A0A3Q0KF39_SCHMA Loading...

RNase_Zc3h12a domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KF39, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 391 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
1M85.9Confident81.7Confident163 Ų16367.6 Ų67.680%0.80337%0.366SS*.  0166.90-69.4178.8-164.400108.3C39 G40 A42 L45M1-C39 WeakPolarHBondContact O-CA 3.5Å; M1-G40 PolarHBondContact N-O 3.31Å; M1-G40 PolarHBondContact O-N 3.17Å; M1-G40 VanDerWaalsContact O-N 3.11Å; M1-A42 HydrophobicContact CE-CB 4.07Å; M1-A42 HydrophobicContact SD-CB 3.78Å; M1-L45 HydrophobicContact CB-CD1 3.52Å
2S87.4Confident81.7Confident50 Ų5072.8 Ų72.835%0.3539%0.386SS..EExtended strand (participates in β ladder)trans-136139.8173.955.70000111.5I38S2-I38 CarbonylContact C-O 3.55Å; S2-I38 WeakPolarHBondContact CA-O 3.47Å
3V87.5Confident81.9Confident28 Ų2870.5 Ų70.517%0.1737%0.374CS..EExtended strand (participates in β ladder)trans-113.1155.1167.5-63.90000109.4I38 L45 Q49V3-I38 HydrophobicContact CG2-CB 3.84Å; V3-I38 HydrophobicContact CG2-CD1 4.4Å; V3-I38 HydrophobicContact CG2-CG1 4.48Å; V3-I38 PolarHBondContact N-O 3.45Å; V3-I38 PolarHBondContact O-N 3.01Å; V3-L45 HydrophobicContact CG1-CB 4.2Å; V3-L45 HydrophobicContact CG1-CD1 4.25Å; V3-L45 HydrophobicContact CG2-CB 4.41Å; V3-L45 HydrophobicContact CG2-CD2 4.14Å; V3-Q49 HydrophobicContact CG2-CB 4.18Å; V3-Q49 HydrophobicContact CG2-CG 4.3Å
4Y87.8Confident82.4Confident101 Ų10167.6 Ų67.640%0.39636%0.359SS..EExtended strand (participates in β ladder)trans-119.6135.5-179.7-66.9-94.4000109L32 K35 L36 K37 Y195Y4-L32 HydrophobicContact CE1-CD1 4.44Å; Y4-K35 HydrophobicContact CD1-CB 4.33Å; Y4-L36 CarbonylContact C-O 3.42Å; Y4-L36 WeakPolarHBondContact CA-O 3.2Å; Y4-K37 HydrophobicContact CD1-CB 4.09Å; Y4-K37 HydrophobicContact CD1-CG 4.29Å; Y4-K37 HydrophobicContact CE1-CB 3.84Å; Y4-K37 HydrophobicContact CE1-CD 4Å; Y4-K37 HydrophobicContact CE1-CG 3.74Å; Y4-Y195 PolarHBondContact O-OH 3.14Å
5V85.4Confident83Confident0 Ų070.6 Ų70.60%038%0.375CS..EExtended strand (participates in β ladder)trans-120.3118.5171.9179.20000107.8L36 I38 Q49 A52 L53 I56V5-L36 HydrophobicContact CB-CB 4.25Å; V5-L36 PolarHBondContact N-O 3.49Å; V5-L36 PolarHBondContact O-N 2.87Å; V5-I38 HydrophobicContact CG2-CD1 4.26Å; V5-Q49 HydrophobicContact CG2-CG 3.62Å; V5-A52 HydrophobicContact CG2-CB 4.36Å; V5-L53 HydrophobicContact CG1-CD2 3.63Å; V5-L53 HydrophobicContact CG1-CG 4.15Å; V5-L53 HydrophobicContact CG2-CG 4.46Å; V5-I56 HydrophobicContact CG1-CD1 3.4Å; V5-I56 HydrophobicContact CG1-CG1 4.48Å
6T83.6Confident83.5Confident55 Ų5568.6 Ų68.634%0.33737%0.366SS..EExtended strand (participates in β ladder)trans-72.1131.7174.4-55.80000109.5P8 I56T6-P8 WeakPolarHBondContact O-CD 3.48Å; T6-I56 VanDerWaalsContact O-CD1 3.29Å; T6-I56 WeakPolarHBondContact O-CD1 3.41Å
7I82Confident84Confident17 Ų1764.5 Ų64.59%0.08734%0.344CS..  trans-99.897175-54.1-173.5000107.6Y9 T11 L14 L31 D34 L36 I56I7-Y9 WeakPolarHBondContact CG2-O 3.49Å; I7-Y9 PolarHBondContact O-N 2.93Å; I7-T11 WeakPolarHBondContact CG2-OG1 3.48Å; I7-L14 HydrophobicContact CD1-CD2 4.09Å; I7-L31 HydrophobicContact CD1-CD1 3.66Å; I7-D34 PolarHBondContact N-O 2.6Å; I7-L36 HydrophobicContact CD1-CB 4.24Å; I7-L36 HydrophobicContact CG1-CB 4.38Å; I7-I56 HydrophobicContact CG1-CG2 4.38Å
8P72.1Confident84.6Confident70 Ų7064.4 Ų64.446%0.45534%0.34SS..  trans-72.3-12-170.329.1-38.2000114.7T6T6-P8 WeakPolarHBondContact O-CD 3.48Å
9Y75.2Confident85Confident96 Ų9664.1 Ų64.138%0.37634%0.343SS..SBendtrans-146.2154.2-178.32.2-88.3000110.9I7 T11 P58I7-Y9 WeakPolarHBondContact CG2-O 3.49Å; I7-Y9 PolarHBondContact O-N 2.93Å; Y9-T11 PolarHBondContact O-N 2.99Å; Y9-T11 PolarHBondContact O-OG1 3.02Å; Y9-P58 HydrophobicContact CE2-CB 3.99Å; Y9-P58 HydrophobicContact CE2-CG 4.45Å; Y9-P58 VanDerWaalsContact OH-CD 3.31Å; Y9-P58 WeakPolarHBondContact OH-CD 3.39Å; Y9-P58 VanDerWaalsContact OH-CG 3.22Å; Y9-P58 WeakPolarHBondContact OH-CG 3.31Å
10P74.8Confident85.5Confident140 Ų14061.3 Ų61.391%0.90933%0.328SS*.  trans-50.8113.3173-25.334.4000110.8
11T77.2Confident85.9Confident24 Ų2458.4 Ų58.415%0.14731%0.312CS..  trans-107.7125.4-176.8-620000109.2I7 Y9 L14 F55 I56I7-T11 WeakPolarHBondContact CG2-OG1 3.48Å; Y9-T11 PolarHBondContact O-N 2.99Å; Y9-T11 PolarHBondContact O-OG1 3.02Å; T11-L14 HydrophobicContact CG2-CD2 3.92Å; T11-L14 WeakPolarHBondContact O-CG 3.33Å; T11-F55 HydrophobicContact CG2-CD1 4.49Å; T11-F55 HydrophobicContact CG2-CE1 4.42Å; T11-I56 HydrophobicContact CG2-CG2 4.31Å
12E81.5Confident86.2Confident129 Ų12956.8 Ų56.860%0.60330%0.303SS*.SBendtrans-84.2161.1176.5-61.1-179.3175.700112.2L14 K95E12-L14 VanDerWaalsContact C-N 3.34Å; E12-K95 IonicContact OE2-NZ 2.76Å; E12-K95 PolarHBondContact OE2-NZ 3.33Å
13N84.8Confident86.4Confident43 Ų4359.2 Ų59.223%0.2331%0.312CS..  trans6333.1177.2-36-79.6000113.8D15 V16 L17 F55 I93 K95N13-D15 WeakPolarHBondContact CA-OD1 3.38Å; N13-D15 PolarHBondContact O-N 3.38Å; N13-V16 HydrophobicContact CB-CB 4.31Å; N13-V16 HydrophobicContact CB-CG2 3.99Å; N13-V16 WeakPolarHBondContact O-CB 3.33Å; N13-V16 PolarHBondContact O-N 3.27Å; N13-L17 PolarHBondContact O-N 2.82Å; N13-F55 HydrophobicContact CB-CZ 4.33Å; N13-F55 VanDerWaalsContact O-CZ 3.26Å; N13-F55 WeakPolarHBondContact O-CZ 3.47Å; N13-I93 HydrophobicContact CB-CG2 4.44Å; N13-K95 WeakPolarHBondContact ND2-CE 3.39Å; N13-K95 WeakPolarHBondContact OD1-CE 3.48Å
14L88.6Confident86.6Confident31 Ų3160 Ų6016%0.16231%0.312CS..Hα-helixtrans-62.7-26177.5-70.4177000112.9I7 T11 E12 V16 L17 F18 L31I7-L14 HydrophobicContact CD1-CD2 4.09Å; T11-L14 HydrophobicContact CG2-CD2 3.92Å; T11-L14 WeakPolarHBondContact O-CG 3.33Å; E12-L14 VanDerWaalsContact C-N 3.34Å; L14-V16 VanDerWaalsContact C-N 3.32Å; L14-L17 HydrophobicContact CD2-CD2 4.06Å; L14-L17 WeakPolarHBondContact O-CB 3.45Å; L14-L17 PolarHBondContact O-N 2.75Å; L14-F18 HydrophobicContact CB-CE1 4.43Å; L14-F18 HydrophobicContact CB-CE2 4.39Å; L14-F18 HydrophobicContact CB-CZ 4.08Å; L14-F18 WeakPolarHBondContact O-CD1 2.87Å; L14-F18 VanDerWaalsContact O-CG 3.23Å; L14-F18 WeakPolarHBondContact O-CG 3.27Å; L14-F18 PolarHBondContact O-N 3.24Å; L14-L31 HydrophobicContact CD1-CD2 4.1Å
15D90.6Very high86.7Confident112 Ų11256.9 Ų56.960%0.59930%0.3SS*.Hα-helixtrans-57.2-43.5169.358.6-52.1000111.9N13 L17 F18 C19N13-D15 WeakPolarHBondContact CA-OD1 3.38Å; N13-D15 PolarHBondContact O-N 3.38Å; D15-L17 VanDerWaalsContact C-N 3.34Å; D15-L17 PolarHBondContact O-N 2.74Å; D15-F18 PolarHBondContact O-N 3.11Å; D15-C19 VanDerWaalsContact O-CB 3.32Å; D15-C19 WeakPolarHBondContact O-CB 3.28Å; D15-C19 PolarHBondContact O-N 2.99Å
16V91.7Very high87Confident38 Ų3859.2 Ų59.223%0.2332%0.324CS..Hα-helixtrans-63.2-42.6174.7-179.50000110.5N13 L14 R20 F55N13-V16 HydrophobicContact CB-CB 4.31Å; N13-V16 HydrophobicContact CB-CG2 3.99Å; N13-V16 WeakPolarHBondContact O-CB 3.33Å; N13-V16 PolarHBondContact O-N 3.27Å; L14-V16 VanDerWaalsContact C-N 3.32Å; V16-R20 HydrophobicContact CG1-CG 4.49Å; V16-R20 WeakPolarHBondContact O-CB 3.45Å; V16-R20 VanDerWaalsContact O-CG 3.24Å; V16-R20 WeakPolarHBondContact O-CG 3.36Å; V16-R20 PolarHBondContact O-N 2.97Å; V16-F55 HydrophobicContact CB-CE2 4.36Å; V16-F55 HydrophobicContact CB-CZ 4.22Å; V16-F55 HydrophobicContact CG1-CE2 4.15Å; V16-F55 HydrophobicContact CG1-CZ 4.47Å
17L92.5Very high87.5Confident0 Ų056.7 Ų56.70%031%0.308CS..Hα-helixtrans-60.3-49.4176.4174.557.9000111.5N13 L14 D15 R20 L21 L36 Y51 A52 F55 I56N13-L17 PolarHBondContact O-N 2.82Å; L14-L17 HydrophobicContact CD2-CD2 4.06Å; L14-L17 WeakPolarHBondContact O-CB 3.45Å; L14-L17 PolarHBondContact O-N 2.75Å; D15-L17 VanDerWaalsContact C-N 3.34Å; D15-L17 PolarHBondContact O-N 2.74Å; L17-R20 PolarHBondContact O-N 3.45Å; L17-L21 HydrophobicContact CD1-CD1 3.79Å; L17-L21 HydrophobicContact CD1-CD2 4.45Å; L17-L21 HydrophobicContact CD1-CG 3.86Å; L17-L21 HydrophobicContact CG-CD1 3.94Å; L17-L21 HydrophobicContact CG-CG 4.41Å; L17-L21 WeakPolarHBondContact O-CG 3.19Å; L17-L21 PolarHBondContact O-N 3.39Å; L17-L36 HydrophobicContact CD2-CD2 3.73Å; L17-Y51 HydrophobicContact CD1-CD1 3.95Å; L17-Y51 HydrophobicContact CD1-CE1 3.93Å; L17-A52 HydrophobicContact CD1-CB 4.34Å; L17-F55 HydrophobicContact CB-CD1 3.9Å; L17-F55 HydrophobicContact CB-CD2 4.05Å; L17-F55 HydrophobicContact CB-CE1 3.83Å; L17-F55 HydrophobicContact CB-CE2 4Å; L17-F55 HydrophobicContact CB-CG 4.03Å; L17-F55 HydrophobicContact CB-CZ 3.89Å; L17-F55 HydrophobicContact CD1-CB 3.84Å; L17-F55 HydrophobicContact CD1-CD1 4.35Å; L17-F55 HydrophobicContact CD1-CD2 4Å; L17-F55 HydrophobicContact CD1-CG 3.81Å; L17-F55 HydrophobicContact CD2-CB 4.43Å; L17-F55 HydrophobicContact CD2-CD1 3.97Å; L17-F55 HydrophobicContact CD2-CG 4.23Å; L17-F55 HydrophobicContact CG-CD1 4.3Å; L17-F55 HydrophobicContact CG-CG 4.24Å; L17-I56 HydrophobicContact CD2-CG2 4.39Å
18F93.7Very high88.1Confident62 Ų6259.5 Ų59.527%0.27233%0.329SS..Hα-helixtrans-62.3-46.6-178.7-60.5-17000111.6L14 D15 R20 L21 E22 A29 L31 L36L14-F18 HydrophobicContact CB-CE1 4.43Å; L14-F18 HydrophobicContact CB-CE2 4.39Å; L14-F18 HydrophobicContact CB-CZ 4.08Å; L14-F18 WeakPolarHBondContact O-CD1 2.87Å; L14-F18 VanDerWaalsContact O-CG 3.23Å; L14-F18 WeakPolarHBondContact O-CG 3.27Å; L14-F18 PolarHBondContact O-N 3.24Å; D15-F18 PolarHBondContact O-N 3.11Å; F18-R20 VanDerWaalsContact C-N 3.27Å; F18-R20 PolarHBondContact O-N 3.28Å; F18-L21 PolarHBondContact O-N 2.77Å; F18-E22 PolarHBondContact O-N 3.47Å; F18-A29 HydrophobicContact CD1-CB 3.88Å; F18-A29 HydrophobicContact CE1-CB 4.47Å; F18-L31 HydrophobicContact CZ-CB 4.15Å; F18-L36 HydrophobicContact CD1-CD1 4.12Å; F18-L36 HydrophobicContact CE1-CD1 3.4Å; F18-L36 HydrophobicContact CZ-CD1 4.26Å
19C93.2Very high89.1Confident59 Ų5957.5 Ų57.540%0.39932%0.318SS..Hα-helixtrans-56.9-41.6177.2-177.30000111.8D15 N23D15-C19 VanDerWaalsContact O-CB 3.32Å; D15-C19 WeakPolarHBondContact O-CB 3.28Å; D15-C19 PolarHBondContact O-N 2.99Å; C19-N23 VanDerWaalsContact O-CB 3.26Å; C19-N23 WeakPolarHBondContact O-CB 3.44Å; C19-N23 PolarHBondContact O-N 3.02Å; C19-N23 PolarHBondContact O-ND2 3.08Å; C19-N23 VanDerWaalsContact O-ND2 3.13Å; C19-N23 PolarHBondContact SG-ND2 3.08Å
20R94.1Very high89.9Confident8 Ų855.2 Ų55.23%0.0332%0.319CS..Hα-helixtrans-75.4-37-180-70.2-178.4-175.4-179.5-10.3113.6V16 L17 F18 E22 N23 Y24 Y51 E85 I92V16-R20 HydrophobicContact CG1-CG 4.49Å; V16-R20 WeakPolarHBondContact O-CB 3.45Å; V16-R20 VanDerWaalsContact O-CG 3.24Å; V16-R20 WeakPolarHBondContact O-CG 3.36Å; V16-R20 PolarHBondContact O-N 2.97Å; L17-R20 PolarHBondContact O-N 3.45Å; F18-R20 VanDerWaalsContact C-N 3.27Å; F18-R20 PolarHBondContact O-N 3.28Å; R20-E22 VanDerWaalsContact C-N 3.29Å; R20-E22 PolarHBondContact O-N 3.35Å; R20-N23 PolarHBondContact O-N 3.04Å; R20-Y24 HydrophobicContact CB-CD2 3.79Å; R20-Y24 HydrophobicContact CB-CE2 3.75Å; R20-Y24 HydrophobicContact CB-CG 4.48Å; R20-Y24 HydrophobicContact CG-CD2 4.21Å; R20-Y24 HydrophobicContact CG-CE2 3.64Å; R20-Y24 WeakPolarHBondContact O-CB 3.31Å; R20-Y24 VanDerWaalsContact O-CG 3.29Å; R20-Y24 PolarHBondContact O-N 2.91Å; R20-Y51 HydrophobicContact CB-CE1 3.99Å; R20-Y51 WeakPolarHBondContact CD-OH 3.27Å; R20-Y51 PolarHBondContact NH1-OH 3.08Å; R20-E85 IonicContact CZ-OE1 3.4Å; R20-E85 IonicContact CZ-OE2 3.33Å; R20-E85 VanDerWaalsContact NH1-CD 3.34Å; R20-E85 IonicContact NH1-OE1 2.6Å; R20-E85 PolarHBondContact NH1-OE1 3.27Å; R20-E85 IonicContact NH1-OE2 3.19Å; R20-E85 PolarHBondContact NH1-OE2 2.93Å; R20-E85 IonicContact NH2-OE1 2.58Å; R20-E85 PolarHBondContact NH2-OE1 3.41Å; R20-I92 PolarHBondContact NH1-O 3.48Å; R20-I92 VanDerWaalsContact NH1-O 3.17Å; R20-I92 PolarHBondContact NH2-O 2.79Å
21L93.8Very high90.6Very high0 Ų052.3 Ų52.30%030%0.296CS..Iπ-helixtrans-59.3-45.1173.5-74.7174.5000110.9L17 F18 Y25 G26 V27 A29 L36 I38 A48 Y51L17-L21 HydrophobicContact CD1-CD1 3.79Å; L17-L21 HydrophobicContact CD1-CD2 4.45Å; L17-L21 HydrophobicContact CD1-CG 3.86Å; L17-L21 HydrophobicContact CG-CD1 3.94Å; L17-L21 HydrophobicContact CG-CG 4.41Å; L17-L21 WeakPolarHBondContact O-CG 3.19Å; L17-L21 PolarHBondContact O-N 3.39Å; F18-L21 PolarHBondContact O-N 2.77Å; L21-Y25 HydrophobicContact CD2-CD2 4.22Å; L21-Y25 WeakPolarHBondContact O-CB 3.21Å; L21-Y25 PolarHBondContact O-N 2.8Å; L21-G26 PolarHBondContact O-N 3.13Å; L21-V27 HydrophobicContact CB-CG2 3.89Å; L21-V27 HydrophobicContact CD2-CG2 4.35Å; L21-V27 WeakPolarHBondContact O-CG2 3.35Å; L21-V27 PolarHBondContact O-N 2.9Å; L21-A29 HydrophobicContact CB-CB 4.44Å; L21-A29 HydrophobicContact CD1-CB 3.65Å; L21-L36 HydrophobicContact CD1-CD2 4.21Å; L21-I38 HydrophobicContact CD1-CD1 4.22Å; L21-I38 HydrophobicContact CD1-CG1 4.37Å; L21-A48 HydrophobicContact CD2-CB 3.96Å; L21-A48 WeakPolarHBondContact CD2-O 3.33Å; L21-Y51 HydrophobicContact CD2-CD1 4.08Å
22E93.8Very high91.2Very high129 Ų12955.3 Ų55.360%0.60331%0.311SS*.Iπ-helixtrans-64.1-52.8175.6-173.6171.2-161.300111.8F18 R20 G26 V27F18-E22 PolarHBondContact O-N 3.47Å; R20-E22 VanDerWaalsContact C-N 3.29Å; R20-E22 PolarHBondContact O-N 3.35Å; E22-G26 WeakPolarHBondContact O-CA 3.4Å; E22-G26 PolarHBondContact O-N 3.36Å; E22-V27 VanDerWaalsContact CA-O 3.26Å; E22-V27 WeakPolarHBondContact CA-O 3.38Å; E22-V27 PolarHBondContact N-O 2.98Å
23N91.2Very high91.3Very high102 Ų10257.9 Ų57.955%0.54532%0.323SS..Iπ-helixtrans-72.6-35.9-173-72.4-29.2000114.2C19 R20C19-N23 VanDerWaalsContact O-CB 3.26Å; C19-N23 WeakPolarHBondContact O-CB 3.44Å; C19-N23 PolarHBondContact O-N 3.02Å; C19-N23 PolarHBondContact O-ND2 3.08Å; C19-N23 VanDerWaalsContact O-ND2 3.13Å; C19-N23 PolarHBondContact SG-ND2 3.08Å; R20-N23 PolarHBondContact O-N 3.04Å
24Y91.3Very high91.3Very high44 Ų4459.4 Ų59.417%0.17333%0.331CS..Iπ-helixtrans-91.7-35.2-173.2-58.5-18.1000112.6R20 Q78 N82R20-Y24 HydrophobicContact CB-CD2 3.79Å; R20-Y24 HydrophobicContact CB-CE2 3.75Å; R20-Y24 HydrophobicContact CB-CG 4.48Å; R20-Y24 HydrophobicContact CG-CD2 4.21Å; R20-Y24 HydrophobicContact CG-CE2 3.64Å; R20-Y24 WeakPolarHBondContact O-CB 3.31Å; R20-Y24 VanDerWaalsContact O-CG 3.29Å; R20-Y24 PolarHBondContact O-N 2.91Å; Y24-Q78 HydrophobicContact CE1-CG 4.43Å; Y24-Q78 PolarHBondContact OH-NE2 3.33Å; Y24-Q78 PolarHBondContact OH-O 3.2Å; Y24-N82 HydrophobicContact CD1-CB 4.26Å; Y24-N82 HydrophobicContact CE1-CB 3.62Å; Y24-N82 HydrophobicContact CE2-CB 4.17Å
