K385-E404 WeakPolarHBondContact O-CA 3.45Å; I386-E404 HydrophobicContact CG1-CG 4.44Å; E404-M406 PolarHBondContact O-N 3.33Å
405L97Very high74.8Confident27 Ų2757.3 Ų57.314%0.14132%0.318CS..EExtended strand (participates in β ladder)trans-65.3129.5177.5-165.975.4000109.4I286 L379 R380 G384 K385I286-L405 HydrophobicContact CG2-CD1 4.34Å; I286-L405 WeakPolarHBondContact O-CD1 3.27Å; L379-L405 HydrophobicContact CB-CB 4.37Å; L379-L405 HydrophobicContact CB-CD1 4.35Å; L379-L405 HydrophobicContact CB-CD2 4.19Å; R380-L405 HydrophobicContact CG-CD1 3.67Å; R380-L405 HydrophobicContact CG-CD2 4.04Å; G384-L405 WeakPolarHBondContact O-CD2 3.22Å; K385-L405 VanDerWaalsContact CD-O 3.3Å; K385-L405 WeakPolarHBondContact CD-O 3.4Å; K385-L405 VanDerWaalsContact CE-O 3.29Å; K385-L405 WeakPolarHBondContact CE-O 3.45Å; K385-L405 PolarHBondContact NZ-O 3.45Å; K385-L405 PolarHBondContact O-N 3.16Å
406M94.1Very high71.7Confident11 Ų1166.7 Ų66.75%0.05436%0.359CS..PPolyproline II helixtrans-91.5135.4175.9-59.6-55.8-78.200108.4D8 L12 V285 I286 R288 E404D8-M406 HydrophobicContact CB-CE 3.76Å; D8-M406 WeakPolarHBondContact O-CE 3.24Å; L12-M406 HydrophobicContact CD2-CE 3.84Å; L12-M406 HydrophobicContact CG-CE 4.08Å; V285-M406 HydrophobicContact CB-CB 4.49Å; V285-M406 HydrophobicContact CB-CG 4.45Å; V285-M406 HydrophobicContact CG1-CB 4.12Å; V285-M406 HydrophobicContact CG1-CG 3.63Å; I286-M406 PolarHBondContact O-N 3.25Å; R288-M406 HydrophobicContact CB-SD 4.35Å; R288-M406 HydrophobicContact CG-SD 3.87Å; E404-M406 PolarHBondContact O-N 3.33Å
407Q75.1Confident70.4Confident136 Ų13670 Ų7064%0.63638%0.377SS*.PPolyproline II helixtrans-65.3141.4172.8-69.2-163.3-200109.4D8 S409D8-Q407 PolarHBondContact OD2-N 2.8Å; D8-Q407 VanDerWaalsContact OD2-N 3.07Å; Q407-S409 PolarHBondContact O-N 2.67Å
408P60.5Low68.9Low96 Ų9673.3 Ų73.362%0.62339%0.393SS*.PPolyproline II helixtrans-54118.1173.8-20.830.6000109L410P408-L410 PolarHBondContact O-N 3.3Å
409S47.7Very low67.2Low30 Ų3077.4 Ų77.421%0.2141%0.414CS..PPolyproline II helixtrans-65.8127.4168.546.70000107.8S9 Q407 F411S9-S409 WeakPolarHBondContact OG-CB 3.35Å; Q407-S409 PolarHBondContact O-N 2.67Å; S409-F411 VanDerWaalsContact CB-CD2 3.45Å; S409-F411 VanDerWaalsContact CB-CE2 3.47Å; S409-F411 PolarHBondContact O-N 3.39Å; S409-F411 WeakPolarHBondContact OG-CD2 3.22Å; S409-F411 WeakPolarHBondContact OG-CE2 3.38Å
410L34.8Very low65.3Low166 Ų16681.9 Ų81.987%0.86944%0.439SS*.  trans-68.365.9166.6-76.9158.3000108.8P408 T412P408-L410 PolarHBondContact O-N 3.3Å; L410-T412 VanDerWaalsContact C-N 3.35Å; L410-T412 PolarHBondContact O-N 2.97Å
411F38.3Very low63.2Low139 Ų13987.1 Ų87.161%0.6147%0.466SS*.  trans-87.686.8161.9-69.9-61.1000107.3S9 S409 R413S9-F411 WeakPolarHBondContact OG-CE2 3.44Å; S409-F411 VanDerWaalsContact CB-CD2 3.45Å; S409-F411 VanDerWaalsContact CB-CE2 3.47Å; S409-F411 PolarHBondContact O-N 3.39Å; S409-F411 WeakPolarHBondContact OG-CD2 3.22Å; S409-F411 WeakPolarHBondContact OG-CE2 3.38Å; F411-R413 PolarHBondContact O-N 2.98Å
412T31.7Very low60.9Low127 Ų12792.9 Ų92.978%0.77950%0.497SS*.  trans-56.3107.3157.131.40000107.4L410 S414L410-T412 VanDerWaalsContact C-N 3.35Å; L410-T412 PolarHBondContact O-N 2.97Å; T412-S414 PolarHBondContact O-N 3.41Å
413R39.2Very low58.1Low197 Ų19799.5 Ų99.574%0.74353%0.533SS*.  trans-62.798158.1-80.5-172.8178.6-1751106.2F411 S415F411-R413 PolarHBondContact O-N 2.98Å; R413-S415 PolarHBondContact O-N 2.97Å
414S29.3Very low55Low99 Ų99107.2 Ų107.269%0.69257%0.574SS**  trans-64.892.4159.61730000106.9T412 L416T412-S414 PolarHBondContact O-N 3.41Å; S414-L416 PolarHBondContact O-N 3.43Å
415S38.2Very low51.4Low114 Ų114114.4 Ų114.480%0.79761%0.614SS**  trans-71.5101.1158.554.30000107.5R413R413-S415 PolarHBondContact O-N 2.97Å
416L31.5Very low47.3Very low231 Ų231122.4 Ų122.4100%1.20966%0.657SS**  trans-85.60147.1-85.7165.9000108.3S414S414-L416 PolarHBondContact O-N 3.43Å

Retrieved 416 of 416 residues in 1260 ms (Link to these results)

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