25Y90.3Very high91.2Very high36 Ų3662.4 Ų62.414%0.14134%0.342CS..Iπ-helixtrans-113-13.8-174.8-55.8-83.8000112.2L21 V27 K44 A47 A48 Y51L21-Y25 HydrophobicContact CD2-CD2 4.22Å; L21-Y25 WeakPolarHBondContact O-CB 3.21Å; L21-Y25 PolarHBondContact O-N 2.8Å; Y25-V27 VanDerWaalsContact C-N 3.3Å; Y25-K44 WeakPolarHBondContact O-CD 3.44Å; Y25-K44 PolarHBondContact O-NZ 2.79Å; Y25-A47 HydrophobicContact CD1-CB 3.95Å; Y25-A47 HydrophobicContact CE1-CB 3.65Å; Y25-A48 HydrophobicContact CD1-CB 4.43Å; Y25-A48 HydrophobicContact CD2-CB 4.37Å; Y25-A48 HydrophobicContact CG-CB 4.03Å; Y25-Y51 HydrophobicContact CE2-CD1 4.21Å; Y25-Y51 HydrophobicContact CE2-CD2 4Å; Y25-Y51 AromaticContact CE2-CG 3.7Å; Y25-Y51 HydrophobicContact CE2-CG 3.7Å; Y25-Y51 WeakPolarHBondContact OH-CD2 3.39Å
26G91.5Very high91.3Very high48 Ų4857 Ų5750%0.49531%0.314SS..  trans64.837.2-176.300000112L21 E22L21-G26 PolarHBondContact O-N 3.13Å; E22-G26 WeakPolarHBondContact O-CA 3.4Å; E22-G26 PolarHBondContact O-N 3.36Å
27V93.6Very high91.4Very high3 Ų358.2 Ų58.22%0.01832%0.316CS..  trans-115150.3177.6-57.30000109.8L21 E22 Y25 I38 C39 K44 A48L21-V27 HydrophobicContact CB-CG2 3.89Å; L21-V27 HydrophobicContact CD2-CG2 4.35Å; L21-V27 WeakPolarHBondContact O-CG2 3.35Å; L21-V27 PolarHBondContact O-N 2.9Å; E22-V27 VanDerWaalsContact CA-O 3.26Å; E22-V27 WeakPolarHBondContact CA-O 3.38Å; E22-V27 PolarHBondContact N-O 2.98Å; Y25-V27 VanDerWaalsContact C-N 3.3Å; V27-I38 HydrophobicContact CB-CG2 3.98Å; V27-I38 HydrophobicContact CG2-CG2 3.58Å; V27-C39 WeakPolarHBondContact CA-O 3.34Å; V27-C39 WeakPolarHBondContact CB-O 3.48Å; V27-K44 HydrophobicContact CG1-CB 3.84Å; V27-A48 HydrophobicContact CG1-CB 4.27Å; V27-A48 HydrophobicContact CG2-CB 3.87Å
28S94.2Very high91.4Very high76 Ų7658.2 Ų58.253%0.53132%0.316SS..EExtended strand (participates in β ladder)trans-94.7143.4172.257.90000110.5I38 C39S28-I38 CarbonylContact O-C 3.59Å; S28-I38 WeakPolarHBondContact O-CA 3.29Å; S28-C39 PolarHBondContact N-O 3.43Å; S28-C39 PolarHBondContact O-N 3.41Å; S28-C39 WeakPolarHBondContact OG-CB 3.39Å
29A93.4Very high91.4Very high27 Ų2757.1 Ų57.122%0.22332%0.315CS..EExtended strand (participates in β ladder)trans-129.8139.3-178.800000110.4F18 L21 L36 K37F18-A29 HydrophobicContact CD1-CB 3.88Å; F18-A29 HydrophobicContact CE1-CB 4.47Å; L21-A29 HydrophobicContact CB-CB 4.44Å; L21-A29 HydrophobicContact CD1-CB 3.65Å; A29-L36 HydrophobicContact CB-CD1 4.05Å; A29-K37 CarbonylContact C-O 3.54Å; A29-K37 VanDerWaalsContact CA-O 3.31Å; A29-K37 WeakPolarHBondContact CA-O 3.32Å
30A92.6Very high91.3Very high48 Ų4855.3 Ų55.340%0.39731%0.307SS..EExtended strand (participates in β ladder)trans-141.4140.5176.200000110.6K37A30-K37 PolarHBondContact N-O 3.37Å; A30-K37 PolarHBondContact O-N 3.21Å
31L90.1Very high90.9Very high79 Ų7958.3 Ų58.341%0.41433%0.326SS..EExtended strand (participates in β ladder)trans-85.2123.4173.3-170.467.6000109.9I7 L14 F18I7-L31 HydrophobicContact CD1-CD1 3.66Å; L14-L31 HydrophobicContact CD1-CD2 4.1Å; F18-L31 HydrophobicContact CZ-CB 4.15Å
32L87.8Confident90.3Very high88 Ų8860.7 Ų60.746%0.46135%0.346SS..EExtended strand (participates in β ladder)trans-12097.9173.6-64.3175.6000107.6Y4 D34 K35 K37Y4-L32 HydrophobicContact CE1-CD1 4.44Å; L32-D34 PolarHBondContact O-N 2.77Å; L32-K35 PolarHBondContact N-O 3.32Å; L32-K35 PolarHBondContact O-N 3.12Å; L32-K37 HydrophobicContact CD1-CB 4Å; L32-K37 HydrophobicContact CD1-CD 3.75Å; L32-K37 HydrophobicContact CD1-CG 4.48Å
33Q84.7Confident89.5Confident182 Ų18258.8 Ų58.885%0.8534%0.34SS*.THydrogen-bonded Turntrans57.4-113.4-172.9-58.5175.1-27.600111.5
34D84.2Confident89.3Confident76 Ų7657.7 Ų57.741%0.40633%0.33SS..THydrogen-bonded Turntrans-95.24.617867.3-35.1000112.8I7 L32I7-D34 PolarHBondContact N-O 2.6Å; L32-D34 PolarHBondContact O-N 2.77Å
35K87.8Confident89.1Confident93 Ų9355.9 Ų55.940%0.40432%0.323SS..EExtended strand (participates in β ladder)trans-114.9127.4-177-63.7-176.8-175.9-178.20111.9Y4 L32 K37Y4-K35 HydrophobicContact CD1-CB 4.33Å; L32-K35 PolarHBondContact N-O 3.32Å; L32-K35 PolarHBondContact O-N 3.12Å; K35-K37 PolarHBondContact O-N 3.23Å
36L91Very high88.8Confident0 Ų057.8 Ų57.80%034%0.336CS..EExtended strand (participates in β ladder)trans-81.1113.4165.6-17961.6000109.4Y4 V5 I7 L17 F18 L21 A29 I38 A52Y4-L36 CarbonylContact C-O 3.42Å; Y4-L36 WeakPolarHBondContact CA-O 3.2Å; V5-L36 HydrophobicContact CB-CB 4.25Å; V5-L36 PolarHBondContact N-O 3.49Å; V5-L36 PolarHBondContact O-N 2.87Å; I7-L36 HydrophobicContact CD1-CB 4.24Å; I7-L36 HydrophobicContact CG1-CB 4.38Å; L17-L36 HydrophobicContact CD2-CD2 3.73Å; F18-L36 HydrophobicContact CD1-CD1 4.12Å; F18-L36 HydrophobicContact CE1-CD1 3.4Å; F18-L36 HydrophobicContact CZ-CD1 4.26Å; L21-L36 HydrophobicContact CD1-CD2 4.21Å; A29-L36 HydrophobicContact CB-CD1 4.05Å; L36-I38 HydrophobicContact CD2-CD1 4.1Å; L36-I38 HydrophobicContact CD2-CG1 4.13Å; L36-I38 HydrophobicContact CG-CD1 4.41Å; L36-I38 HydrophobicContact CG-CG1 3.94Å; L36-A52 HydrophobicContact CD2-CB 3.78Å
37K93.6Very high88.4Confident63 Ų6357.6 Ų57.627%0.27433%0.33SS..EExtended strand (participates in β ladder)trans-91117.6172.1-176.3-177.9-178.6-1750109.1Y4 A29 A30 L32 K35 C39Y4-K37 HydrophobicContact CD1-CB 4.09Å; Y4-K37 HydrophobicContact CD1-CG 4.29Å; Y4-K37 HydrophobicContact CE1-CB 3.84Å; Y4-K37 HydrophobicContact CE1-CD 4Å; Y4-K37 HydrophobicContact CE1-CG 3.74Å; A29-K37 CarbonylContact C-O 3.54Å; A29-K37 VanDerWaalsContact CA-O 3.31Å; A29-K37 WeakPolarHBondContact CA-O 3.32Å; A30-K37 PolarHBondContact N-O 3.37Å; A30-K37 PolarHBondContact O-N 3.21Å; L32-K37 HydrophobicContact CD1-CB 4Å; L32-K37 HydrophobicContact CD1-CD 3.75Å; L32-K37 HydrophobicContact CD1-CG 4.48Å; K35-K37 PolarHBondContact O-N 3.23Å; K37-C39 VanDerWaalsContact CE-SG 3.58Å
38I93.9Very high88.3Confident0 Ų057.4 Ų57.40%033%0.329CS..EExtended strand (participates in β ladder)trans-108.3125.2177.1-50.9175.9000108.4S2 V3 V5 L21 V27 S28 L36 L45 A48 A52S2-I38 CarbonylContact C-O 3.55Å; S2-I38 WeakPolarHBondContact CA-O 3.47Å; V3-I38 HydrophobicContact CG2-CB 3.84Å; V3-I38 HydrophobicContact CG2-CD1 4.4Å; V3-I38 HydrophobicContact CG2-CG1 4.48Å; V3-I38 PolarHBondContact N-O 3.45Å; V3-I38 PolarHBondContact O-N 3.01Å; V5-I38 HydrophobicContact CG2-CD1 4.26Å; L21-I38 HydrophobicContact CD1-CD1 4.22Å; L21-I38 HydrophobicContact CD1-CG1 4.37Å; V27-I38 HydrophobicContact CB-CG2 3.98Å; V27-I38 HydrophobicContact CG2-CG2 3.58Å; S28-I38 CarbonylContact O-C 3.59Å; S28-I38 WeakPolarHBondContact O-CA 3.29Å; L36-I38 HydrophobicContact CD2-CD1 4.1Å; L36-I38 HydrophobicContact CD2-CG1 4.13Å; L36-I38 HydrophobicContact CG-CD1 4.41Å; L36-I38 HydrophobicContact CG-CG1 3.94Å; I38-L45 HydrophobicContact CG2-CD2 3.98Å; I38-A48 HydrophobicContact CG2-CB 4.12Å; I38-A52 HydrophobicContact CD1-CB 3.75Å
39C93.3Very high88.1Confident38 Ų3854.6 Ų54.626%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-118.6129.9-175.2-66.80000110.8M1 V27 S28 K37M1-C39 WeakPolarHBondContact O-CA 3.5Å; V27-C39 WeakPolarHBondContact CA-O 3.34Å; V27-C39 WeakPolarHBondContact CB-O 3.48Å; S28-C39 PolarHBondContact N-O 3.43Å; S28-C39 PolarHBondContact O-N 3.41Å; S28-C39 WeakPolarHBondContact OG-CB 3.39Å; K37-C39 VanDerWaalsContact CE-SG 3.58Å
40G91.4Very high87.7Confident21 Ų2154.3 Ų54.322%0.21630%0.302CS..SBendtrans-177.9-170.7-176.200000112.9M1M1-G40 PolarHBondContact N-O 3.31Å; M1-G40 PolarHBondContact O-N 3.17Å; M1-G40 VanDerWaalsContact O-N 3.11Å
41T85.3Confident87.7Confident71 Ų7152.2 Ų52.244%0.43628%0.284SS..  trans-79.5150.517159.50000110.1D43 K44 L45T41-D43 WeakPolarHBondContact CB-OD1 3.47Å; T41-D43 PolarHBondContact O-N 3.47Å; T41-D43 PolarHBondContact OG1-OD1 3.32Å; T41-K44 PolarHBondContact O-N 3.34Å; T41-K44 VanDerWaalsContact OG1-CD 3.3Å; T41-K44 WeakPolarHBondContact OG1-CD 3.11Å; T41-L45 WeakPolarHBondContact O-CG 3.41Å; T41-L45 PolarHBondContact O-N 2.81Å
42A80.5Confident87.7Confident51 Ų5148.5 Ų48.542%0.42126%0.264SS..Hα-helixtrans-53.1-32.9-175.700000112.8M1 K44M1-A42 HydrophobicContact CE-CB 4.07Å; M1-A42 HydrophobicContact SD-CB 3.78Å; A42-K44 VanDerWaalsContact C-N 3.28Å; A42-K44 PolarHBondContact O-N 3.32Å
43D78Confident87.7Confident88 Ų8844.3 Ų44.347%0.47124%0.242SC..Hα-helixtrans-69.4-25.2-177.658.6-60000114.7T41 H295T41-D43 WeakPolarHBondContact CB-OD1 3.47Å; T41-D43 PolarHBondContact O-N 3.47Å; T41-D43 PolarHBondContact OG1-OD1 3.32Å; D43-H295 WeakPolarHBondContact CA-CE1 3.3Å; D43-H295 WeakPolarHBondContact CA-NE2 3.13Å; D43-H295 WeakPolarHBondContact CB-NE2 3.43Å; D43-H295 PolarHBondContact O-CE1 2.91Å; D43-H295 PolarHBondContact O-NE2 3.03Å
44K86.2Confident87.8Confident80 Ų8036.5 Ų36.535%0.34821%0.205SC..Hα-helixtrans-97.7-26-177-65.3171.4166.1-156.30112.8Y25 V27 T41 A42 N46 A48Y25-K44 WeakPolarHBondContact O-CD 3.44Å; Y25-K44 PolarHBondContact O-NZ 2.79Å; V27-K44 HydrophobicContact CG1-CB 3.84Å; T41-K44 PolarHBondContact O-N 3.34Å; T41-K44 VanDerWaalsContact OG1-CD 3.3Å; T41-K44 WeakPolarHBondContact OG1-CD 3.11Å; A42-K44 VanDerWaalsContact C-N 3.28Å; A42-K44 PolarHBondContact O-N 3.32Å; K44-N46 PolarHBondContact O-N 3.05Å; K44-A48 VanDerWaalsContact O-CB 3.29Å; K44-A48 WeakPolarHBondContact O-CB 3.49Å; K44-A48 PolarHBondContact O-N 2.91Å; K44-A48 VanDerWaalsContact O-N 3.08Å
45L87.7Confident88.1Confident5 Ų532.9 Ų32.93%0.02619%0.186CC..Hα-helixtrans-65.1-38.9-169.1-75177.9000113.1M1 V3 I38 T41 A48 Q49M1-L45 HydrophobicContact CB-CD1 3.52Å; V3-L45 HydrophobicContact CG1-CB 4.2Å; V3-L45 HydrophobicContact CG1-CD1 4.25Å; V3-L45 HydrophobicContact CG2-CB 4.41Å; V3-L45 HydrophobicContact CG2-CD2 4.14Å; I38-L45 HydrophobicContact CG2-CD2 3.98Å; T41-L45 WeakPolarHBondContact O-CG 3.41Å; T41-L45 PolarHBondContact O-N 2.81Å; L45-A48 PolarHBondContact O-N 3.12Å; L45-Q49 VanDerWaalsContact O-CB 3.24Å; L45-Q49 WeakPolarHBondContact O-CB 3.32Å; L45-Q49 PolarHBondContact O-N 3.11Å
46N83.4Confident88Confident77 Ų7728.5 Ų28.541%0.41217%0.167SC..Hα-helixtrans-64.5-50.6-178.7-69.7-5.7000111.6K44 A48 Q49 D50K44-N46 PolarHBondContact O-N 3.05Å; N46-A48 VanDerWaalsContact C-N 3.32Å; N46-A48 PolarHBondContact O-N 3.19Å; N46-Q49 WeakPolarHBondContact O-CB 3.38Å; N46-Q49 PolarHBondContact O-N 2.63Å; N46-Q49 VanDerWaalsContact O-N 3.16Å; N46-D50 VanDerWaalsContact O-CG 3.28Å; N46-D50 PolarHBondContact O-N 3.36Å
47A84.2Confident87.3Confident43 Ų4328.6 Ų28.636%0.35517%0.167SC..Hα-helixtrans-64.3-38.7179.400000111.8Y25 D50 Y51Y25-A47 HydrophobicContact CD1-CB 3.95Å; Y25-A47 HydrophobicContact CE1-CB 3.65Å; A47-D50 PolarHBondContact O-N 2.84Å; A47-Y51 WeakPolarHBondContact O-CB 3.3Å; A47-Y51 PolarHBondContact O-N 3.24Å
48A91.1Very high86.2Confident0 Ų029.1 Ų29.10%018%0.177CC..Hα-helixtrans-63.8-39.6173.600000112.5L21 Y25 V27 I38 K44 L45 N46 Y51 A52L21-A48 HydrophobicContact CD2-CB 3.96Å; L21-A48 WeakPolarHBondContact CD2-O 3.33Å; Y25-A48 HydrophobicContact CD1-CB 4.43Å; Y25-A48 HydrophobicContact CD2-CB 4.37Å; Y25-A48 HydrophobicContact CG-CB 4.03Å; V27-A48 HydrophobicContact CG1-CB 4.27Å; V27-A48 HydrophobicContact CG2-CB 3.87Å; I38-A48 HydrophobicContact CG2-CB 4.12Å; K44-A48 VanDerWaalsContact O-CB 3.29Å; K44-A48 WeakPolarHBondContact O-CB 3.49Å; K44-A48 PolarHBondContact O-N 2.91Å; K44-A48 VanDerWaalsContact O-N 3.08Å; L45-A48 PolarHBondContact O-N 3.12Å; N46-A48 VanDerWaalsContact C-N 3.32Å; N46-A48 PolarHBondContact O-N 3.19Å; A48-Y51 PolarHBondContact O-N 2.62Å; A48-A52 WeakPolarHBondContact O-CB 3.47Å; A48-A52 PolarHBondContact O-N 3.46Å
49Q90Very high84.8Confident16 Ų1631.7 Ų31.78%0.07519%0.189CC..Hα-helixtrans-65.7-45.7176.6-168.2-177.615.900111.2V3 V5 L45 N46 Y51 A52 L53V3-Q49 HydrophobicContact CG2-CB 4.18Å; V3-Q49 HydrophobicContact CG2-CG 4.3Å; V5-Q49 HydrophobicContact CG2-CG 3.62Å; L45-Q49 VanDerWaalsContact O-CB 3.24Å; L45-Q49 WeakPolarHBondContact O-CB 3.32Å; L45-Q49 PolarHBondContact O-N 3.11Å; N46-Q49 WeakPolarHBondContact O-CB 3.38Å; N46-Q49 PolarHBondContact O-N 2.63Å; N46-Q49 VanDerWaalsContact O-N 3.16Å; Q49-Y51 VanDerWaalsContact C-N 3.3Å; Q49-Y51 PolarHBondContact O-N 3.01Å; Q49-A52 PolarHBondContact O-N 3.16Å; Q49-L53 HydrophobicContact CG-CD1 4.18Å; Q49-L53 WeakPolarHBondContact O-CB 3.28Å; Q49-L53 VanDerWaalsContact O-CG 3.3Å; Q49-L53 WeakPolarHBondContact O-CG 3.22Å; Q49-L53 PolarHBondContact O-N 2.83Å
50D86Confident83.1Confident22 Ų2232.7 Ų32.712%0.11820%0.196CC..Hα-helixtrans-61.4-41.1176.9-62.3-37.8000111.7N46 A47 L53 R54 V192 R196N46-D50 VanDerWaalsContact O-CG 3.28Å; N46-D50 PolarHBondContact O-N 3.36Å; A47-D50 PolarHBondContact O-N 2.84Å; D50-L53 PolarHBondContact O-N 3.12Å; D50-R54 WeakPolarHBondContact O-CB 3.31Å; D50-R54 PolarHBondContact O-N 3.01Å; D50-V192 HydrophobicContact CB-CG1 4.12Å; D50-V192 WeakPolarHBondContact OD1-CG1 3.33Å; D50-R196 IonicContact OD1-CZ 3.35Å; D50-R196 IonicContact OD1-NE 3.25Å; D50-R196 PolarHBondContact OD1-NE 2.91Å; D50-R196 IonicContact OD1-NH2 3.27Å; D50-R196 PolarHBondContact OD1-NH2 2.89Å; D50-R196 IonicContact OD2-CZ 2.99Å; D50-R196 IonicContact OD2-NH2 3.44Å; D50-R196 PolarHBondContact OD2-NH2 3.19Å
51Y90.7Very high81.6Confident4 Ų434.6 Ų34.62%0.01620%0.204CC..Hα-helixtrans-60.6-47.9175-173.9-90.4000111.3L17 R20 L21 Y25 A47 A48 Q49 R54 F55 E85 V91L17-Y51 HydrophobicContact CD1-CD1 3.95Å; L17-Y51 HydrophobicContact CD1-CE1 3.93Å; R20-Y51 HydrophobicContact CB-CE1 3.99Å; R20-Y51 WeakPolarHBondContact CD-OH 3.27Å; R20-Y51 PolarHBondContact NH1-OH 3.08Å; L21-Y51 HydrophobicContact CD2-CD1 4.08Å; Y25-Y51 HydrophobicContact CE2-CD1 4.21Å; Y25-Y51 HydrophobicContact CE2-CD2 4Å; Y25-Y51 AromaticContact CE2-CG 3.7Å; Y25-Y51 HydrophobicContact CE2-CG 3.7Å; Y25-Y51 WeakPolarHBondContact OH-CD2 3.39Å; A47-Y51 WeakPolarHBondContact O-CB 3.3Å; A47-Y51 PolarHBondContact O-N 3.24Å; A48-Y51 PolarHBondContact O-N 2.62Å; Q49-Y51 VanDerWaalsContact C-N 3.3Å; Q49-Y51 PolarHBondContact O-N 3.01Å; Y51-R54 PolarHBondContact O-N 2.93Å; Y51-F55 HydrophobicContact CE1-CD2 4.29Å; Y51-F55 WeakPolarHBondContact O-CB 3.35Å; Y51-F55 PolarHBondContact O-N 3Å; Y51-E85 VanDerWaalsContact CE2-OE2 3.3Å; Y51-E85 WeakPolarHBondContact CE2-OE2 3.41Å; Y51-E85 PolarHBondContact OH-OE2 3.38Å; Y51-V91 HydrophobicContact CE2-CG2 4.13Å
52A91Very high80.2Confident0 Ų035.9 Ų35.90%021%0.208CC..Hα-helixtrans-60.7-46.5177.200000111.9V5 L17 L36 I38 A48 Q49 R54 F55 I56V5-A52 HydrophobicContact CG2-CB 4.36Å; L17-A52 HydrophobicContact CD1-CB 4.34Å; L36-A52 HydrophobicContact CD2-CB 3.78Å; I38-A52 HydrophobicContact CD1-CB 3.75Å; A48-A52 WeakPolarHBondContact O-CB 3.47Å; A48-A52 PolarHBondContact O-N 3.46Å; Q49-A52 PolarHBondContact O-N 3.16Å; A52-R54 VanDerWaalsContact C-N 3.29Å; A52-R54 PolarHBondContact O-N 3.18Å; A52-F55 WeakPolarHBondContact O-CB 3.42Å; A52-F55 PolarHBondContact O-N 2.89Å; A52-F55 VanDerWaalsContact O-N 3.12Å; A52-I56 WeakPolarHBondContact O-CG1 3.48Å; A52-I56 PolarHBondContact O-N 3.38Å
53L87.6Confident79.3Confident0 Ų037.7 Ų37.70%021%0.213CC..Hα-helixtrans-57.7-41.9176.3-74.4167.2000111.7V5 Q49 D50 I56 S57 F191 V192 Y195V5-L53 HydrophobicContact CG1-CD2 3.63Å; V5-L53 HydrophobicContact CG1-CG 4.15Å; V5-L53 HydrophobicContact CG2-CG 4.46Å; Q49-L53 HydrophobicContact CG-CD1 4.18Å; Q49-L53 WeakPolarHBondContact O-CB 3.28Å; Q49-L53 VanDerWaalsContact O-CG 3.3Å; Q49-L53 WeakPolarHBondContact O-CG 3.22Å; Q49-L53 PolarHBondContact O-N 2.83Å; D50-L53 PolarHBondContact O-N 3.12Å; L53-I56 HydrophobicContact CD2-CD1 4.5Å; L53-I56 WeakPolarHBondContact O-CG1 3.24Å; L53-I56 PolarHBondContact O-N 3.3Å; L53-S57 WeakPolarHBondContact O-CB 3.47Å; L53-S57 PolarHBondContact O-N 2.82Å; L53-F191 HydrophobicContact CB-CD1 4.36Å; L53-F191 HydrophobicContact CB-CE1 4.27Å; L53-F191 HydrophobicContact CD2-CD1 4.5Å; L53-F191 HydrophobicContact CD2-CE1 3.8Å; L53-F191 VanDerWaalsContact O-CD1 3.28Å; L53-F191 WeakPolarHBondContact O-CD1 3.32Å; L53-F191 WeakPolarHBondContact O-CE1 3.26Å; L53-V192 HydrophobicContact CB-CG2 3.85Å; L53-V192 HydrophobicContact CD1-CG1 4.21Å; L53-Y195 HydrophobicContact CD1-CD1 3.5Å; L53-Y195 VanDerWaalsContact CD1-CD1 3.5Å; L53-Y195 HydrophobicContact CD1-CE1 4.13Å; L53-Y195 HydrophobicContact CD1-CG 3.8Å; L53-Y195 HydrophobicContact CD2-CD1 3.87Å; L53-Y195 HydrophobicContact CD2-CD2 3.54Å; L53-Y195 HydrophobicContact CD2-CE1 4.24Å; L53-Y195 HydrophobicContact CD2-CE2 3.94Å; L53-Y195 HydrophobicContact CD2-CG 3.51Å; L53-Y195 HydrophobicContact CG-CD1 4.32Å; L53-Y195 HydrophobicContact CG-CG 4.33Å
54R87.5Confident78.4Confident18 Ų1834.8 Ų34.87%0.06820%0.199CC..Hα-helixtrans-65.9-40.1175.7-166.8178.5-54133.514.6112.6D50 Y51 A52 S57 N89 V91 V192D50-R54 WeakPolarHBondContact O-CB 3.31Å; D50-R54 PolarHBondContact O-N 3.01Å; Y51-R54 PolarHBondContact O-N 2.93Å; A52-R54 VanDerWaalsContact C-N 3.29Å; A52-R54 PolarHBondContact O-N 3.18Å; R54-S57 PolarHBondContact O-N 2.86Å; R54-S57 PolarHBondContact O-OG 2.93Å; R54-N89 WeakPolarHBondContact CD-O 3.5Å; R54-N89 PolarHBondContact NE-O 2.91Å; R54-N89 PolarHBondContact NH1-OD1 3.5Å; R54-N89 VanDerWaalsContact NH2-CG 3.32Å; R54-N89 PolarHBondContact NH2-ND2 3.19Å; R54-N89 PolarHBondContact NH2-OD1 2.97Å; R54-V91 HydrophobicContact CB-CG2 4.3Å; R54-V91 HydrophobicContact CG-CG2 4.05Å; R54-V192 HydrophobicContact CB-CG2 4.27Å
55F89.4Confident77.1Confident0 Ų035.4 Ų35.40%021%0.21CC..Hα-helixtrans-63.4-41.2177.8-166.4-75.9000112.2T11 N13 V16 L17 Y51 A52 S57 V91 I93 K102T11-F55 HydrophobicContact CG2-CD1 4.49Å; T11-F55 HydrophobicContact CG2-CE1 4.42Å; N13-F55 HydrophobicContact CB-CZ 4.33Å; N13-F55 VanDerWaalsContact O-CZ 3.26Å; N13-F55 WeakPolarHBondContact O-CZ 3.47Å; V16-F55 HydrophobicContact CB-CE2 4.36Å; V16-F55 HydrophobicContact CB-CZ 4.22Å; V16-F55 HydrophobicContact CG1-CE2 4.15Å; V16-F55 HydrophobicContact CG1-CZ 4.47Å; L17-F55 HydrophobicContact CB-CD1 3.9Å; L17-F55 HydrophobicContact CB-CD2 4.05Å; L17-F55 HydrophobicContact CB-CE1 3.83Å; L17-F55 HydrophobicContact CB-CE2 4Å; L17-F55 HydrophobicContact CB-CG 4.03Å; L17-F55 HydrophobicContact CB-CZ 3.89Å; L17-F55 HydrophobicContact CD1-CB 3.84Å; L17-F55 HydrophobicContact CD1-CD1 4.35Å; L17-F55 HydrophobicContact CD1-CD2 4Å; L17-F55 HydrophobicContact CD1-CG 3.81Å; L17-F55 HydrophobicContact CD2-CB 4.43Å; L17-F55 HydrophobicContact CD2-CD1 3.97Å; L17-F55 HydrophobicContact CD2-CG 4.23Å; L17-F55 HydrophobicContact CG-CD1 4.3Å; L17-F55 HydrophobicContact CG-CG 4.24Å; Y51-F55 HydrophobicContact CE1-CD2 4.29Å; Y51-F55 WeakPolarHBondContact O-CB 3.35Å; Y51-F55 PolarHBondContact O-N 3Å; A52-F55 WeakPolarHBondContact O-CB 3.42Å; A52-F55 PolarHBondContact O-N 2.89Å; A52-F55 VanDerWaalsContact O-N 3.12Å; F55-S57 VanDerWaalsContact C-N 3.34Å; F55-V91 HydrophobicContact CB-CG2 4.35Å; F55-V91 HydrophobicContact CD2-CG1 3.43Å; F55-V91 VanDerWaalsContact CD2-CG1 3.43Å; F55-V91 HydrophobicContact CD2-CG2 4.39Å; F55-V91 HydrophobicContact CE2-CG1 3.79Å; F55-V91 HydrophobicContact CG-CG1 4.28Å; F55-I93 HydrophobicContact CE1-CD1 4.3Å; F55-I93 HydrophobicContact CE2-CD1 4.01Å; F55-I93 HydrophobicContact CE2-CG1 4.24Å; F55-I93 HydrophobicContact CZ-CD1 3.72Å; F55-I93 HydrophobicContact CZ-CG1 4.34Å; F55-K102 WeakPolarHBondContact O-CD 2.96Å; F55-K102 WeakPolarHBondContact O-CE 3.31Å; F55-K102 PolarHBondContact O-NZ 2.96Å
56I85.8Confident76.1Confident2 Ų235.7 Ų35.71%0.0121%0.212CC..Hα-helixtrans-86.6-4.8-179.869.6169.4000113.4V5 T6 I7 T11 L17 A52 L53 F191V5-I56 HydrophobicContact CG1-CD1 3.4Å; V5-I56 HydrophobicContact CG1-CG1 4.48Å; T6-I56 VanDerWaalsContact O-CD1 3.29Å; T6-I56 WeakPolarHBondContact O-CD1 3.41Å; I7-I56 HydrophobicContact CG1-CG2 4.38Å; T11-I56 HydrophobicContact CG2-CG2 4.31Å; L17-I56 HydrophobicContact CD2-CG2 4.39Å; A52-I56 WeakPolarHBondContact O-CG1 3.48Å; A52-I56 PolarHBondContact O-N 3.38Å; L53-I56 HydrophobicContact CD2-CD1 4.5Å; L53-I56 WeakPolarHBondContact O-CG1 3.24Å; L53-I56 PolarHBondContact O-N 3.3Å; I56-F191 HydrophobicContact CD1-CE1 4.28Å; I56-F191 HydrophobicContact CD1-CZ 4.44Å; I56-F191 HydrophobicContact CG1-CE1 3.98Å; I56-F191 HydrophobicContact CG1-CZ 4.43Å
57S77.7Confident75.1Confident1 Ų137.3 Ų37.31%0.00723%0.225CC..  trans-60.3142.8-174.791.30000111.3L53 R54 F55 E59L53-S57 WeakPolarHBondContact O-CB 3.47Å; L53-S57 PolarHBondContact O-N 2.82Å; R54-S57 PolarHBondContact O-N 2.86Å; R54-S57 PolarHBondContact O-OG 2.93Å; F55-S57 VanDerWaalsContact C-N 3.34Å; S57-E59 PolarHBondContact O-N 2.93Å; S57-E59 PolarHBondContact OG-N 3.21Å
58P69.7Low74.8Confident75 Ų7536.4 Ų36.449%0.48722%0.215SC..SBendtrans-71.8-15.2176.232-35.6000111.9Y9 S60 F191Y9-P58 HydrophobicContact CE2-CB 3.99Å; Y9-P58 HydrophobicContact CE2-CG 4.45Å; Y9-P58 VanDerWaalsContact OH-CD 3.31Å; Y9-P58 WeakPolarHBondContact OH-CD 3.39Å; Y9-P58 VanDerWaalsContact OH-CG 3.22Å; Y9-P58 WeakPolarHBondContact OH-CG 3.31Å; P58-S60 PolarHBondContact O-N 3.04Å; P58-F191 HydrophobicContact CG-CD2 4.36Å
59E63.4Low74.5Confident54 Ų5442.3 Ų42.325%0.25225%0.245SC..  trans-76.148.6-177.7-60.8176.8-155.700112.4S57 V61 H190 F191S57-E59 PolarHBondContact O-N 2.93Å; S57-E59 PolarHBondContact OG-N 3.21Å; E59-V61 PolarHBondContact O-N 3.08Å; E59-H190 IonicContact OE2-CD2 3.86Å; E59-H190 PolarHBondContact OE2-CD2 3.44Å; E59-H190 IonicContact OE2-NE2 3.08Å; E59-H190 PolarHBondContact OE2-NE2 3.03Å; E59-F191 PolarHBondContact OE1-N 3.46Å
60S59Low74.3Confident58 Ų5843 Ų4341%0.40625%0.248SC..EExtended strand (participates in β ladder)trans-72.8112.9170-580000108.3P58 K102P58-S60 PolarHBondContact O-N 3.04Å; S60-K102 WeakPolarHBondContact OG-CE 3.08Å
61V59.9Low74.4Confident61 Ų6141.9 Ų41.937%0.3724%0.243SC..EExtended strand (participates in β ladder)trans-115.7118.7178.9-175.30000108.6E59 I101 I108E59-V61 PolarHBondContact O-N 3.08Å; V61-I101 PolarHBondContact N-O 3.3Å; V61-I108 HydrophobicContact CB-CD1 3.71Å; V61-I108 HydrophobicContact CG2-CD1 4.25Å
62L55.1Low74.3Confident99 Ų9943.3 Ų43.352%0.51825%0.25SS..EExtended strand (participates in β ladder)trans75.5119172.8-159.467.3000116.1S64L62-S64 WeakPolarHBondContact CD2-OG 3.4Å; L62-S64 PolarHBondContact O-N 3.38Å
63V61.1Low74.2Confident89 Ų8946.6 Ų46.654%0.53927%0.266SS..EExtended strand (participates in β ladder)trans-88.186.6159.7-176.90000106.1T65 N98 L99 I100V63-T65 PolarHBondContact O-N 2.76Å; V63-N98 HydrophobicContact CG1-CB 3.83Å; V63-L99 CarbonylContact C-O 3.57Å; V63-L99 VanDerWaalsContact CA-O 3.24Å; V63-L99 WeakPolarHBondContact CA-O 3.46Å; V63-I100 HydrophobicContact CG2-CG1 4.4Å
64S59.6Low74.5Confident26 Ų2646.6 Ų46.618%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-72.9129.1174-69.40000108.7L62 I66 L99L62-S64 WeakPolarHBondContact CD2-OG 3.4Å; L62-S64 PolarHBondContact O-N 3.38Å; S64-I66 PolarHBondContact O-N 3Å; S64-L99 PolarHBondContact N-O 2.97Å; S64-L99 PolarHBondContact O-N 3.33Å
65T59.2Low74.7Confident94 Ų9445.7 Ų45.758%0.57726%0.262SS*.EExtended strand (participates in β ladder)trans-75.5119.7164.3-49.70000107.2V63 T67V63-T65 PolarHBondContact O-N 2.76Å; T65-T67 PolarHBondContact O-N 3.42Å
66I65.8Low74.7Confident11 Ų1149.2 Ų49.26%0.05629%0.287CS..PPolyproline II helixtrans-68.9125.3171.3-61.8165.1000106.9S64 S68 C71 L72 L75 S97 L99S64-I66 PolarHBondContact O-N 3Å; I66-S68 WeakPolarHBondContact CG2-O 3.21Å; I66-C71 HydrophobicContact CG2-CB 3.79Å; I66-L72 HydrophobicContact CB-CD2 4.38Å; I66-L72 HydrophobicContact CB-CG 4.13Å; I66-L72 HydrophobicContact CD1-CD2 3.28Å; I66-L72 HydrophobicContact CD1-CG 3.74Å; I66-L72 HydrophobicContact CG1-CD2 4.43Å; I66-L72 HydrophobicContact CG2-CD1 4.42Å; I66-L72 HydrophobicContact CG2-CG 3.86Å; I66-L75 HydrophobicContact CD1-CD1 4.19Å; I66-S97 PolarHBondContact N-O 2.81Å; I66-L99 HydrophobicContact CD1-CD1 3.64Å; I66-L99 HydrophobicContact CD1-CD2 3.64Å; I66-L99 HydrophobicContact CD1-CG 3.39Å; I66-L99 HydrophobicContact CG1-CD1 3.48Å; I66-L99 VanDerWaalsContact CG1-CD1 3.48Å; I66-L99 HydrophobicContact CG1-CD2 4.31Å; I66-L99 HydrophobicContact CG1-CG 3.49Å; I66-L99 VanDerWaalsContact CG1-CG 3.49Å
67T62.5Low75Confident111 Ų11149.2 Ų49.268%0.68129%0.287SS*.  trans-93.5-30.5179.462.30000111.8T65 E119T65-T67 PolarHBondContact O-N 3.42Å; T67-E119 PolarHBondContact OG1-OE1 3.13Å
68S79.7Confident75.8Confident23 Ų2352.8 Ų52.816%0.16130%0.304CS..  trans-96126.4-178.6-179.10000113.4I66 D70 C71 L72 E119I66-S68 WeakPolarHBondContact CG2-O 3.21Å; S68-D70 PolarHBondContact O-N 3.31Å; S68-D70 PolarHBondContact OG-N 3.49Å; S68-C71 PolarHBondContact O-N 3.29Å; S68-C71 VanDerWaalsContact O-N 3.14Å; S68-L72 PolarHBondContact O-N 3.18Å; S68-E119 PolarHBondContact N-OE1 2.62Å
69M83.3Confident77Confident125 Ų12551.1 Ų51.162%0.61629%0.292SS*.Hα-helixtrans-57.7-35.1170.3-76.1-59.9-58.100111.9C71 L72 E73M69-C71 VanDerWaalsContact C-N 3.28Å; M69-C71 PolarHBondContact O-N 2.92Å; M69-L72 WeakPolarHBondContact O-CB 3.37Å; M69-L72 PolarHBondContact O-N 3.47Å; M69-L72 VanDerWaalsContact O-N 3.14Å; M69-L72 HydrophobicContact SD-CD1 3.95Å; M69-E73 WeakPolarHBondContact O-CG 3.46Å; M69-E73 PolarHBondContact O-N 3.41Å
70D87Confident78.5Confident29 Ų2948.6 Ų48.616%0.15528%0.28CS..Hα-helixtrans-64-34.3177.9-73.919.7000112.2S68 E73 L74 T154 M157S68-D70 PolarHBondContact O-N 3.31Å; S68-D70 PolarHBondContact OG-N 3.49Å; D70-E73 PolarHBondContact O-N 3.29Å; D70-L74 VanDerWaalsContact O-CB 3.32Å; D70-L74 WeakPolarHBondContact O-CB 3.35Å; D70-L74 PolarHBondContact O-N 2.93Å; D70-T154 VanDerWaalsContact CG-CG2 3.48Å; D70-T154 VanDerWaalsContact OD1-CG2 3.29Å; D70-T154 WeakPolarHBondContact OD1-CG2 3.35Å; D70-T154 WeakPolarHBondContact OD2-CB 3.35Å; D70-T154 WeakPolarHBondContact OD2-CG2 3.26Å; D70-T154 PolarHBondContact OD2-OG1 3.3Å; D70-M157 HydrophobicContact CB-CB 4.43Å; D70-M157 HydrophobicContact CB-CE 3.75Å
71C88.2Confident80.2Confident0 Ų046.1 Ų46.10%026%0.262CS..Hα-helixtrans-71.2-36.3175-79.40000112.1I66 S68 M69 L74 L75 L115 E119I66-C71 HydrophobicContact CG2-CB 3.79Å; S68-C71 PolarHBondContact O-N 3.29Å; S68-C71 VanDerWaalsContact O-N 3.14Å; M69-C71 VanDerWaalsContact C-N 3.28Å; M69-C71 PolarHBondContact O-N 2.92Å; C71-L74 PolarHBondContact O-N 3.48Å; C71-L75 WeakPolarHBondContact O-CB 3.38Å; C71-L75 VanDerWaalsContact O-CG 3.28Å; C71-L75 WeakPolarHBondContact O-CG 3.38Å; C71-L75 PolarHBondContact O-N 2.8Å; C71-L115 HydrophobicContact CB-CD1 4.3Å; C71-E119 HydrophobicContact CB-CG 4.49Å; C71-E119 WeakPolarHBondContact SG-CG 3.17Å
72L86.9Confident81.8Confident33 Ų3344.9 Ų44.917%0.17325%0.254CS..Hα-helixtrans-62.3-44.3171.3-79.4164.3000111I66 S68 M69 L75 S76 I94I66-L72 HydrophobicContact CB-CD2 4.38Å; I66-L72 HydrophobicContact CB-CG 4.13Å; I66-L72 HydrophobicContact CD1-CD2 3.28Å; I66-L72 HydrophobicContact CD1-CG 3.74Å; I66-L72 HydrophobicContact CG1-CD2 4.43Å; I66-L72 HydrophobicContact CG2-CD1 4.42Å; I66-L72 HydrophobicContact CG2-CG 3.86Å; S68-L72 PolarHBondContact O-N 3.18Å; M69-L72 WeakPolarHBondContact O-CB 3.37Å; M69-L72 PolarHBondContact O-N 3.47Å; M69-L72 VanDerWaalsContact O-N 3.14Å; M69-L72 HydrophobicContact SD-CD1 3.95Å; L72-L75 CarbonylContact O-C 3.56Å; L72-L75 PolarHBondContact O-N 3.25Å; L72-S76 PolarHBondContact O-N 3.21Å; L72-I94 HydrophobicContact CD2-CG2 4.4Å
73E90.7Very high83.7Confident69 Ų6940.7 Ų40.732%0.32223%0.232SC..Hα-helixtrans-65.4-39.9176.5-71.6177175.600112.1M69 D70 S76 Q152 C153M69-E73 WeakPolarHBondContact O-CG 3.46Å; M69-E73 PolarHBondContact O-N 3.41Å; D70-E73 PolarHBondContact O-N 3.29Å; E73-S76 WeakPolarHBondContact O-CB 3.08Å; E73-S76 PolarHBondContact O-N 2.62Å; E73-S76 PolarHBondContact O-OG 3.15Å; E73-Q152 HydrophobicContact CB-CB 4.47Å; E73-C153 HydrophobicContact CB-CB 4.38Å
74L92.6Very high85.3Confident0 Ų036.5 Ų36.50%021%0.206CC..Hα-helixtrans-60.4-46.2173.4178.462.4000111.4D70 C71 S76 N77 M80 F84 L118 L151 C153 M157 L161D70-L74 VanDerWaalsContact O-CB 3.32Å; D70-L74 WeakPolarHBondContact O-CB 3.35Å; D70-L74 PolarHBondContact O-N 2.93Å; C71-L74 PolarHBondContact O-N 3.48Å; L74-S76 PolarHBondContact O-N 2.72Å; L74-N77 WeakPolarHBondContact O-CB 3.49Å; L74-N77 PolarHBondContact O-N 3.35Å; L74-M80 HydrophobicContact CD1-CG 3.78Å; L74-M80 HydrophobicContact CD1-SD 4.31Å; L74-M80 HydrophobicContact CG-CG 4.06Å; L74-F84 HydrophobicContact CD2-CE2 4.32Å; L74-F84 HydrophobicContact CD2-CZ 4.4Å; L74-L118 HydrophobicContact CD2-CD1 4.13Å; L74-L151 HydrophobicContact CD1-CD2 3.77Å; L74-C153 HydrophobicContact CB-CB 4.42Å; L74-M157 HydrophobicContact CD2-CG 4.33Å; L74-M157 HydrophobicContact CD2-SD 3.97Å; L74-L161 HydrophobicContact CD1-CD1 3.78Å; L74-L161 HydrophobicContact CD1-CD2 4.12Å; L74-L161 HydrophobicContact CD1-CG 4.4Å; L74-L161 HydrophobicContact CD2-CD2 4.14Å
75L91.5Very high86.9Confident0 Ų035.3 Ų35.30%020%0.198CC..THydrogen-bonded Turntrans-77.9-1.3179.8-65.9174.2000113.2I66 C71 L72 I81 F84 I94 L99I66-L75 HydrophobicContact CD1-CD1 4.19Å; C71-L75 WeakPolarHBondContact O-CB 3.38Å; C71-L75 VanDerWaalsContact O-CG 3.28Å; C71-L75 WeakPolarHBondContact O-CG 3.38Å; C71-L75 PolarHBondContact O-N 2.8Å; L72-L75 CarbonylContact O-C 3.56Å; L72-L75 PolarHBondContact O-N 3.25Å; L75-I81 HydrophobicContact CD2-CG1 4.38Å; L75-I81 WeakPolarHBondContact O-CD1 3.41Å; L75-I81 WeakPolarHBondContact O-CG1 3.33Å; L75-F84 HydrophobicContact CD2-CD2 3.8Å; L75-F84 HydrophobicContact CD2-CE2 3.87Å; L75-I94 HydrophobicContact CB-CD1 3.75Å; L75-I94 VanDerWaalsContact O-CD1 3.31Å; L75-I94 WeakPolarHBondContact O-CD1 3.23Å; L75-L99 HydrophobicContact CD1-CD1 3.69Å; L75-L99 HydrophobicContact CD1-CD2 3.93Å; L75-L99 HydrophobicContact CD1-CG 4.39Å
76S90.3Very high88.3Confident73 Ų7334 Ų3451%0.5119%0.186SC..THydrogen-bonded Turntrans-73.7-20.6166.578.80000112.3L72 E73 L74 Q78L72-S76 PolarHBondContact O-N 3.21Å; E73-S76 WeakPolarHBondContact O-CB 3.08Å; E73-S76 PolarHBondContact O-N 2.62Å; E73-S76 PolarHBondContact O-OG 3.15Å; L74-S76 PolarHBondContact O-N 2.72Å; S76-Q78 PolarHBondContact O-N 2.76Å
77N92.9Very high89.4Confident3 Ų336.2 Ų36.22%0.01620%0.201CC..  trans-80.1110.5176.7-176.2-37.1000110.6L74 T79 M80 I81 N147 D150 L151L74-N77 WeakPolarHBondContact O-CB 3.49Å; L74-N77 PolarHBondContact O-N 3.35Å; N77-T79 PolarHBondContact O-N 2.99Å; N77-T79 WeakPolarHBondContact OD1-CB 3.21Å; N77-T79 PolarHBondContact OD1-N 2.75Å; N77-T79 PolarHBondContact OD1-OG1 2.97Å; N77-M80 HydrophobicContact CB-CB 3.95Å; N77-M80 WeakPolarHBondContact O-CB 3.49Å; N77-M80 PolarHBondContact O-N 3.4Å; N77-M80 PolarHBondContact OD1-N 3.42Å; N77-M80 VanDerWaalsContact OD1-N 3.17Å; N77-I81 PolarHBondContact O-N 2.92Å; N77-N147 PolarHBondContact ND2-O 3.13Å; N77-D150 WeakPolarHBondContact ND2-CB 3.45Å; N77-L151 HydrophobicContact CB-CD2 4.2Å; N77-L151 WeakPolarHBondContact ND2-CD2 3.47Å
78Q92.8Very high90.7Very high76 Ų7632.3 Ų32.336%0.35517%0.174SC..Hα-helixtrans-61.1-31.3-176.8-166.562.429.100113.7Y24 S76 N82Y24-Q78 HydrophobicContact CE1-CG 4.43Å; Y24-Q78 PolarHBondContact OH-NE2 3.33Å; Y24-Q78 PolarHBondContact OH-O 3.2Å; S76-Q78 PolarHBondContact O-N 2.76Å; Q78-N82 PolarHBondContact O-N 2.93Å
79T94.7Very high91Very high40 Ų4034.6 Ų34.625%0.24518%0.184CC..Hα-helixtrans-74.3-31.3177.467.30000111.6N77 N82 H83 V146 N147N77-T79 PolarHBondContact O-N 2.99Å; N77-T79 WeakPolarHBondContact OD1-CB 3.21Å; N77-T79 PolarHBondContact OD1-N 2.75Å; N77-T79 PolarHBondContact OD1-OG1 2.97Å; T79-N82 PolarHBondContact O-N 3.46Å; T79-H83 WeakPolarHBondContact O-CB 3.28Å; T79-H83 PolarHBondContact O-N 3.49Å; T79-V146 WeakPolarHBondContact OG1-CA 3.2Å; T79-N147 HydrophobicContact CG2-CB 4.09Å; T79-N147 PolarHBondContact OG1-N 3.33Å
80M95.1Very high91.2Very high0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-69.3-41.8172.2-16667.4-162.100111.5L74 N77 N82 H83 F84 V146 L161 Y164 F165L74-M80 HydrophobicContact CD1-CG 3.78Å; L74-M80 HydrophobicContact CD1-SD 4.31Å; L74-M80 HydrophobicContact CG-CG 4.06Å; N77-M80 HydrophobicContact CB-CB 3.95Å; N77-M80 WeakPolarHBondContact O-CB 3.49Å; N77-M80 PolarHBondContact O-N 3.4Å; N77-M80 PolarHBondContact OD1-N 3.42Å; N77-M80 VanDerWaalsContact OD1-N 3.17Å; M80-N82 VanDerWaalsContact C-N 3.33Å; M80-N82 PolarHBondContact O-N 3.37Å; M80-H83 WeakPolarHBondContact O-CB 3.31Å; M80-H83 PolarHBondContact O-N 3Å; M80-F84 HydrophobicContact CE-CD1 4.06Å; M80-F84 HydrophobicContact CE-CD2 4.14Å; M80-F84 HydrophobicContact CE-CE1 3.41Å; M80-F84 VanDerWaalsContact CE-CE1 3.41Å; M80-F84 HydrophobicContact CE-CE2 3.49Å; M80-F84 VanDerWaalsContact CE-CE2 3.49Å; M80-F84 HydrophobicContact CE-CG 4.42Å; M80-F84 HydrophobicContact CE-CZ 3.1Å; M80-F84 HydrophobicContact CG-CD2 4.15Å; M80-F84 HydrophobicContact CG-CE2 3.83Å; M80-F84 HydrophobicContact CG-CZ 4.43Å; M80-F84 WeakPolarHBondContact O-CD2 3.38Å; M80-F84 PolarHBondContact O-N 2.92Å; M80-V146 HydrophobicContact CB-CG1 4.44Å; M80-V146 HydrophobicContact SD-CG1 3.97Å; M80-V146 HydrophobicContact SD-CG2 3.9Å; M80-L161 HydrophobicContact CE-CD2 3.65Å; M80-L161 HydrophobicContact SD-CD2 4.4Å; M80-Y164 HydrophobicContact CE-CD1 4.44Å; M80-Y164 HydrophobicContact CE-CE1 4.05Å; M80-F165 HydrophobicContact CE-CZ 4.5Å; M80-F165 HydrophobicContact SD-CZ 4.43Å
81I94.5Very high91.4Very high6 Ų627.2 Ų27.23%0.03115%0.147CC..Hα-helixtrans-56.7-49.9171.5-64.7166.5000109.9L75 N77 H83 F84 E85 I92 I94L75-I81 HydrophobicContact CD2-CG1 4.38Å; L75-I81 WeakPolarHBondContact O-CD1 3.41Å; L75-I81 WeakPolarHBondContact O-CG1 3.33Å; N77-I81 PolarHBondContact O-N 2.92Å; I81-H83 VanDerWaalsContact C-N 3.31Å; I81-H83 PolarHBondContact O-N 3.4Å; I81-F84 PolarHBondContact O-N 3.05Å; I81-E85 HydrophobicContact CG2-CG 4.17Å; I81-E85 WeakPolarHBondContact O-CB 3.28Å; I81-E85 WeakPolarHBondContact O-CG 3.3Å; I81-E85 PolarHBondContact O-N 3.46Å; I81-I92 HydrophobicContact CG2-CB 4.36Å; I81-I94 HydrophobicContact CD1-CD1 4.27Å
82N94.6Very high91.6Very high35 Ų3527.2 Ų27.219%0.18715%0.147CC..Hα-helixtrans-56.9-45.9178.2-169.723000111.8Y24 Q78 T79 M80 F84 E85 L86Y24-N82 HydrophobicContact CD1-CB 4.26Å; Y24-N82 HydrophobicContact CE1-CB 3.62Å; Y24-N82 HydrophobicContact CE2-CB 4.17Å; Q78-N82 PolarHBondContact O-N 2.93Å; T79-N82 PolarHBondContact O-N 3.46Å; M80-N82 VanDerWaalsContact C-N 3.33Å; M80-N82 PolarHBondContact O-N 3.37Å; N82-F84 PolarHBondContact O-N 2.68Å; N82-E85 PolarHBondContact O-N 3.28Å; N82-L86 WeakPolarHBondContact O-CB 3.34Å; N82-L86 WeakPolarHBondContact O-CG 3.38Å; N82-L86 PolarHBondContact O-N 2.67Å; N82-L86 WeakPolarHBondContact OD1-CD1 3.41Å
83H94.5Very high91.7Very high12 Ų1225.9 Ų25.96%0.05614%0.14CC..Hα-helixtrans-57-47.8177.4171.676.9000111.9T79 M80 I81 T87 Y144 V146 Y164 F165T79-H83 WeakPolarHBondContact O-CB 3.28Å; T79-H83 PolarHBondContact O-N 3.49Å; M80-H83 WeakPolarHBondContact O-CB 3.31Å; M80-H83 PolarHBondContact O-N 3Å; I81-H83 VanDerWaalsContact C-N 3.31Å; I81-H83 PolarHBondContact O-N 3.4Å; H83-T87 PolarHBondContact CE1-OG1 2.99Å; H83-T87 VanDerWaalsContact O-CB 3.22Å; H83-T87 WeakPolarHBondContact O-CB 3.14Å; H83-T87 PolarHBondContact O-N 3.24Å; H83-T87 PolarHBondContact O-OG1 3.5Å; H83-Y144 AromaticContact CE1-CD1 3.79Å; H83-V146 HydrophobicContact CB-CG2 3.75Å; H83-Y164 AromaticContact CD2-CE1 3.86Å; H83-Y164 PolarHBondContact CD2-OH 2.98Å; H83-Y164 AromaticContact NE2-CE1 3.25Å; H83-Y164 VanDerWaalsContact NE2-CE1 3.25Å; H83-Y164 WeakPolarHBondContact NE2-CE1 3.29Å; H83-Y164 AromaticContact NE2-CZ 3.4Å; H83-Y164 PolarHBondContact NE2-OH 3.38Å; H83-F165 AromaticContact NE2-CE1 3.85Å
84F94.2Very high91.5Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-66.4-42.1177.9-72.4-41.5000112.9L74 L75 M80 I81 N82 L86 T87 Y88 I92 F111 T114 L118 Y164L74-F84 HydrophobicContact CD2-CE2 4.32Å; L74-F84 HydrophobicContact CD2-CZ 4.4Å; L75-F84 HydrophobicContact CD2-CD2 3.8Å; L75-F84 HydrophobicContact CD2-CE2 3.87Å; M80-F84 HydrophobicContact CE-CD1 4.06Å; M80-F84 HydrophobicContact CE-CD2 4.14Å; M80-F84 HydrophobicContact CE-CE1 3.41Å; M80-F84 VanDerWaalsContact CE-CE1 3.41Å; M80-F84 HydrophobicContact CE-CE2 3.49Å; M80-F84 VanDerWaalsContact CE-CE2 3.49Å; M80-F84 HydrophobicContact CE-CG 4.42Å; M80-F84 HydrophobicContact CE-CZ 3.1Å; M80-F84 HydrophobicContact CG-CD2 4.15Å; M80-F84 HydrophobicContact CG-CE2 3.83Å; M80-F84 HydrophobicContact CG-CZ 4.43Å; M80-F84 WeakPolarHBondContact O-CD2 3.38Å; M80-F84 PolarHBondContact O-N 2.92Å; I81-F84 PolarHBondContact O-N 3.05Å; N82-F84 PolarHBondContact O-N 2.68Å; F84-L86 VanDerWaalsContact C-N 3.35Å; F84-L86 PolarHBondContact O-N 3.07Å; F84-T87 PolarHBondContact O-N 3.13Å; F84-Y88 HydrophobicContact CB-CD2 4.42Å; F84-Y88 HydrophobicContact CD1-CD2 4.36Å; F84-Y88 AromaticContact CD1-CE2 3.8Å; F84-Y88 HydrophobicContact CD1-CE2 3.8Å; F84-Y88 HydrophobicContact CE1-CE2 4.42Å; F84-Y88 VanDerWaalsContact O-CD2 3.29Å; F84-Y88 WeakPolarHBondContact O-CD2 3.37Å; F84-Y88 PolarHBondContact O-N 3.08Å; F84-I92 HydrophobicContact CB-CD1 3.7Å; F84-I92 HydrophobicContact CD2-CD1 4.4Å; F84-F111 HydrophobicContact CB-CD2 4.22Å; F84-F111 HydrophobicContact CB-CE2 3.89Å; F84-F111 HydrophobicContact CD1-CD2 4.36Å; F84-F111 HydrophobicContact CD1-CE2 4.14Å; F84-F111 AromaticContact CD2-CE2 3.78Å; F84-F111 HydrophobicContact CD2-CE2 3.78Å; F84-F111 HydrophobicContact CE2-CE2 4.22Å; F84-F111 HydrophobicContact CG-CD2 4.24Å; F84-F111 AromaticContact CG-CE2 3.71Å; F84-F111 HydrophobicContact CG-CE2 3.71Å; F84-T114 HydrophobicContact CE1-CG2 4.39Å; F84-L118 HydrophobicContact CE1-CD1 4.46Å; F84-L118 HydrophobicContact CZ-CD1 3.8Å; F84-Y164 AromaticContact CE1-CE1 3.92Å; F84-Y164 HydrophobicContact CE1-CE1 3.92Å; F84-Y164 HydrophobicContact CE1-CE2 4.43Å; F84-Y164 AromaticContact CE1-CZ 3.76Å
85E93.6Very high91Very high2 Ų228.7 Ų28.71%0.00915%0.154CC..Hα-helixtrans-61.1-43.1178.4-73.5-171.6173.400112.4R20 Y51 I81 N82 N89 I90 I92R20-E85 IonicContact CZ-OE1 3.4Å; R20-E85 IonicContact CZ-OE2 3.33Å; R20-E85 VanDerWaalsContact NH1-CD 3.34Å; R20-E85 IonicContact NH1-OE1 2.6Å; R20-E85 PolarHBondContact NH1-OE1 3.27Å; R20-E85 IonicContact NH1-OE2 3.19Å; R20-E85 PolarHBondContact NH1-OE2 2.93Å; R20-E85 IonicContact NH2-OE1 2.58Å; R20-E85 PolarHBondContact NH2-OE1 3.41Å; Y51-E85 VanDerWaalsContact CE2-OE2 3.3Å; Y51-E85 WeakPolarHBondContact CE2-OE2 3.41Å; Y51-E85 PolarHBondContact OH-OE2 3.38Å; I81-E85 HydrophobicContact CG2-CG 4.17Å; I81-E85 WeakPolarHBondContact O-CB 3.28Å; I81-E85 WeakPolarHBondContact O-CG 3.3Å; I81-E85 PolarHBondContact O-N 3.46Å; N82-E85 PolarHBondContact O-N 3.28Å; E85-N89 CarbonylContact O-C 3.52Å; E85-N89 WeakPolarHBondContact O-CA 3.19Å; E85-N89 PolarHBondContact O-N 3.08Å; E85-I90 WeakPolarHBondContact CA-O 3.26Å; E85-I90 VanDerWaalsContact CB-O 3.25Å; E85-I90 WeakPolarHBondContact CB-O 3.31Å; E85-I90 WeakPolarHBondContact CG-O 3.45Å; E85-I90 PolarHBondContact O-N 3.37Å; E85-I92 HydrophobicContact CG-CB 4.46Å; E85-I92 HydrophobicContact CG-CD1 4.23Å; E85-I92 HydrophobicContact CG-CG1 4.11Å; E85-I92 PolarHBondContact OE1-N 3.46Å
86L89Confident90.4Very high65 Ų6538.2 Ų38.234%0.3420%0.195SC..Hα-helixtrans-69.7-43.1176-69.6173.8000112.2N82 F84N82-L86 WeakPolarHBondContact O-CB 3.34Å; N82-L86 WeakPolarHBondContact O-CG 3.38Å; N82-L86 PolarHBondContact O-N 2.67Å; N82-L86 WeakPolarHBondContact OD1-CD1 3.41Å; F84-L86 VanDerWaalsContact C-N 3.35Å; F84-L86 PolarHBondContact O-N 3.07Å
87T89.7Confident89.9Confident59 Ų5937.7 Ų37.736%0.36219%0.191SC..Hα-helixtrans-66.1-42.6-176.2-600000111.8H83 F84 L168H83-T87 PolarHBondContact CE1-OG1 2.99Å; H83-T87 VanDerWaalsContact O-CB 3.22Å; H83-T87 WeakPolarHBondContact O-CB 3.14Å; H83-T87 PolarHBondContact O-N 3.24Å; H83-T87 PolarHBondContact O-OG1 3.5Å; F84-T87 PolarHBondContact O-N 3.13Å; T87-L168 HydrophobicContact CG2-CD2 4.18Å
88Y88.5Confident89.3Confident28 Ų2840.3 Ų40.311%0.1121%0.206CC..Hα-helixtrans-100.6-1.2-176.5-60.3-67000114F84 I90 G107 C110 F111 T114 Y164F84-Y88 HydrophobicContact CB-CD2 4.42Å; F84-Y88 HydrophobicContact CD1-CD2 4.36Å; F84-Y88 AromaticContact CD1-CE2 3.8Å; F84-Y88 HydrophobicContact CD1-CE2 3.8Å; F84-Y88 HydrophobicContact CE1-CE2 4.42Å; F84-Y88 VanDerWaalsContact O-CD2 3.29Å; F84-Y88 WeakPolarHBondContact O-CD2 3.37Å; F84-Y88 PolarHBondContact O-N 3.08Å; Y88-I90 VanDerWaalsContact C-N 3.33Å; Y88-I90 HydrophobicContact CD2-CD1 4.5Å; Y88-I90 WeakPolarHBondContact O-CG2 3.21Å; Y88-I90 PolarHBondContact O-N 3.47Å; Y88-G107 WeakPolarHBondContact O-CA 3.3Å; Y88-C110 HydrophobicContact CD1-CB 3.7Å; Y88-C110 HydrophobicContact CE1-CB 3.9Å; Y88-F111 HydrophobicContact CD1-CB 4.37Å; Y88-F111 HydrophobicContact CD2-CB 3.79Å; Y88-F111 AromaticContact CD2-CD2 3.64Å; Y88-F111 HydrophobicContact CD2-CD2 3.64Å; Y88-F111 HydrophobicContact CD2-CG 4.16Å; Y88-F111 HydrophobicContact CE2-CB 4.34Å; Y88-F111 AromaticContact CE2-CD2 3.87Å; Y88-F111 HydrophobicContact CE2-CD2 3.87Å; Y88-F111 HydrophobicContact CG-CB 3.82Å; Y88-T114 WeakPolarHBondContact OH-CG2 3.43Å; Y88-T114 PolarHBondContact OH-OG1 2.89Å; Y88-Y164 VanDerWaalsContact OH-CE2 3.32Å; Y88-Y164 WeakPolarHBondContact OH-CE2 3.38Å
89N85.9Confident89Confident71 Ų7136.7 Ų36.738%0.3819%0.189SC..THydrogen-bonded Turntrans55.848-176.8-152.841.3000111.9R54 E85R54-N89 WeakPolarHBondContact CD-O 3.5Å; R54-N89 PolarHBondContact NE-O 2.91Å; R54-N89 PolarHBondContact NH1-OD1 3.5Å; R54-N89 VanDerWaalsContact NH2-CG 3.32Å; R54-N89 PolarHBondContact NH2-ND2 3.19Å; R54-N89 PolarHBondContact NH2-OD1 2.97Å; E85-N89 CarbonylContact O-C 3.52Å; E85-N89 WeakPolarHBondContact O-CA 3.19Å; E85-N89 PolarHBondContact O-N 3.08Å
90I88.9Confident88.6Confident0 Ų036.3 Ų36.30%019%0.185CC..EExtended strand (participates in β ladder)trans-126.5175.3-177.162.5179.2000111.1E85 Y88 I92 I101 K102 I108 F111E85-I90 WeakPolarHBondContact CA-O 3.26Å; E85-I90 VanDerWaalsContact CB-O 3.25Å; E85-I90 WeakPolarHBondContact CB-O 3.31Å; E85-I90 WeakPolarHBondContact CG-O 3.45Å; E85-I90 PolarHBondContact O-N 3.37Å; Y88-I90 VanDerWaalsContact C-N 3.33Å; Y88-I90 HydrophobicContact CD2-CD1 4.5Å; Y88-I90 WeakPolarHBondContact O-CG2 3.21Å; Y88-I90 PolarHBondContact O-N 3.47Å; I90-I92 HydrophobicContact CD1-CD1 4.26Å; I90-I92 HydrophobicContact CD1-CG1 4.02Å; I90-I92 HydrophobicContact CG1-CG1 4.33Å; I90-I101 HydrophobicContact CB-CG2 4.05Å; I90-I101 HydrophobicContact CD1-CG2 3.87Å; I90-I101 HydrophobicContact CG1-CG2 4.43Å; I90-I101 HydrophobicContact CG2-CG2 4.3Å; I90-K102 CarbonylContact C-O 3.41Å; I90-K102 VanDerWaalsContact CA-O 3.23Å; I90-K102 WeakPolarHBondContact CA-O 3.37Å; I90-K102 WeakPolarHBondContact CB-O 2.84Å; I90-I108 HydrophobicContact CG2-CG1 3.95Å; I90-F111 HydrophobicContact CD1-CB 3.49Å; I90-F111 VanDerWaalsContact CD1-CB 3.49Å; I90-F111 HydrophobicContact CD1-CD1 3.65Å; I90-F111 HydrophobicContact CD1-CD2 3.84Å; I90-F111 HydrophobicContact CD1-CE1 4.33Å; I90-F111 HydrophobicContact CD1-CE2 4.5Å; I90-F111 HydrophobicContact CD1-CG 3.35Å
91V91Very high88.3Confident0 Ų036.3 Ų36.30%019%0.185CC..EExtended strand (participates in β ladder)trans-125.7129.3168.2175.80000107.8Y51 R54 F55 I93 I101 K102Y51-V91 HydrophobicContact CE2-CG2 4.13Å; R54-V91 HydrophobicContact CB-CG2 4.3Å; R54-V91 HydrophobicContact CG-CG2 4.05Å; F55-V91 HydrophobicContact CB-CG2 4.35Å; F55-V91 HydrophobicContact CD2-CG1 3.43Å; F55-V91 VanDerWaalsContact CD2-CG1 3.43Å; F55-V91 HydrophobicContact CD2-CG2 4.39Å; F55-V91 HydrophobicContact CE2-CG1 3.79Å; F55-V91 HydrophobicContact CG-CG1 4.28Å; V91-I93 HydrophobicContact CG1-CD1 4.45Å; V91-I93 HydrophobicContact CG1-CG1 4.09Å; V91-I101 CarbonylContact O-C 3.58Å; V91-I101 WeakPolarHBondContact O-CA 3.3Å; V91-K102 HydrophobicContact CB-CB 4.2Å; V91-K102 PolarHBondContact N-O 2.85Å; V91-K102 PolarHBondContact O-N 2.84Å
92I91.2Very high87.9Confident0 Ų037.1 Ų37.10%019%0.188CC..EExtended strand (participates in β ladder)trans-107.7121.8179.6-58.8169.7000107.9R20 I81 F84 E85 I90 I94 L99 F111R20-I92 PolarHBondContact NH1-O 3.48Å; R20-I92 VanDerWaalsContact NH1-O 3.17Å; R20-I92 PolarHBondContact NH2-O 2.79Å; I81-I92 HydrophobicContact CG2-CB 4.36Å; F84-I92 HydrophobicContact CB-CD1 3.7Å; F84-I92 HydrophobicContact CD2-CD1 4.4Å; E85-I92 HydrophobicContact CG-CB 4.46Å; E85-I92 HydrophobicContact CG-CD1 4.23Å; E85-I92 HydrophobicContact CG-CG1 4.11Å; E85-I92 PolarHBondContact OE1-N 3.46Å; I90-I92 HydrophobicContact CD1-CD1 4.26Å; I90-I92 HydrophobicContact CD1-CG1 4.02Å; I90-I92 HydrophobicContact CG1-CG1 4.33Å; I92-I94 HydrophobicContact CG2-CG1 4.48Å; I92-L99 HydrophobicContact CG2-CD2 3.86Å; I92-F111 HydrophobicContact CD1-CE1 4.17Å; I92-F111 HydrophobicContact CD1-CE2 3.78Å; I92-F111 HydrophobicContact CD1-CZ 3.56Å; I92-F111 HydrophobicContact CG1-CE1 4.35Å; I92-F111 HydrophobicContact CG1-CZ 4.22Å
93I89.1Confident87.2Confident4 Ų435.4 Ų35.42%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-119.4122.5174.5-57.7171.7000108.2N13 F55 V91 K95 I100 K102N13-I93 HydrophobicContact CB-CG2 4.44Å; F55-I93 HydrophobicContact CE1-CD1 4.3Å; F55-I93 HydrophobicContact CE2-CD1 4.01Å; F55-I93 HydrophobicContact CE2-CG1 4.24Å; F55-I93 HydrophobicContact CZ-CD1 3.72Å; F55-I93 HydrophobicContact CZ-CG1 4.34Å; V91-I93 HydrophobicContact CG1-CD1 4.45Å; V91-I93 HydrophobicContact CG1-CG1 4.09Å; I93-K95 HydrophobicContact CG2-CG 4.36Å; I93-I100 HydrophobicContact CB-CB 4.21Å; I93-I100 PolarHBondContact N-O 3.1Å; I93-I100 PolarHBondContact O-N 2.84Å; I93-K102 HydrophobicContact CD1-CD 4.38Å
94I87.1Confident86.3Confident61 Ų6136.4 Ų36.431%0.31319%0.187SC..EExtended strand (participates in β ladder)trans-95.1121.1-180-45.8-178000108.8L72 L75 I81 I92 L99L72-I94 HydrophobicContact CD2-CG2 4.4Å; L75-I94 HydrophobicContact CB-CD1 3.75Å; L75-I94 VanDerWaalsContact O-CD1 3.31Å; L75-I94 WeakPolarHBondContact O-CD1 3.23Å; I81-I94 HydrophobicContact CD1-CD1 4.27Å; I92-I94 HydrophobicContact CG2-CG1 4.48Å; I94-L99 HydrophobicContact CB-CD2 4.28Å; I94-L99 HydrophobicContact CD1-CD2 4.46Å; I94-L99 HydrophobicContact CG1-CD2 3.68Å; I94-L99 HydrophobicContact CG2-CD2 4.33Å
95K81.4Confident85.6Confident67 Ų6739.6 Ų39.629%0.29121%0.206SC..EExtended strand (participates in β ladder)trans-123.1100.8173.4-72.5-167.1-179.6-178.40109.6E12 N13 I93 S97 N98 I100E12-K95 IonicContact OE2-NZ 2.76Å; E12-K95 PolarHBondContact OE2-NZ 3.33Å; N13-K95 WeakPolarHBondContact ND2-CE 3.39Å; N13-K95 WeakPolarHBondContact OD1-CE 3.48Å; I93-K95 HydrophobicContact CG2-CG 4.36Å; K95-S97 PolarHBondContact O-N 3.5Å; K95-S97 VanDerWaalsContact O-N 3.1Å; K95-N98 PolarHBondContact N-O 2.85Å; K95-N98 PolarHBondContact O-N 3.38Å; K95-I100 HydrophobicContact CD-CD1 3.7Å; K95-I100 HydrophobicContact CG-CD1 4.25Å
96K80.1Confident84.8Confident200 Ų20043.7 Ų43.787%0.8723%0.233SC*.THydrogen-bonded Turntrans58.2-107.5-172.4-55.6177178.6179.90109.9
97S78.4Confident84.5Confident62 Ų6241 Ų4143%0.43422%0.221SC..THydrogen-bonded Turntrans-106.97.7177.9-47.70000113.2I66 K95I66-S97 PolarHBondContact N-O 2.81Å; K95-S97 PolarHBondContact O-N 3.5Å; K95-S97 VanDerWaalsContact O-N 3.1Å
98N81.4Confident84.3Confident59 Ų5938.4 Ų38.432%0.31621%0.205SC..EExtended strand (participates in β ladder)trans-106142.2179.6-63.2-57.7000111.2V63 K95V63-N98 HydrophobicContact CG1-CB 3.83Å; K95-N98 PolarHBondContact N-O 2.85Å; K95-N98 PolarHBondContact O-N 3.38Å
99L86.1Confident84.1Confident0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-104.5125.6170.2-67.3175.8000110V63 S64 I66 L75 I92 I94 I101 L115V63-L99 CarbonylContact C-O 3.57Å; V63-L99 VanDerWaalsContact CA-O 3.24Å; V63-L99 WeakPolarHBondContact CA-O 3.46Å; S64-L99 PolarHBondContact N-O 2.97Å; S64-L99 PolarHBondContact O-N 3.33Å; I66-L99 HydrophobicContact CD1-CD1 3.64Å; I66-L99 HydrophobicContact CD1-CD2 3.64Å; I66-L99 HydrophobicContact CD1-CG 3.39Å; I66-L99 HydrophobicContact CG1-CD1 3.48Å; I66-L99 VanDerWaalsContact CG1-CD1 3.48Å; I66-L99 HydrophobicContact CG1-CD2 4.31Å; I66-L99 HydrophobicContact CG1-CG 3.49Å; I66-L99 VanDerWaalsContact CG1-CG 3.49Å; L75-L99 HydrophobicContact CD1-CD1 3.69Å; L75-L99 HydrophobicContact CD1-CD2 3.93Å; L75-L99 HydrophobicContact CD1-CG 4.39Å; I92-L99 HydrophobicContact CG2-CD2 3.86Å; I94-L99 HydrophobicContact CB-CD2 4.28Å; I94-L99 HydrophobicContact CD1-CD2 4.46Å; I94-L99 HydrophobicContact CG1-CD2 3.68Å; I94-L99 HydrophobicContact CG2-CD2 4.33Å; L99-I101 HydrophobicContact CB-CG1 4.45Å; L99-L115 HydrophobicContact CD1-CD2 3.9Å
100I86.1Confident84.2Confident31 Ų3141.1 Ų41.116%0.15922%0.22CC..EExtended strand (participates in β ladder)trans-99.9118.4165.7-59.6171.1000106.7V63 I93 K95 K102V63-I100 HydrophobicContact CG2-CG1 4.4Å; I93-I100 HydrophobicContact CB-CB 4.21Å; I93-I100 PolarHBondContact N-O 3.1Å; I93-I100 PolarHBondContact O-N 2.84Å; K95-I100 HydrophobicContact CD-CD1 3.7Å; K95-I100 HydrophobicContact CG-CD1 4.25Å; I100-K102 HydrophobicContact CG2-CG 4.39Å
101I88.2Confident84.3Confident1 Ų141.1 Ų41.11%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-108.4129.2178.8-51157.9000109V61 I90 V91 L99 I108 F111V61-I101 PolarHBondContact N-O 3.3Å; I90-I101 HydrophobicContact CB-CG2 4.05Å; I90-I101 HydrophobicContact CD1-CG2 3.87Å; I90-I101 HydrophobicContact CG1-CG2 4.43Å; I90-I101 HydrophobicContact CG2-CG2 4.3Å; V91-I101 CarbonylContact O-C 3.58Å; V91-I101 WeakPolarHBondContact O-CA 3.3Å; L99-I101 HydrophobicContact CB-CG1 4.45Å; I101-I108 HydrophobicContact CB-CG2 4.49Å; I101-I108 HydrophobicContact CG2-CD1 4.3Å; I101-I108 HydrophobicContact CG2-CG1 3.82Å; I101-I108 HydrophobicContact CG2-CG2 4.29Å; I101-F111 HydrophobicContact CD1-CD1 3.66Å; I101-F111 HydrophobicContact CD1-CE1 3.7Å; I101-F111 HydrophobicContact CG1-CD1 4.3Å; I101-F111 HydrophobicContact CG1-CE1 4.14Å; I101-F111 HydrophobicContact CG2-CD1 4.5Å
102K86.4Confident84.1Confident22 Ų2242.8 Ų42.810%0.09623%0.232CC..EExtended strand (participates in β ladder)trans-119143.5176.6-49.6-173.7171.1-165.80110.5F55 S60 I90 V91 I93 I100F55-K102 WeakPolarHBondContact O-CD 2.96Å; F55-K102 WeakPolarHBondContact O-CE 3.31Å; F55-K102 PolarHBondContact O-NZ 2.96Å; S60-K102 WeakPolarHBondContact OG-CE 3.08Å; I90-K102 CarbonylContact C-O 3.41Å; I90-K102 VanDerWaalsContact CA-O 3.23Å; I90-K102 WeakPolarHBondContact CA-O 3.37Å; I90-K102 WeakPolarHBondContact CB-O 2.84Å; V91-K102 HydrophobicContact CB-CB 4.2Å; V91-K102 PolarHBondContact N-O 2.85Å; V91-K102 PolarHBondContact O-N 2.84Å; I93-K102 HydrophobicContact CD1-CD 4.38Å; I100-K102 HydrophobicContact CG2-CG 4.39Å
103G80.7Confident84Confident0 Ų050.4 Ų50.40%026%0.261CS..EExtended strand (participates in β ladder)trans144.1-170.8-17800000111.7I108G103-I108 WeakPolarHBondContact O-CD1 3.41Å
104C75.3Confident84.1Confident32 Ų3251.1 Ų51.122%0.21627%0.265CS..  trans-73.7147.417965.50000111.1P106 G107 I108 H190C104-P106 VanDerWaalsContact C-CD 3.45Å; C104-P106 VanDerWaalsContact C-N 3.34Å; C104-G107 PolarHBondContact O-N 3.29Å; C104-G107 VanDerWaalsContact O-N 3.1Å; C104-I108 WeakPolarHBondContact O-CG1 3.19Å; C104-I108 PolarHBondContact O-N 3.26Å; C104-H190 PolarHBondContact N-NE2 3.34Å
105T79.2Confident84.3Confident67 Ų6748.8 Ų48.841%0.41125%0.253SS..Hα-helixtrans-52.6-41.5-179.2-50.30000114.1I108 K109T105-I108 PolarHBondContact O-N 3.18Å; T105-K109 HydrophobicContact CG2-CD 4.24Å; T105-K109 HydrophobicContact CG2-CG 4.38Å; T105-K109 WeakPolarHBondContact O-CB 3.45Å; T105-K109 WeakPolarHBondContact O-CG 3.5Å; T105-K109 PolarHBondContact O-N 2.87Å
106P77.8Confident84.6Confident88 Ų8851.6 Ų51.657%0.57127%0.267SS*.Hα-helixtrans-62.7-44.2176.8-23.635.4000113.1C104 I108 K109 C110C104-P106 VanDerWaalsContact C-CD 3.45Å; C104-P106 VanDerWaalsContact C-N 3.34Å; P106-I108 PolarHBondContact O-N 3.44Å; P106-K109 PolarHBondContact O-N 3.36Å; P106-C110 WeakPolarHBondContact O-CB 3.11Å; P106-C110 PolarHBondContact O-N 3.32Å; P106-C110 PolarHBondContact O-SG 3.32Å
107G82.1Confident85.1Confident8 Ų846.6 Ų46.68%0.08225%0.249CC..Hα-helixtrans-61.4-44.5178.100000111.8Y88 C104 C110 F111Y88-G107 WeakPolarHBondContact O-CA 3.3Å; C104-G107 PolarHBondContact O-N 3.29Å; C104-G107 VanDerWaalsContact O-N 3.1Å; G107-C110 PolarHBondContact O-N 3.3Å; G107-F111 WeakPolarHBondContact O-CB 3.23Å; G107-F111 PolarHBondContact O-N 2.92Å
108I85.9Confident85.7Confident6 Ų643.9 Ų43.93%0.03123%0.23CC..Hα-helixtrans-61.8-48.4175.9-61.8177.9000110.8V61 I90 I101 G103 C104 T105 P106 C110 F111 S112V61-I108 HydrophobicContact CB-CD1 3.71Å; V61-I108 HydrophobicContact CG2-CD1 4.25Å; I90-I108 HydrophobicContact CG2-CG1 3.95Å; I101-I108 HydrophobicContact CB-CG2 4.49Å; I101-I108 HydrophobicContact CG2-CD1 4.3Å; I101-I108 HydrophobicContact CG2-CG1 3.82Å; I101-I108 HydrophobicContact CG2-CG2 4.29Å; G103-I108 WeakPolarHBondContact O-CD1 3.41Å; C104-I108 WeakPolarHBondContact O-CG1 3.19Å; C104-I108 PolarHBondContact O-N 3.26Å; T105-I108 PolarHBondContact O-N 3.18Å; P106-I108 PolarHBondContact O-N 3.44Å; I108-C110 VanDerWaalsContact C-N 3.32Å; I108-C110 PolarHBondContact O-N 3.41Å; I108-F111 PolarHBondContact O-N 3.04Å; I108-S112 WeakPolarHBondContact O-CB 3.36Å; I108-S112 PolarHBondContact O-N 3.5Å; I108-S112 PolarHBondContact O-OG 3.03Å; I108-S112 VanDerWaalsContact O-OG 3.06Å
109K84.5Confident86Confident100 Ų10042.4 Ų42.444%0.43522%0.221SC..Hα-helixtrans-57.9-43177-77.6-178.5177-176.60111.9T105 P106 R113 D183T105-K109 HydrophobicContact CG2-CD 4.24Å; T105-K109 HydrophobicContact CG2-CG 4.38Å; T105-K109 WeakPolarHBondContact O-CB 3.45Å; T105-K109 WeakPolarHBondContact O-CG 3.5Å; T105-K109 PolarHBondContact O-N 2.87Å; P106-K109 PolarHBondContact O-N 3.36Å; K109-R113 VanDerWaalsContact O-CG 3.31Å; K109-R113 WeakPolarHBondContact O-CG 3.41Å; K109-R113 PolarHBondContact O-N 2.95Å; K109-R113 VanDerWaalsContact O-N 3.08Å; K109-D183 IonicContact NZ-OD2 2.95Å
110C87.7Confident86.1Confident56 Ų5644.6 Ų44.638%0.37824%0.236SC..Hα-helixtrans-65.6-44.1178.1-72.20000112.3Y88 P106 G107 I108 R113 T114Y88-C110 HydrophobicContact CD1-CB 3.7Å; Y88-C110 HydrophobicContact CE1-CB 3.9Å; P106-C110 WeakPolarHBondContact O-CB 3.11Å; P106-C110 PolarHBondContact O-N 3.32Å; P106-C110 PolarHBondContact O-SG 3.32Å; G107-C110 PolarHBondContact O-N 3.3Å; I108-C110 VanDerWaalsContact C-N 3.32Å; I108-C110 PolarHBondContact O-N 3.41Å; C110-R113 PolarHBondContact O-N 2.92Å; C110-T114 PolarHBondContact O-N 3.06Å; C110-T114 PolarHBondContact O-OG1 3.26Å
111F90.6Very high86Confident0 Ų047.5 Ų47.50%025%0.248CC..Hα-helixtrans-63.8-45.5175.8174.5-108.4000111.9F84 Y88 I90 I92 I101 G107 I108 R113 T114 L115F84-F111 HydrophobicContact CB-CD2 4.22Å; F84-F111 HydrophobicContact CB-CE2 3.89Å; F84-F111 HydrophobicContact CD1-CD2 4.36Å; F84-F111 HydrophobicContact CD1-CE2 4.14Å; F84-F111 AromaticContact CD2-CE2 3.78Å; F84-F111 HydrophobicContact CD2-CE2 3.78Å; F84-F111 HydrophobicContact CE2-CE2 4.22Å; F84-F111 HydrophobicContact CG-CD2 4.24Å; F84-F111 AromaticContact CG-CE2 3.71Å; F84-F111 HydrophobicContact CG-CE2 3.71Å; Y88-F111 HydrophobicContact CD1-CB 4.37Å; Y88-F111 HydrophobicContact CD2-CB 3.79Å; Y88-F111 AromaticContact CD2-CD2 3.64Å; Y88-F111 HydrophobicContact CD2-CD2 3.64Å; Y88-F111 HydrophobicContact CD2-CG 4.16Å; Y88-F111 HydrophobicContact CE2-CB 4.34Å; Y88-F111 AromaticContact CE2-CD2 3.87Å; Y88-F111 HydrophobicContact CE2-CD2 3.87Å; Y88-F111 HydrophobicContact CG-CB 3.82Å; I90-F111 HydrophobicContact CD1-CB 3.49Å; I90-F111 VanDerWaalsContact CD1-CB 3.49Å; I90-F111 HydrophobicContact CD1-CD1 3.65Å; I90-F111 HydrophobicContact CD1-CD2 3.84Å; I90-F111 HydrophobicContact CD1-CE1 4.33Å; I90-F111 HydrophobicContact CD1-CE2 4.5Å; I90-F111 HydrophobicContact CD1-CG 3.35Å; I92-F111 HydrophobicContact CD1-CE1 4.17Å; I92-F111 HydrophobicContact CD1-CE2 3.78Å; I92-F111 HydrophobicContact CD1-CZ 3.56Å; I92-F111 HydrophobicContact CG1-CE1 4.35Å; I92-F111 HydrophobicContact CG1-CZ 4.22Å; I101-F111 HydrophobicContact CD1-CD1 3.66Å; I101-F111 HydrophobicContact CD1-CE1 3.7Å; I101-F111 HydrophobicContact CG1-CD1 4.3Å; I101-F111 HydrophobicContact CG1-CE1 4.14Å; I101-F111 HydrophobicContact CG2-CD1 4.5Å; G107-F111 WeakPolarHBondContact O-CB 3.23Å; G107-F111 PolarHBondContact O-N 2.92Å; I108-F111 PolarHBondContact O-N 3.04Å; F111-R113 VanDerWaalsContact C-N 3.32Å; F111-R113 PolarHBondContact O-N 3.5Å; F111-T114 WeakPolarHBondContact O-CB 3.5Å; F111-T114 PolarHBondContact O-N 3.49Å; F111-T114 VanDerWaalsContact O-N 3.07Å; F111-L115 HydrophobicContact CE1-CD2 4.43Å; F111-L115 HydrophobicContact CZ-CD2 4.5Å; F111-L115 PolarHBondContact O-N 3.42Å
112S88Confident85.8Confident34 Ų3448.2 Ų48.224%0.23825%0.253CS..Hα-helixtrans-59.5-41.2177.7-610000112.4I108 T114 L115 H116I108-S112 WeakPolarHBondContact O-CB 3.36Å; I108-S112 PolarHBondContact O-N 3.5Å; I108-S112 PolarHBondContact O-OG 3.03Å; I108-S112 VanDerWaalsContact O-OG 3.06Å; S112-T114 VanDerWaalsContact C-N 3.34Å; S112-L115 PolarHBondContact O-N 3.25Å; S112-H116 WeakPolarHBondContact O-CB 3.31Å; S112-H116 PolarHBondContact O-N 3.41Å
113R89.1Confident85.5Confident161 Ų16153.9 Ų53.961%0.60828%0.28SS*.Hα-helixtrans-62-43.1173.6-73.9171.8-179.4170.9-0.6111.7K109 C110 F111 H116 L117K109-R113 VanDerWaalsContact O-CG 3.31Å; K109-R113 WeakPolarHBondContact O-CG 3.41Å; K109-R113 PolarHBondContact O-N 2.95Å; K109-R113 VanDerWaalsContact O-N 3.08Å; C110-R113 PolarHBondContact O-N 2.92Å; F111-R113 VanDerWaalsContact C-N 3.32Å; F111-R113 PolarHBondContact O-N 3.5Å; R113-H116 PolarHBondContact O-N 3.23Å; R113-L117 VanDerWaalsContact O-CG 3.3Å; R113-L117 WeakPolarHBondContact O-CG 3.34Å; R113-L117 PolarHBondContact O-N 3.4Å
114T91.3Very high85.1Confident19 Ų1958 Ų5812%0.11731%0.305CS..Hα-helixtrans-63.5-44.6178.4-58.80000111.5F84 Y88 C110 F111 S112 L117 L118 Y164F84-T114 HydrophobicContact CE1-CG2 4.39Å; Y88-T114 WeakPolarHBondContact OH-CG2 3.43Å; Y88-T114 PolarHBondContact OH-OG1 2.89Å; C110-T114 PolarHBondContact O-N 3.06Å; C110-T114 PolarHBondContact O-OG1 3.26Å; F111-T114 WeakPolarHBondContact O-CB 3.5Å; F111-T114 PolarHBondContact O-N 3.49Å; F111-T114 VanDerWaalsContact O-N 3.07Å; S112-T114 VanDerWaalsContact C-N 3.34Å; T114-L117 PolarHBondContact O-N 2.89Å; T114-L118 HydrophobicContact CG2-CD1 4.26Å; T114-L118 WeakPolarHBondContact O-CG 3.44Å; T114-L118 PolarHBondContact O-N 3.02Å; T114-Y164 HydrophobicContact CG2-CD2 3.67Å; T114-Y164 HydrophobicContact CG2-CE2 3.57Å
115L90.2Very high84.2Confident11 Ų1166.3 Ų66.36%0.05834%0.338CS..Hα-helixtrans-61.2-46.4177.8-169.765.5000111C71 L99 F111 S112 L117 L118 E119C71-L115 HydrophobicContact CB-CD1 4.3Å; L99-L115 HydrophobicContact CD1-CD2 3.9Å; F111-L115 HydrophobicContact CE1-CD2 4.43Å; F111-L115 HydrophobicContact CZ-CD2 4.5Å; F111-L115 PolarHBondContact O-N 3.42Å; S112-L115 PolarHBondContact O-N 3.25Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L115-L117 PolarHBondContact O-N 3.28Å; L115-L118 WeakPolarHBondContact O-CB 3.16Å; L115-L118 PolarHBondContact O-N 2.99Å; L115-E119 PolarHBondContact O-N 2.67Å
116H88.5Confident83.3Confident126 Ų12669.7 Ų69.758%0.58336%0.363SS*.Hα-helixtrans-61.3-38.7175.6-176.1-61.9000112.4S112 R113 E119 S120S112-H116 WeakPolarHBondContact O-CB 3.31Å; S112-H116 PolarHBondContact O-N 3.41Å; R113-H116 PolarHBondContact O-N 3.23Å; H116-E119 PolarHBondContact O-N 2.69Å; H116-S120 WeakPolarHBondContact O-CB 3.31Å; H116-S120 PolarHBondContact O-N 2.92Å; H116-S120 PolarHBondContact O-OG 3.05Å
117L89.4Confident83Confident96 Ų9667.2 Ų67.250%0.50335%0.349SS..Hα-helixtrans-63.3-47175.4-74.1170.4000110.7R113 T114 L115 E119 S120 F121R113-L117 VanDerWaalsContact O-CG 3.3Å; R113-L117 WeakPolarHBondContact O-CG 3.34Å; R113-L117 PolarHBondContact O-N 3.4Å; T114-L117 PolarHBondContact O-N 2.89Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L115-L117 PolarHBondContact O-N 3.28Å; L117-E119 PolarHBondContact O-N 3.32Å; L117-S120 WeakPolarHBondContact CA-OG 3.45Å; L117-S120 PolarHBondContact O-N 2.93Å; L117-S120 PolarHBondContact O-OG 2.89Å; L117-F121 VanDerWaalsContact O-CD2 3.3Å; L117-F121 WeakPolarHBondContact O-CD2 3.42Å; L117-F121 PolarHBondContact O-N 2.84Å
118L91.2Very high83.1Confident5 Ų574.8 Ų74.83%0.02638%0.376CS..Hα-helixtrans-57.9-46.3176.2-70170000111.8L74 F84 T114 L115 F121 S122 M157 A160 L161L74-L118 HydrophobicContact CD2-CD1 4.13Å; F84-L118 HydrophobicContact CE1-CD1 4.46Å; F84-L118 HydrophobicContact CZ-CD1 3.8Å; T114-L118 HydrophobicContact CG2-CD1 4.26Å; T114-L118 WeakPolarHBondContact O-CG 3.44Å; T114-L118 PolarHBondContact O-N 3.02Å; L115-L118 WeakPolarHBondContact O-CB 3.16Å; L115-L118 PolarHBondContact O-N 2.99Å; L118-F121 PolarHBondContact O-N 3Å; L118-S122 WeakPolarHBondContact O-CB 3.19Å; L118-S122 PolarHBondContact O-N 3.12Å; L118-S122 PolarHBondContact O-OG 3.26Å; L118-M157 HydrophobicContact CB-SD 4.06Å; L118-M157 HydrophobicContact CD2-SD 4.37Å; L118-A160 HydrophobicContact CD2-CB 3.81Å; L118-L161 HydrophobicContact CD2-CD2 4.19Å
119E88.5Confident83.2Confident27 Ų2775 Ų7513%0.12638%0.378CS..Hα-helixtrans-57.5-53.2175-74-178142.800110.7T67 S68 C71 L115 H116 L117 F121 S122 E123T67-E119 PolarHBondContact OG1-OE1 3.13Å; S68-E119 PolarHBondContact N-OE1 2.62Å; C71-E119 HydrophobicContact CB-CG 4.49Å; C71-E119 WeakPolarHBondContact SG-CG 3.17Å; L115-E119 PolarHBondContact O-N 2.67Å; H116-E119 PolarHBondContact O-N 2.69Å; L117-E119 PolarHBondContact O-N 3.32Å; E119-F121 VanDerWaalsContact C-N 3.32Å; E119-F121 PolarHBondContact O-N 2.99Å; E119-S122 PolarHBondContact O-N 3.11Å; E119-S122 PolarHBondContact O-OG 3.25Å; E119-E123 PolarHBondContact O-N 3.43Å
120S87.7Confident83.6Confident46 Ų4671.9 Ų71.932%0.32237%0.369SS..Hα-helixtrans-60.7-36-178.870.10000114H116 L117H116-S120 WeakPolarHBondContact O-CB 3.31Å; H116-S120 PolarHBondContact O-N 2.92Å; H116-S120 PolarHBondContact O-OG 3.05Å; L117-S120 WeakPolarHBondContact CA-OG 3.45Å; L117-S120 PolarHBondContact O-N 2.93Å; L117-S120 PolarHBondContact O-OG 2.89Å
121F84.7Confident83.9Confident93 Ų9375.7 Ų75.741%0.40839%0.385SS..Hα-helixtrans-70.9-38.9175.2-90.7-77.7000111.2L117 L118 E119 E123 T124 A160L117-F121 VanDerWaalsContact O-CD2 3.3Å; L117-F121 WeakPolarHBondContact O-CD2 3.42Å; L117-F121 PolarHBondContact O-N 2.84Å; L118-F121 PolarHBondContact O-N 3Å; E119-F121 VanDerWaalsContact C-N 3.32Å; E119-F121 PolarHBondContact O-N 2.99Å; F121-E123 VanDerWaalsContact C-N 3.25Å; F121-E123 PolarHBondContact O-N 3.2Å; F121-T124 PolarHBondContact O-N 3.15Å; F121-T124 PolarHBondContact O-OG1 3.06Å; F121-A160 HydrophobicContact CB-CB 3.65Å
122S82.7Confident84Confident15 Ų1581.6 Ų81.611%0.10542%0.416CS..Hα-helixtrans-65.9-26.3-179.571.70000113.4L118 E119 T124 A156L118-S122 WeakPolarHBondContact O-CB 3.19Å; L118-S122 PolarHBondContact O-N 3.12Å; L118-S122 PolarHBondContact O-OG 3.26Å; E119-S122 PolarHBondContact O-N 3.11Å; E119-S122 PolarHBondContact O-OG 3.25Å; S122-T124 PolarHBondContact O-N 3.34Å; S122-A156 WeakPolarHBondContact O-CB 3.4Å
123E80Confident84.4Confident141 Ų14183.9 Ų83.966%0.65942%0.422SS*.THydrogen-bonded Turntrans-72-11.5177.1-70.7178.4-179.700114.5E119 F121 K125E119-E123 PolarHBondContact O-N 3.43Å; F121-E123 VanDerWaalsContact C-N 3.25Å; F121-E123 PolarHBondContact O-N 3.2Å; E123-K125 PolarHBondContact O-N 3.44Å
124T72.7Confident84.6Confident86 Ų8677.7 Ų77.753%0.52840%0.402SS..SBendtrans-68.7103178.952.40000111.1F121 S122 C126F121-T124 PolarHBondContact O-N 3.15Å; F121-T124 PolarHBondContact O-OG1 3.06Å; S122-T124 PolarHBondContact O-N 3.34Å; T124-C126 PolarHBondContact O-N 2.91Å
125K57.5Low84.9Confident207 Ų20780.1 Ų80.190%0.942%0.419SS*.SBendtrans-61.7121.9-179.7-69.2-177.3178.5178.70110.1E123E123-K125 PolarHBondContact O-N 3.44Å
126C60.4Low85.1Confident139 Ų13982.8 Ų82.894%0.93943%0.433SS*.  trans9865.5178.2-156.20000115.2T124T124-C126 PolarHBondContact O-N 2.91Å
127A71.6Confident85.5Confident35 Ų3576.8 Ų76.829%0.28941%0.406SS..  trans-113.9118.5175.400000110.1A156 L159A127-A156 HydrophobicContact CB-CB 3.81Å; A127-L159 HydrophobicContact CB-CD1 3.39Å
128Y84Confident85.8Confident167 Ų16776.4 Ų76.466%0.65540%0.4SS*.  trans-112.3129.8174.1174.2-106.4000110.1S130Y128-S130 VanDerWaalsContact CE1-CA 3.5Å; Y128-S130 PolarHBondContact O-N 3.41Å
129L87.9Confident86.1Confident10 Ų1080.2 Ų80.25%0.05242%0.423CS..  trans-92.386.8177.3-167.270.2000110K133 V134 D155 K158 L159 I162L129-K133 HydrophobicContact CD1-CB 3.65Å; L129-K133 HydrophobicContact CG-CB 4.42Å; L129-V134 HydrophobicContact CD2-CG2 3.68Å; L129-V134 HydrophobicContact CG-CG2 3.69Å; L129-D155 HydrophobicContact CB-CB 3.93Å; L129-K158 HydrophobicContact CD1-CB 4.34Å; L129-K158 HydrophobicContact CD2-CB 3.94Å; L129-K158 HydrophobicContact CD2-CD 3.66Å; L129-K158 HydrophobicContact CD2-CG 4.41Å; L129-L159 HydrophobicContact CD1-CD2 3.69Å; L129-L159 HydrophobicContact CD1-CG 4.01Å; L129-I162 HydrophobicContact CD1-CD1 4.35Å
130S92.2Very high86.4Confident36 Ų3679.5 Ų79.525%0.25242%0.42SS..  trans-59.6155.3173.960.40000112.3Y128 L132 K133 V134Y128-S130 VanDerWaalsContact CE1-CA 3.5Å; Y128-S130 PolarHBondContact O-N 3.41Å; S130-L132 PolarHBondContact O-N 2.77Å; S130-L132 VanDerWaalsContact O-N 3.1Å; S130-K133 WeakPolarHBondContact O-CA 3.36Å; S130-K133 WeakPolarHBondContact O-CB 3.4Å; S130-K133 PolarHBondContact O-N 3.2Å; S130-K133 WeakPolarHBondContact OG-CG 3.36Å; S130-V134 PolarHBondContact O-N 3.13Å
131D93.3Very high86.8Confident136 Ų13677.3 Ų77.373%0.72741%0.405SS*.Hα-helixtrans-50-40.1178.5-63.7-27.8000114K133 V134 S135D131-K133 VanDerWaalsContact C-N 3.33Å; D131-K133 PolarHBondContact O-N 3.09Å; D131-V134 WeakPolarHBondContact O-CB 3.2Å; D131-V134 PolarHBondContact O-N 2.85Å; D131-S135 PolarHBondContact O-N 3.37Å
132L94.3Very high87.3Confident124 Ų12480 Ų8065%0.64942%0.419SS*.Hα-helixtrans-59.5-43.7175.4177.761.7000111.9S130 S135 I136S130-L132 PolarHBondContact O-N 2.77Å; S130-L132 VanDerWaalsContact O-N 3.1Å; L132-S135 WeakPolarHBondContact O-CB 3.38Å; L132-S135 PolarHBondContact O-N 2.95Å; L132-I136 HydrophobicContact CD1-CD1 4.24Å; L132-I136 HydrophobicContact CG-CD1 3.98Å; L132-I136 VanDerWaalsContact O-CG1 3.28Å; L132-I136 WeakPolarHBondContact O-CG1 3.45Å; L132-I136 PolarHBondContact O-N 3.14Å
133K94.4Very high87.8Confident82 Ų8284.7 Ų84.736%0.35744%0.437SS..Hα-helixtrans-71.4-33.6179.4-65.4-175-169.7174.10111.9L129 S130 D131 I136 L137 L159 I162L129-K133 HydrophobicContact CD1-CB 3.65Å; L129-K133 HydrophobicContact CG-CB 4.42Å; S130-K133 WeakPolarHBondContact O-CA 3.36Å; S130-K133 WeakPolarHBondContact O-CB 3.4Å; S130-K133 PolarHBondContact O-N 3.2Å; S130-K133 WeakPolarHBondContact OG-CG 3.36Å; D131-K133 VanDerWaalsContact C-N 3.33Å; D131-K133 PolarHBondContact O-N 3.09Å; K133-I136 PolarHBondContact O-N 2.97Å; K133-L137 VanDerWaalsContact O-CB 3.32Å; K133-L137 WeakPolarHBondContact O-CB 3.44Å; K133-L137 PolarHBondContact O-N 3.33Å; K133-L159 HydrophobicContact CB-CD2 4.46Å; K133-L159 HydrophobicContact CD-CD2 3.24Å; K133-L159 HydrophobicContact CG-CD2 4.42Å; K133-I162 HydrophobicContact CB-CD1 3.94Å
134V95.1Very high88.5Confident30 Ų3079.7 Ų79.718%0.18241%0.413CS..Hα-helixtrans-59.7-47.7169.4175.70000110.3L129 S130 D131 L137 K138L129-V134 HydrophobicContact CD2-CG2 3.68Å; L129-V134 HydrophobicContact CG-CG2 3.69Å; S130-V134 PolarHBondContact O-N 3.13Å; D131-V134 WeakPolarHBondContact O-CB 3.2Å; D131-V134 PolarHBondContact O-N 2.85Å; V134-L137 PolarHBondContact O-N 3.34Å; V134-K138 HydrophobicContact CG1-CD 4.3Å; V134-K138 WeakPolarHBondContact O-CG 3.49Å; V134-K138 PolarHBondContact O-N 3.25Å
135S96.1Very high89.5Confident70 Ų7079.7 Ų79.749%0.4942%0.416SS..Hα-helixtrans-60.1-46.9177.7-170.50000111.7D131 L132 L137 K138 T139D131-S135 PolarHBondContact O-N 3.37Å; L132-S135 WeakPolarHBondContact O-CB 3.38Å; L132-S135 PolarHBondContact O-N 2.95Å; S135-L137 PolarHBondContact O-N 3.49Å; S135-K138 PolarHBondContact O-N 2.86Å; S135-T139 PolarHBondContact O-N 2.94Å; S135-T139 VanDerWaalsContact O-N 3.09Å; S135-T139 PolarHBondContact O-OG1 2.82Å
136I95.7Very high91.3Very high68 Ų6870.1 Ų70.135%0.34938%0.375SS..Hα-helixtrans-59-48.1177-69.9165.1000110.5L132 K133 K138 T139 L140 I162L132-I136 HydrophobicContact CD1-CD1 4.24Å; L132-I136 HydrophobicContact CG-CD1 3.98Å; L132-I136 VanDerWaalsContact O-CG1 3.28Å; L132-I136 WeakPolarHBondContact O-CG1 3.45Å; L132-I136 PolarHBondContact O-N 3.14Å; K133-I136 PolarHBondContact O-N 2.97Å; I136-K138 PolarHBondContact O-N 3.13Å; I136-T139 PolarHBondContact O-N 2.85Å; I136-L140 HydrophobicContact CG2-CD1 3.72Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 WeakPolarHBondContact O-CG 3.45Å; I136-L140 PolarHBondContact O-N 2.96Å; I136-I162 HydrophobicContact CG2-CG2 4.16Å
137L95.9Very high92.9Very high0 Ų066.3 Ų66.30%035%0.345CS..Hα-helixtrans-63.6-41.7-179.1-17854.4000111.8K133 V134 S135 T139 L140 C141 Y148 K158 L161 I162 F165K133-L137 VanDerWaalsContact O-CB 3.32Å; K133-L137 WeakPolarHBondContact O-CB 3.44Å; K133-L137 PolarHBondContact O-N 3.33Å; V134-L137 PolarHBondContact O-N 3.34Å; S135-L137 PolarHBondContact O-N 3.49Å; L137-T139 PolarHBondContact O-N 3.43Å; L137-L140 PolarHBondContact O-N 3.21Å; L137-C141 VanDerWaalsContact O-CB 3.26Å; L137-C141 WeakPolarHBondContact O-CB 3.38Å; L137-C141 PolarHBondContact O-N 3.14Å; L137-C141 PolarHBondContact O-SG 3.12Å; L137-Y148 HydrophobicContact CB-CE2 4.36Å; L137-Y148 HydrophobicContact CD2-CD2 4.24Å; L137-Y148 HydrophobicContact CD2-CE2 3.78Å; L137-Y148 HydrophobicContact CG-CD2 3.99Å; L137-Y148 HydrophobicContact CG-CE2 3.92Å; L137-K158 HydrophobicContact CD2-CB 3.55Å; L137-K158 HydrophobicContact CD2-CD 4.45Å; L137-K158 HydrophobicContact CD2-CG 3.86Å; L137-L161 HydrophobicContact CD1-CB 4.07Å; L137-I162 HydrophobicContact CB-CD1 4.07Å; L137-I162 HydrophobicContact CB-CG1 3.86Å; L137-I162 HydrophobicContact CD1-CG1 3.95Å; L137-I162 HydrophobicContact CD2-CG1 4.5Å; L137-I162 HydrophobicContact CG-CG1 4.31Å; L137-F165 HydrophobicContact CD1-CD2 4.07Å; L137-F165 HydrophobicContact CD1-CE2 3.95Å
138K96.7Very high94.1Very high87 Ų8766.7 Ų66.738%0.37834%0.34SS..Hα-helixtrans-57.9-46.8174.4-78.2-179.9176.2-175.10112V134 S135 I136 L140 C141 E142 Y148V134-K138 HydrophobicContact CG1-CD 4.3Å; V134-K138 WeakPolarHBondContact O-CG 3.49Å; V134-K138 PolarHBondContact O-N 3.25Å; S135-K138 PolarHBondContact O-N 2.86Å; I136-K138 PolarHBondContact O-N 3.13Å; K138-L140 PolarHBondContact O-N 3.08Å; K138-C141 WeakPolarHBondContact O-CB 3.4Å; K138-C141 PolarHBondContact O-N 3.12Å; K138-E142 WeakPolarHBondContact O-CG 3.28Å; K138-E142 PolarHBondContact O-N 2.85Å; K138-Y148 HydrophobicContact CD-CD1 4.26Å; K138-Y148 HydrophobicContact CD-CE1 4.42Å; K138-Y148 VanDerWaalsContact CE-CD1 3.49Å; K138-Y148 VanDerWaalsContact CE-CE1 3.41Å; K138-Y148 HydrophobicContact CG-CD1 3.77Å; K138-Y148 HydrophobicContact CG-CD2 3.82Å; K138-Y148 HydrophobicContact CG-CE1 4.12Å; K138-Y148 HydrophobicContact CG-CE2 4.15Å; K138-Y148 HydrophobicContact CG-CG 3.62Å
139T96.3Very high94.5Very high85 Ų8564.3 Ų64.352%0.52134%0.338SS..Hα-helixtrans-61.7-42.1176.8-57.10000112.1S135 I136 L137 K143S135-T139 PolarHBondContact O-N 2.94Å; S135-T139 VanDerWaalsContact O-N 3.09Å; S135-T139 PolarHBondContact O-OG1 2.82Å; I136-T139 PolarHBondContact O-N 2.85Å; L137-T139 PolarHBondContact O-N 3.43Å; T139-K143 WeakPolarHBondContact O-CB 3.46Å; T139-K143 PolarHBondContact O-N 3.11Å
140L96Very high94.7Very high13 Ų1367.5 Ų67.57%0.06836%0.355CS..Hα-helixtrans-66.6-43176.5-68.2169000111.4I136 L137 K138 E142 K143 Y144 I162 F165 I166I136-L140 HydrophobicContact CG2-CD1 3.72Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 WeakPolarHBondContact O-CG 3.45Å; I136-L140 PolarHBondContact O-N 2.96Å; L137-L140 PolarHBondContact O-N 3.21Å; K138-L140 PolarHBondContact O-N 3.08Å; L140-E142 PolarHBondContact O-N 2.64Å; L140-K143 WeakPolarHBondContact O-CB 3.3Å; L140-K143 PolarHBondContact O-N 2.85Å; L140-Y144 HydrophobicContact CD2-CE2 4.4Å; L140-Y144 VanDerWaalsContact O-CD2 3.22Å; L140-Y144 WeakPolarHBondContact O-CD2 3.28Å; L140-Y144 PolarHBondContact O-N 3.42Å; L140-I162 HydrophobicContact CD1-CG2 4.14Å; L140-F165 HydrophobicContact CB-CB 4.04Å; L140-F165 HydrophobicContact CB-CD2 3.81Å; L140-F165 HydrophobicContact CB-CG 4.1Å; L140-F165 HydrophobicContact CD1-CB 3.99Å; L140-F165 HydrophobicContact CD1-CD2 4.5Å; L140-F165 HydrophobicContact CD2-CB 4.14Å; L140-F165 HydrophobicContact CG-CB 4.28Å; L140-I166 HydrophobicContact CD1-CG1 4.39Å
141C96.3Very high94.7Very high0 Ų066.1 Ų66.10%035%0.345CS..Hα-helixtrans-57.1-48.6174.7-81.30000111.5L137 K138 K143 Y144 S145 V146L137-C141 VanDerWaalsContact O-CB 3.26Å; L137-C141 WeakPolarHBondContact O-CB 3.38Å; L137-C141 PolarHBondContact O-N 3.14Å; L137-C141 PolarHBondContact O-SG 3.12Å; K138-C141 WeakPolarHBondContact O-CB 3.4Å; K138-C141 PolarHBondContact O-N 3.12Å; C141-K143 PolarHBondContact O-N 3.48Å; C141-Y144 CarbonylContact O-C 3.49Å; C141-Y144 PolarHBondContact O-N 3.23Å; C141-S145 PolarHBondContact O-N 2.97Å; C141-V146 CarbonylContact C-O 3.57Å; C141-V146 HydrophobicContact CB-CB 4.3Å; C141-V146 VanDerWaalsContact CB-O 3.29Å; C141-V146 WeakPolarHBondContact CB-O 3.47Å; C141-V146 PolarHBondContact O-N 2.94Å
142E94.7Very high94.6Very high150 Ų15065.7 Ų65.770%0.70134%0.339SS*.Hα-helixtrans-58.5-47.1174.9-73.8171.8-175.600111.9K138 L140 Y144 S145K138-E142 WeakPolarHBondContact O-CG 3.28Å; K138-E142 PolarHBondContact O-N 2.85Å; L140-E142 PolarHBondContact O-N 2.64Å; E142-Y144 VanDerWaalsContact C-N 3.3Å; E142-Y144 PolarHBondContact O-N 3.38Å; E142-S145 PolarHBondContact O-N 3.31Å; E142-S145 VanDerWaalsContact O-N 3.17Å
143K93.6Very high94.4Very high112 Ų11259.9 Ų59.949%0.48731%0.309SS..Hα-helixtrans-57-42.5177.6176.9176.8174.9176.60112.4T139 L140 C141 E169T139-K143 WeakPolarHBondContact O-CB 3.46Å; T139-K143 PolarHBondContact O-N 3.11Å; L140-K143 WeakPolarHBondContact O-CB 3.3Å; L140-K143 PolarHBondContact O-N 2.85Å; C141-K143 PolarHBondContact O-N 3.48Å; K143-E169 IonicContact NZ-OE1 3.64Å; K143-E169 PolarHBondContact NZ-OE1 2.83Å
144Y93.4Very high94.2Very high37 Ų3758.6 Ų58.615%0.14531%0.308CS..THydrogen-bonded Turntrans-94.513.1-177.8-69.2-71.1000113.8H83 L140 C141 E142 V146 F165 L168 E169H83-Y144 AromaticContact CE1-CD1 3.79Å; L140-Y144 HydrophobicContact CD2-CE2 4.4Å; L140-Y144 VanDerWaalsContact O-CD2 3.22Å; L140-Y144 WeakPolarHBondContact O-CD2 3.28Å; L140-Y144 PolarHBondContact O-N 3.42Å; C141-Y144 CarbonylContact O-C 3.49Å; C141-Y144 PolarHBondContact O-N 3.23Å; E142-Y144 VanDerWaalsContact C-N 3.3Å; E142-Y144 PolarHBondContact O-N 3.38Å; Y144-V146 VanDerWaalsContact C-N 3.28Å; Y144-V146 PolarHBondContact O-N 3.14Å; Y144-F165 HydrophobicContact CD2-CB 3.99Å; Y144-F165 AromaticContact CD2-CD1 3.22Å; Y144-F165 HydrophobicContact CD2-CD1 3.22Å; Y144-F165 AromaticContact CD2-CE1 3.82Å; Y144-F165 HydrophobicContact CD2-CE1 3.82Å; Y144-F165 AromaticContact CD2-CG 3.74Å; Y144-F165 HydrophobicContact CD2-CG 3.74Å; Y144-F165 HydrophobicContact CE2-CB 3.8Å; Y144-F165 AromaticContact CE2-CD1 3.79Å; Y144-F165 HydrophobicContact CE2-CD1 3.79Å; Y144-F165 HydrophobicContact CE2-CG 4.09Å; Y144-F165 AromaticContact CG-CD1 3.67Å; Y144-F165 HydrophobicContact CG-CD1 3.67Å; Y144-F165 AromaticContact CG-CE1 3.88Å; Y144-F165 HydrophobicContact CG-CE1 3.88Å; Y144-F165 PolarHBondContact OH-O 2.86Å; Y144-L168 HydrophobicContact CD1-CD1 4.13Å; Y144-L168 HydrophobicContact CE1-CB 4.19Å; Y144-L168 HydrophobicContact CE1-CD1 3.81Å; Y144-E169 VanDerWaalsContact OH-CG 3.26Å; Y144-E169 WeakPolarHBondContact OH-CG 3.22Å
145S94.1Very high94.1Very high85 Ų8560.1 Ų60.159%0.59432%0.315SS*.THydrogen-bonded Turntrans57.135.6178.6-54.20000114.3C141 E142C141-S145 PolarHBondContact O-N 2.97Å; E142-S145 PolarHBondContact O-N 3.31Å; E142-S145 VanDerWaalsContact O-N 3.17Å
146V95.6Very high93.9Very high7 Ų757.6 Ų57.64%0.04230%0.298CS..  trans-102.8129.1174.6177.60000109.2T79 M80 H83 C141 Y144 Y148 L151 F165T79-V146 WeakPolarHBondContact OG1-CA 3.2Å; M80-V146 HydrophobicContact CB-CG1 4.44Å; M80-V146 HydrophobicContact SD-CG1 3.97Å; M80-V146 HydrophobicContact SD-CG2 3.9Å; H83-V146 HydrophobicContact CB-CG2 3.75Å; C141-V146 CarbonylContact C-O 3.57Å; C141-V146 HydrophobicContact CB-CB 4.3Å; C141-V146 VanDerWaalsContact CB-O 3.29Å; C141-V146 WeakPolarHBondContact CB-O 3.47Å; C141-V146 PolarHBondContact O-N 2.94Å; Y144-V146 VanDerWaalsContact C-N 3.28Å; Y144-V146 PolarHBondContact O-N 3.14Å; V146-Y148 PolarHBondContact O-N 2.79Å; V146-L151 HydrophobicContact CG1-CD2 4.36Å; V146-F165 HydrophobicContact CG2-CE1 4.49Å; V146-F165 HydrophobicContact CG2-CZ 4.12Å
147N94.8Very high93.7Very high59 Ų5954.3 Ų54.332%0.31628%0.281SS..  trans-76108.7173.7-175.2-1.1000109.9N77 T79 N149 D150N77-N147 PolarHBondContact ND2-O 3.13Å; T79-N147 HydrophobicContact CG2-CB 4.09Å; T79-N147 PolarHBondContact OG1-N 3.33Å; N147-N149 VanDerWaalsContact C-N 3.3Å; N147-N149 PolarHBondContact O-N 2.94Å; N147-N149 PolarHBondContact OD1-N 3.09Å; N147-D150 HydrophobicContact CB-CB 4.49Å; N147-D150 PolarHBondContact ND2-OD1 3.1Å; N147-D150 PolarHBondContact ND2-OD2 3.27Å; N147-D150 PolarHBondContact O-N 2.95Å
148Y94.9Very high93.6Very high42 Ų4255.8 Ų55.817%0.16529%0.288CS..G310 helixtrans-59.6-38.2177.3176-90.5000113L137 K138 V146 D150 L151L137-Y148 HydrophobicContact CB-CE2 4.36Å; L137-Y148 HydrophobicContact CD2-CD2 4.24Å; L137-Y148 HydrophobicContact CD2-CE2 3.78Å; L137-Y148 HydrophobicContact CG-CD2 3.99Å; L137-Y148 HydrophobicContact CG-CE2 3.92Å; K138-Y148 HydrophobicContact CD-CD1 4.26Å; K138-Y148 HydrophobicContact CD-CE1 4.42Å; K138-Y148 VanDerWaalsContact CE-CD1 3.49Å; K138-Y148 VanDerWaalsContact CE-CE1 3.41Å; K138-Y148 HydrophobicContact CG-CD1 3.77Å; K138-Y148 HydrophobicContact CG-CD2 3.82Å; K138-Y148 HydrophobicContact CG-CE1 4.12Å; K138-Y148 HydrophobicContact CG-CE2 4.15Å; K138-Y148 HydrophobicContact CG-CG 3.62Å; V146-Y148 PolarHBondContact O-N 2.79Å; Y148-D150 PolarHBondContact O-N 2.92Å; Y148-L151 HydrophobicContact CD2-CD1 4.23Å; Y148-L151 WeakPolarHBondContact O-CB 3.47Å; Y148-L151 PolarHBondContact O-N 3.12Å; Y148-L151 VanDerWaalsContact O-N 3.12Å
149N93.4Very high93.5Very high117 Ų11753 Ų5363%0.62628%0.277SS*.G310 helixtrans-68.7-22.2-172.5-62.2-39.4000112.8N147N147-N149 VanDerWaalsContact C-N 3.3Å; N147-N149 PolarHBondContact O-N 2.94Å; N147-N149 PolarHBondContact OD1-N 3.09Å
150D92.4Very high93.3Very high77 Ų7749.1 Ų49.141%0.41225%0.253SS..G310 helixtrans-91.3-0.3179.3-59.6-15.5000112.1N77 N147 Y148 Q152N77-D150 WeakPolarHBondContact ND2-CB 3.45Å; N147-D150 HydrophobicContact CB-CB 4.49Å; N147-D150 PolarHBondContact ND2-OD1 3.1Å; N147-D150 PolarHBondContact ND2-OD2 3.27Å; N147-D150 PolarHBondContact O-N 2.95Å; Y148-D150 PolarHBondContact O-N 2.92Å; D150-Q152 PolarHBondContact O-N 3.03Å; D150-Q152 VanDerWaalsContact O-N 3.16Å
151L92.7Very high93.2Very high8 Ų848.5 Ų48.54%0.04225%0.25CC..  trans-77.299177-67.4174.9000111.1L74 N77 V146 Y148 L161L74-L151 HydrophobicContact CD1-CD2 3.77Å; N77-L151 HydrophobicContact CB-CD2 4.2Å; N77-L151 WeakPolarHBondContact ND2-CD2 3.47Å; V146-L151 HydrophobicContact CG1-CD2 4.36Å; Y148-L151 HydrophobicContact CD2-CD1 4.23Å; Y148-L151 WeakPolarHBondContact O-CB 3.47Å; Y148-L151 PolarHBondContact O-N 3.12Å; Y148-L151 VanDerWaalsContact O-N 3.12Å; L151-L161 HydrophobicContact CD1-CD1 4.05Å; L151-L161 HydrophobicContact CD2-CD1 4.34Å
152Q90.1Very high93.1Very high127 Ų12749.2 Ų49.259%0.59325%0.253SS*.  trans-82.9-10180-61.3-58.1-40.900114.6E73 D150E73-Q152 HydrophobicContact CB-CB 4.47Å; D150-Q152 PolarHBondContact O-N 3.03Å; D150-Q152 VanDerWaalsContact O-N 3.16Å
153C89.3Confident93Very high2 Ų245.9 Ų45.91%0.01424%0.241CC..SBendtrans-66.4163.3-178.164.40000114.2E73 L74 M157 K158E73-C153 HydrophobicContact CB-CB 4.38Å; L74-C153 HydrophobicContact CB-CB 4.42Å; C153-M157 HydrophobicContact CB-CB 3.76Å; C153-M157 HydrophobicContact CB-CG 3.65Å; C153-M157 VanDerWaalsContact SG-CG 3.55Å; C153-K158 VanDerWaalsContact O-CE 3.25Å; C153-K158 WeakPolarHBondContact O-CE 3.32Å; C153-K158 PolarHBondContact O-NZ 3.24Å; C153-K158 VanDerWaalsContact O-NZ 3.15Å
154T91.9Very high93.1Very high55 Ų5541.1 Ų41.134%0.33722%0.219SC..  trans-63.5164.3-178.4710000113.7D70 A156 M157 K158D70-T154 VanDerWaalsContact CG-CG2 3.48Å; D70-T154 VanDerWaalsContact OD1-CG2 3.29Å; D70-T154 WeakPolarHBondContact OD1-CG2 3.35Å; D70-T154 WeakPolarHBondContact OD2-CB 3.35Å; D70-T154 WeakPolarHBondContact OD2-CG2 3.26Å; D70-T154 PolarHBondContact OD2-OG1 3.3Å; T154-A156 PolarHBondContact O-N 3.08Å; T154-A156 PolarHBondContact OG1-N 2.9Å; T154-M157 PolarHBondContact O-N 3.22Å; T154-M157 VanDerWaalsContact O-N 3.17Å; T154-M157 PolarHBondContact OG1-N 2.92Å; T154-K158 WeakPolarHBondContact O-CG 3.45Å; T154-K158 PolarHBondContact O-N 3.27Å
155D91.9Very high93.1Very high62 Ų6239.3 Ų39.333%0.33221%0.213SC..Hα-helixtrans-59.3-32.9173.2-78.31.9000112.7L129 K158 L159L129-D155 HydrophobicContact CB-CB 3.93Å; D155-K158 PolarHBondContact O-N 3.29Å; D155-L159 VanDerWaalsContact O-CG 3.23Å; D155-L159 WeakPolarHBondContact O-CG 3.28Å; D155-L159 PolarHBondContact O-N 3.48Å
156A91.7Very high93Very high16 Ų1637.9 Ų37.913%0.13220%0.197CC..Hα-helixtrans-64.9-44.1175.500000111.3S122 A127 T154 L159 A160S122-A156 WeakPolarHBondContact O-CB 3.4Å; A127-A156 HydrophobicContact CB-CB 3.81Å; T154-A156 PolarHBondContact O-N 3.08Å; T154-A156 PolarHBondContact OG1-N 2.9Å; A156-L159 WeakPolarHBondContact O-CB 3.46Å; A156-L159 PolarHBondContact O-N 3.3Å; A156-A160 PolarHBondContact O-N 3Å
157M92.5Very high92.7Very high0 Ų040.2 Ų40.20%021%0.214CC..Hα-helixtrans-64.7-41.2174.3-174.95870.800111.9D70 L74 L118 C153 T154 L159 A160 L161D70-M157 HydrophobicContact CB-CB 4.43Å; D70-M157 HydrophobicContact CB-CE 3.75Å; L74-M157 HydrophobicContact CD2-CG 4.33Å; L74-M157 HydrophobicContact CD2-SD 3.97Å; L118-M157 HydrophobicContact CB-SD 4.06Å; L118-M157 HydrophobicContact CD2-SD 4.37Å; C153-M157 HydrophobicContact CB-CB 3.76Å; C153-M157 HydrophobicContact CB-CG 3.65Å; C153-M157 VanDerWaalsContact SG-CG 3.55Å; T154-M157 PolarHBondContact O-N 3.22Å; T154-M157 VanDerWaalsContact O-N 3.17Å; T154-M157 PolarHBondContact OG1-N 2.92Å; M157-L159 VanDerWaalsContact C-N 3.29Å; M157-L159 PolarHBondContact O-N 3.06Å; M157-A160 CarbonylContact O-C 3.54Å; M157-A160 WeakPolarHBondContact O-CA 3.46Å; M157-A160 WeakPolarHBondContact O-CB 3.46Å; M157-A160 PolarHBondContact O-N 3.41Å; M157-A160 VanDerWaalsContact O-N 3.08Å; M157-A160 HydrophobicContact SD-CB 4.39Å; M157-L161 WeakPolarHBondContact O-CG 3.39Å; M157-L161 PolarHBondContact O-N 3.48Å
158K94Very high92.3Very high31 Ų3138.8 Ų38.814%0.13521%0.206CC..Hα-helixtrans-59.4-38.9174.5-73.9172.3-173.8148.40112.2L129 L137 C153 T154 D155 L161 I162L129-K158 HydrophobicContact CD1-CB 4.34Å; L129-K158 HydrophobicContact CD2-CB 3.94Å; L129-K158 HydrophobicContact CD2-CD 3.66Å; L129-K158 HydrophobicContact CD2-CG 4.41Å; L137-K158 HydrophobicContact CD2-CB 3.55Å; L137-K158 HydrophobicContact CD2-CD 4.45Å; L137-K158 HydrophobicContact CD2-CG 3.86Å; C153-K158 VanDerWaalsContact O-CE 3.25Å; C153-K158 WeakPolarHBondContact O-CE 3.32Å; C153-K158 PolarHBondContact O-NZ 3.24Å; C153-K158 VanDerWaalsContact O-NZ 3.15Å; T154-K158 WeakPolarHBondContact O-CG 3.45Å; T154-K158 PolarHBondContact O-N 3.27Å; D155-K158 PolarHBondContact O-N 3.29Å; K158-L161 WeakPolarHBondContact O-CB 3.26Å; K158-L161 PolarHBondContact O-N 3.42Å; K158-I162 PolarHBondContact O-N 2.89Å
159L93.1Very high91.4Very high28 Ų2840 Ų4015%0.14721%0.214CC..Hα-helixtrans-66.7-40.4173-69.7168.7000112.3A127 L129 K133 D155 A156 M157 L161 I162 N163A127-L159 HydrophobicContact CB-CD1 3.39Å; L129-L159 HydrophobicContact CD1-CD2 3.69Å; L129-L159 HydrophobicContact CD1-CG 4.01Å; K133-L159 HydrophobicContact CB-CD2 4.46Å; K133-L159 HydrophobicContact CD-CD2 3.24Å; K133-L159 HydrophobicContact CG-CD2 4.42Å; D155-L159 VanDerWaalsContact O-CG 3.23Å; D155-L159 WeakPolarHBondContact O-CG 3.28Å; D155-L159 PolarHBondContact O-N 3.48Å; A156-L159 WeakPolarHBondContact O-CB 3.46Å; A156-L159 PolarHBondContact O-N 3.3Å; M157-L159 VanDerWaalsContact C-N 3.29Å; M157-L159 PolarHBondContact O-N 3.06Å; L159-L161 VanDerWaalsContact C-N 3.28Å; L159-L161 PolarHBondContact O-N 3.17Å; L159-I162 HydrophobicContact CD2-CD1 4.35Å; L159-I162 PolarHBondContact O-N 2.62Å; L159-N163 PolarHBondContact O-N 3Å
160A93Very high90Very high3 Ų340.5 Ų40.53%0.02521%0.21CC..Hα-helixtrans-60.4-39173.600000111.5L118 F121 A156 M157 I162 N163 Y164L118-A160 HydrophobicContact CD2-CB 3.81Å; F121-A160 HydrophobicContact CB-CB 3.65Å; A156-A160 PolarHBondContact O-N 3Å; M157-A160 CarbonylContact O-C 3.54Å; M157-A160 WeakPolarHBondContact O-CA 3.46Å; M157-A160 WeakPolarHBondContact O-CB 3.46Å; M157-A160 PolarHBondContact O-N 3.41Å; M157-A160 VanDerWaalsContact O-N 3.08Å; M157-A160 HydrophobicContact SD-CB 4.39Å; A160-I162 PolarHBondContact O-N 3.38Å; A160-N163 WeakPolarHBondContact O-CB 3.37Å; A160-N163 PolarHBondContact O-N 3.17Å; A160-Y164 WeakPolarHBondContact O-CB 3.14Å; A160-Y164 PolarHBondContact O-N 3.28Å
161L94.6Very high88.3Confident0 Ų040.5 Ų40.50%022%0.216CC..Hα-helixtrans-62.8-38.2175.3-72177000113L74 M80 L118 L137 L151 M157 K158 L159 N163 Y164 F165L74-L161 HydrophobicContact CD1-CD1 3.78Å; L74-L161 HydrophobicContact CD1-CD2 4.12Å; L74-L161 HydrophobicContact CD1-CG 4.4Å; L74-L161 HydrophobicContact CD2-CD2 4.14Å; M80-L161 HydrophobicContact CE-CD2 3.65Å; M80-L161 HydrophobicContact SD-CD2 4.4Å; L118-L161 HydrophobicContact CD2-CD2 4.19Å; L137-L161 HydrophobicContact CD1-CB 4.07Å; L151-L161 HydrophobicContact CD1-CD1 4.05Å; L151-L161 HydrophobicContact CD2-CD1 4.34Å; M157-L161 WeakPolarHBondContact O-CG 3.39Å; M157-L161 PolarHBondContact O-N 3.48Å; K158-L161 WeakPolarHBondContact O-CB 3.26Å; K158-L161 PolarHBondContact O-N 3.42Å; L159-L161 VanDerWaalsContact C-N 3.28Å; L159-L161 PolarHBondContact O-N 3.17Å; L161-N163 VanDerWaalsContact C-N 3.34Å; L161-N163 PolarHBondContact O-N 3.49Å; L161-Y164 HydrophobicContact CD2-CD1 4.37Å; L161-Y164 WeakPolarHBondContact O-CB 3.48Å; L161-Y164 PolarHBondContact O-N 3.48Å; L161-F165 HydrophobicContact CB-CD2 4.4Å; L161-F165 HydrophobicContact CB-CE2 4.15Å; L161-F165 WeakPolarHBondContact O-CD2 3.48Å; L161-F165 WeakPolarHBondContact O-CG 3.5Å; L161-F165 PolarHBondContact O-N 3.44Å
162I94.2Very high86.1Confident15 Ų1544.1 Ų44.18%0.07723%0.233CC..Hα-helixtrans-59-48.7174.3-65.4172.8000109.9L129 K133 I136 L137 L140 K158 L159 A160 Y164 F165 I166L129-I162 HydrophobicContact CD1-CD1 4.35Å; K133-I162 HydrophobicContact CB-CD1 3.94Å; I136-I162 HydrophobicContact CG2-CG2 4.16Å; L137-I162 HydrophobicContact CB-CD1 4.07Å; L137-I162 HydrophobicContact CB-CG1 3.86Å; L137-I162 HydrophobicContact CD1-CG1 3.95Å; L137-I162 HydrophobicContact CD2-CG1 4.5Å; L137-I162 HydrophobicContact CG-CG1 4.31Å; L140-I162 HydrophobicContact CD1-CG2 4.14Å; K158-I162 PolarHBondContact O-N 2.89Å; L159-I162 HydrophobicContact CD2-CD1 4.35Å; L159-I162 PolarHBondContact O-N 2.62Å; A160-I162 PolarHBondContact O-N 3.38Å; I162-Y164 VanDerWaalsContact C-N 3.3Å; I162-Y164 PolarHBondContact O-N 2.8Å; I162-F165 PolarHBondContact O-N 3.09Å; I162-I166 HydrophobicContact CG2-CD1 3.66Å; I162-I166 HydrophobicContact CG2-CG1 4.42Å; I162-I166 WeakPolarHBondContact O-CB 3.38Å; I162-I166 VanDerWaalsContact O-CG1 3.26Å; I162-I166 WeakPolarHBondContact O-CG1 3.45Å; I162-I166 PolarHBondContact O-N 3.2Å
163N92.2Very high83.3Confident81 Ų8141.9 Ų41.943%0.43324%0.236SC..Hα-helixtrans-61-41.6177.9-72.9-28.1000111.7L159 A160 L161 S167L159-N163 PolarHBondContact O-N 3Å; A160-N163 WeakPolarHBondContact O-CB 3.37Å; A160-N163 PolarHBondContact O-N 3.17Å; L161-N163 VanDerWaalsContact C-N 3.34Å; L161-N163 PolarHBondContact O-N 3.49Å; N163-S167 WeakPolarHBondContact O-CB 3.41Å; N163-S167 PolarHBondContact O-N 3.23Å
164Y94.5Very high80.4Confident11 Ų1145.3 Ų45.34%0.04326%0.257CS..Hα-helixtrans-59.6-53.7175.8165.6-111.7000111.9M80 H83 F84 Y88 T114 A160 L161 I162 I166 S167 L168M80-Y164 HydrophobicContact CE-CD1 4.44Å; M80-Y164 HydrophobicContact CE-CE1 4.05Å; H83-Y164 AromaticContact CD2-CE1 3.86Å; H83-Y164 PolarHBondContact CD2-OH 2.98Å; H83-Y164 AromaticContact NE2-CE1 3.25Å; H83-Y164 VanDerWaalsContact NE2-CE1 3.25Å; H83-Y164 WeakPolarHBondContact NE2-CE1 3.29Å; H83-Y164 AromaticContact NE2-CZ 3.4Å; H83-Y164 PolarHBondContact NE2-OH 3.38Å; F84-Y164 AromaticContact CE1-CE1 3.92Å; F84-Y164 HydrophobicContact CE1-CE1 3.92Å; F84-Y164 HydrophobicContact CE1-CE2 4.43Å; F84-Y164 AromaticContact CE1-CZ 3.76Å; Y88-Y164 VanDerWaalsContact OH-CE2 3.32Å; Y88-Y164 WeakPolarHBondContact OH-CE2 3.38Å; T114-Y164 HydrophobicContact CG2-CD2 3.67Å; T114-Y164 HydrophobicContact CG2-CE2 3.57Å; A160-Y164 WeakPolarHBondContact O-CB 3.14Å; A160-Y164 PolarHBondContact O-N 3.28Å; L161-Y164 HydrophobicContact CD2-CD1 4.37Å; L161-Y164 WeakPolarHBondContact O-CB 3.48Å; L161-Y164 PolarHBondContact O-N 3.48Å; I162-Y164 VanDerWaalsContact C-N 3.3Å; I162-Y164 PolarHBondContact O-N 2.8Å; Y164-I166 VanDerWaalsContact C-N 3.34Å; Y164-I166 PolarHBondContact O-N 3.41Å; Y164-S167 WeakPolarHBondContact O-CA 3.4Å; Y164-S167 WeakPolarHBondContact O-CB 3.42Å; Y164-S167 PolarHBondContact O-N 2.88Å; Y164-S167 PolarHBondContact O-OG 3.37Å; Y164-L168 HydrophobicContact CE1-CD1 3.97Å; Y164-L168 HydrophobicContact CE2-CD1 4.17Å; Y164-L168 HydrophobicContact CE2-CD2 3.9Å; Y164-L168 HydrophobicContact CE2-CG 4.02Å; Y164-L168 PolarHBondContact O-N 3.01Å
165F95Very high77.5Confident0 Ų046.2 Ų46.20%026%0.262CS..Hα-helixtrans-62-40.3-179.9-71.1-48.9000112.3M80 H83 L137 L140 Y144 V146 L161 I162 S167 L168 E169M80-F165 HydrophobicContact CE-CZ 4.5Å; M80-F165 HydrophobicContact SD-CZ 4.43Å; H83-F165 AromaticContact NE2-CE1 3.85Å; L137-F165 HydrophobicContact CD1-CD2 4.07Å; L137-F165 HydrophobicContact CD1-CE2 3.95Å; L140-F165 HydrophobicContact CB-CB 4.04Å; L140-F165 HydrophobicContact CB-CD2 3.81Å; L140-F165 HydrophobicContact CB-CG 4.1Å; L140-F165 HydrophobicContact CD1-CB 3.99Å; L140-F165 HydrophobicContact CD1-CD2 4.5Å; L140-F165 HydrophobicContact CD2-CB 4.14Å; L140-F165 HydrophobicContact CG-CB 4.28Å; Y144-F165 HydrophobicContact CD2-CB 3.99Å; Y144-F165 AromaticContact CD2-CD1 3.22Å; Y144-F165 HydrophobicContact CD2-CD1 3.22Å; Y144-F165 AromaticContact CD2-CE1 3.82Å; Y144-F165 HydrophobicContact CD2-CE1 3.82Å; Y144-F165 AromaticContact CD2-CG 3.74Å; Y144-F165 HydrophobicContact CD2-CG 3.74Å; Y144-F165 HydrophobicContact CE2-CB 3.8Å; Y144-F165 AromaticContact CE2-CD1 3.79Å; Y144-F165 HydrophobicContact CE2-CD1 3.79Å; Y144-F165 HydrophobicContact CE2-CG 4.09Å; Y144-F165 AromaticContact CG-CD1 3.67Å; Y144-F165 HydrophobicContact CG-CD1 3.67Å; Y144-F165 AromaticContact CG-CE1 3.88Å; Y144-F165 HydrophobicContact CG-CE1 3.88Å; Y144-F165 PolarHBondContact OH-O 2.86Å; V146-F165 HydrophobicContact CG2-CE1 4.49Å; V146-F165 HydrophobicContact CG2-CZ 4.12Å; L161-F165 HydrophobicContact CB-CD2 4.4Å; L161-F165 HydrophobicContact CB-CE2 4.15Å; L161-F165 WeakPolarHBondContact O-CD2 3.48Å; L161-F165 WeakPolarHBondContact O-CG 3.5Å; L161-F165 PolarHBondContact O-N 3.44Å; I162-F165 PolarHBondContact O-N 3.09Å; F165-S167 VanDerWaalsContact C-N 3.28Å; F165-S167 PolarHBondContact O-N 3.46Å; F165-L168 HydrophobicContact CD1-CD1 4.24Å; F165-L168 WeakPolarHBondContact O-CB 3.37Å; F165-L168 PolarHBondContact O-N 3.1Å; F165-E169 PolarHBondContact O-N 3.03Å
166I90.7Very high74.5Confident54 Ų5447.5 Ų47.528%0.27727%0.273SS..Hα-helixtrans-63.1-36.4173.3-67.1169.8000111L140 I162 Y164 L168 E169 K170L140-I166 HydrophobicContact CD1-CG1 4.39Å; I162-I166 HydrophobicContact CG2-CD1 3.66Å; I162-I166 HydrophobicContact CG2-CG1 4.42Å; I162-I166 WeakPolarHBondContact O-CB 3.38Å; I162-I166 VanDerWaalsContact O-CG1 3.26Å; I162-I166 WeakPolarHBondContact O-CG1 3.45Å; I162-I166 PolarHBondContact O-N 3.2Å; Y164-I166 VanDerWaalsContact C-N 3.34Å; Y164-I166 PolarHBondContact O-N 3.41Å; I166-L168 VanDerWaalsContact C-N 3.27Å; I166-L168 PolarHBondContact O-N 2.92Å; I166-E169 WeakPolarHBondContact O-CB 3.44Å; I166-E169 PolarHBondContact O-N 3.17Å; I166-K170 HydrophobicContact CG2-CD 4.38Å; I166-K170 PolarHBondContact O-N 3.37Å
167S89.2Confident71.5Confident56 Ų5651.6 Ų51.639%0.39230%0.3SS..Hα-helixtrans-65.7-31.4176.681.10000112.4N163 Y164 F165 K170 S171N163-S167 WeakPolarHBondContact O-CB 3.41Å; N163-S167 PolarHBondContact O-N 3.23Å; Y164-S167 WeakPolarHBondContact O-CA 3.4Å; Y164-S167 WeakPolarHBondContact O-CB 3.42Å; Y164-S167 PolarHBondContact O-N 2.88Å; Y164-S167 PolarHBondContact O-OG 3.37Å; F165-S167 VanDerWaalsContact C-N 3.28Å; F165-S167 PolarHBondContact O-N 3.46Å; S167-K170 PolarHBondContact O-N 3.28Å; S167-S171 WeakPolarHBondContact O-CB 3.37Å; S167-S171 PolarHBondContact O-N 3.32Å
168L86.6Confident68.4Low29 Ų2959.5 Ų59.515%0.15234%0.342CS..Hα-helixtrans-65.3-41.7172.3-62.5-179.2000111.1T87 Y144 Y164 F165 I166 K170 S171 E172T87-L168 HydrophobicContact CG2-CD2 4.18Å; Y144-L168 HydrophobicContact CD1-CD1 4.13Å; Y144-L168 HydrophobicContact CE1-CB 4.19Å; Y144-L168 HydrophobicContact CE1-CD1 3.81Å; Y164-L168 HydrophobicContact CE1-CD1 3.97Å; Y164-L168 HydrophobicContact CE2-CD1 4.17Å; Y164-L168 HydrophobicContact CE2-CD2 3.9Å; Y164-L168 HydrophobicContact CE2-CG 4.02Å; Y164-L168 PolarHBondContact O-N 3.01Å; F165-L168 HydrophobicContact CD1-CD1 4.24Å; F165-L168 WeakPolarHBondContact O-CB 3.37Å; F165-L168 PolarHBondContact O-N 3.1Å; I166-L168 VanDerWaalsContact C-N 3.27Å; I166-L168 PolarHBondContact O-N 2.92Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 2.88Å; L168-S171 PolarHBondContact O-N 3.46Å; L168-E172 PolarHBondContact O-N 2.78Å; L168-E172 VanDerWaalsContact O-N 3.12Å
169E75.7Confident65.2Low69 Ų6962.9 Ų62.932%0.32237%0.37SS..Hα-helixtrans-63.9-39.1174.1-60.4-172.8156.300112.2K143 Y144 F165 I166 E172 A173K143-E169 IonicContact NZ-OE1 3.64Å; K143-E169 PolarHBondContact NZ-OE1 2.83Å; Y144-E169 VanDerWaalsContact OH-CG 3.26Å; Y144-E169 WeakPolarHBondContact OH-CG 3.22Å; F165-E169 PolarHBondContact O-N 3.03Å; I166-E169 WeakPolarHBondContact O-CB 3.44Å; I166-E169 PolarHBondContact O-N 3.17Å; E169-E172 CarbonylContact O-C 3.6Å; E169-E172 WeakPolarHBondContact O-CA 3.13Å; E169-E172 WeakPolarHBondContact O-CB 3.41Å; E169-E172 PolarHBondContact O-N 3.26Å; E169-E172 VanDerWaalsContact O-N 3.14Å; E169-A173 PolarHBondContact O-N 3.33Å; E169-A173 VanDerWaalsContact O-N 3.12Å
170K64.9Low62Low127 Ų12773.5 Ų73.555%0.55241%0.408SS*.Hα-helixtrans-70.4-33.9177-72.1-179.2-178178.40112.1I166 S167 L168 E172 A173 T174I166-K170 HydrophobicContact CG2-CD 4.38Å; I166-K170 PolarHBondContact O-N 3.37Å; S167-K170 PolarHBondContact O-N 3.28Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 2.88Å; K170-E172 PolarHBondContact O-N 3.44Å; K170-A173 CarbonylContact O-C 3.47Å; K170-A173 PolarHBondContact O-N 3.42Å; K170-T174 WeakPolarHBondContact O-CA 3.37Å; K170-T174 PolarHBondContact O-N 3.47Å; K170-T174 PolarHBondContact O-OG1 3.28Å
171S56.3Low59.1Low76 Ų7680.3 Ų80.353%0.53144%0.443SS..Hα-helixtrans-65.8-26.3171.1-157.20000111.3S167 L168 A173 V175S167-S171 WeakPolarHBondContact O-CB 3.37Å; S167-S171 PolarHBondContact O-N 3.32Å; L168-S171 PolarHBondContact O-N 3.46Å; S171-A173 VanDerWaalsContact C-N 3.34Å; S171-V175 WeakPolarHBondContact O-CG2 3.43Å
172E46.7Very low55.8Low85 Ų8587.2 Ų87.240%0.39749%0.485SS..Hα-helixtrans-75.7-16.4167.5-66.2-168.2122.100114L168 E169 K170 R260L168-E172 PolarHBondContact O-N 2.78Å; L168-E172 VanDerWaalsContact O-N 3.12Å; E169-E172 CarbonylContact O-C 3.6Å; E169-E172 WeakPolarHBondContact O-CA 3.13Å; E169-E172 WeakPolarHBondContact O-CB 3.41Å; E169-E172 PolarHBondContact O-N 3.26Å; E169-E172 VanDerWaalsContact O-N 3.14Å; K170-E172 PolarHBondContact O-N 3.44Å; E172-R260 IonicContact OE1-CZ 2.72Å; E172-R260 IonicContact OE1-NH1 3.44Å; E172-R260 PolarHBondContact OE1-NH1 3.22Å; E172-R260 IonicContact OE1-NH2 3.79Å; E172-R260 PolarHBondContact OE1-NH2 3.49Å; E172-R260 VanDerWaalsContact OE1-NH2 3.11Å
173A31.7Very low52.8Low79 Ų7992.7 Ų92.765%0.65351%0.514SS*.Hα-helixtrans-118.3-9.7-174.300000115.8E169 K170 S171E169-A173 PolarHBondContact O-N 3.33Å; E169-A173 VanDerWaalsContact O-N 3.12Å; K170-A173 CarbonylContact O-C 3.47Å; K170-A173 PolarHBondContact O-N 3.42Å; S171-A173 VanDerWaalsContact C-N 3.34Å
174T29.1Very low49.7Very low75 Ų7593.8 Ų93.846%0.4653%0.529SS..  trans-158.391.8-172.122.60000109.5K170K170-T174 WeakPolarHBondContact O-CA 3.37Å; K170-T174 PolarHBondContact O-N 3.47Å; K170-T174 PolarHBondContact O-OG1 3.28Å
175V29.9Very low46.5Very low73 Ų7397.4 Ų97.444%0.44256%0.561SS.*  trans-107.542.9160.8169.90000108.7S171 S177 E253S171-V175 WeakPolarHBondContact O-CG2 3.43Å; V175-S177 PolarHBondContact O-N 2.95Å; V175-E253 WeakPolarHBondContact CA-OE2 3.48Å; V175-E253 WeakPolarHBondContact CB-OE2 3.31Å; V175-E253 WeakPolarHBondContact CG1-OE2 3.36Å; V175-E253 PolarHBondContact N-OE2 3.22Å
176T29.4Very low43.4Very low90 Ų90103.1 Ų103.155%0.55260%0.596SS**  trans-79.5102.9165.948.90000110.8
177S28.5Very low40.9Very low102 Ų102109.2 Ų109.271%0.71362%0.623SS**SBendtrans53.486.5142.463.40000118.1V175V175-S177 PolarHBondContact O-N 2.95Å
178D26.6Very low38.8Very low166 Ų166112.7 Ų112.789%0.88864%0.637SS**  -169.196.5126.8-111.1-20.8000112.2
179S28.2Very low37.2Very low102 Ų102114.9 Ų114.971%0.71365%0.651SS**  trans-179.673.9139.651.80000109L181S179-L181 PolarHBondContact O-N 3.3Å; S179-L181 VanDerWaalsContact O-N 3.1Å
180R25.6Very low36.5Very low250 Ų250112.6 Ų112.694%0.94364%0.641SS**  trans-73.485149.2-70.4-177.6-169.1175.53.1106.4
181L31.4Very low36.6Very low147 Ų147108.4 Ų108.477%0.7762%0.622SS**  trans-119.4106.5161-74.7177.3000107.8S179 D183S179-L181 PolarHBondContact O-N 3.3Å; S179-L181 VanDerWaalsContact O-N 3.1Å; L181-D183 PolarHBondContact O-N 3.48Å; L181-D183 VanDerWaalsContact O-N 3.14Å
182V26.7Very low37.1Very low144 Ų144105.4 Ų105.487%0.87360%0.601SS**  trans-54104.2162.8-178.90000106.8
183D29.9Very low38Very low130 Ų130106.1 Ų106.170%0.69560%0.604SS**  trans-117.2121.3165.6-109.8-6000108.3K109 L181K109-D183 IonicContact NZ-OD2 2.95Å; L181-D183 PolarHBondContact O-N 3.48Å; L181-D183 VanDerWaalsContact O-N 3.14Å
184S27.6Very low39.2Very low105 Ų105104.1 Ų104.173%0.73459%0.587SS**  trans-65.1157.3-173.555.60000115
185A27.2Very low40.9Very low87 Ų87102.9 Ų102.972%0.71958%0.575SS**SBendtrans82.7111.8146.100000118.6
186V30.5Very low42.6Very low120 Ų120103.6 Ų103.673%0.72757%0.57SS**  trans55.983.4155.9-165.50000114.9N188V186-N188 PolarHBondContact O-N 2.93Å
187E38.3Very low43.9Very low182 Ų182104.8 Ų104.885%0.8557%0.567SS**  trans-69.696.8164.6-80.4-17615900109.6V189E187-V189 PolarHBondContact O-N 3.24Å
188N44.2Very low44.9Very low129 Ų129103.4 Ų103.469%0.6956%0.556SS**PPolyproline II helixtrans-58.6125.8164.1-71.6-39.1000108.7V186 H190V186-N188 PolarHBondContact O-N 2.93Å; N188-H190 PolarHBondContact O-N 3.46Å; N188-H190 VanDerWaalsContact O-N 3.14Å
189V52.7Low46.3Very low74 Ų7499.6 Ų99.645%0.44853%0.533SS..PPolyproline II helixtrans-57.3119.1171.3178.60000107.7E187 E193 A194E187-V189 PolarHBondContact O-N 3.24Å; V189-E193 HydrophobicContact CG1-CB 4.05Å; V189-A194 HydrophobicContact CG1-CB 4.02Å
190H62Low47Very low22 Ų2297.6 Ų97.610%0.10252%0.523CS..PPolyproline II helixtrans-59.2140.6-174.6-171.4-98.5000111.2E59 C104 N188 V192 E193 A194E59-H190 IonicContact OE2-CD2 3.86Å; E59-H190 PolarHBondContact OE2-CD2 3.44Å; E59-H190 IonicContact OE2-NE2 3.08Å; E59-H190 PolarHBondContact OE2-NE2 3.03Å; C104-H190 PolarHBondContact N-NE2 3.34Å; N188-H190 PolarHBondContact O-N 3.46Å; N188-H190 VanDerWaalsContact O-N 3.14Å; H190-V192 PolarHBondContact ND1-N 2.73Å; H190-V192 PolarHBondContact O-N 3.01Å; H190-E193 HydrophobicContact CB-CG 4.46Å; H190-E193 WeakPolarHBondContact O-CA 3.42Å; H190-E193 WeakPolarHBondContact O-CB 3.47Å; H190-E193 PolarHBondContact O-N 3.27Å; H190-A194 PolarHBondContact O-N 2.92Å
191F66.2Low47.7Very low38 Ų3889.1 Ų89.117%0.16750%0.502CS..Hα-helixtrans-45.7-42.2-175.1-176.3-99.8000114.8L53 I56 P58 E59 A194 Y195L53-F191 HydrophobicContact CB-CD1 4.36Å; L53-F191 HydrophobicContact CB-CE1 4.27Å; L53-F191 HydrophobicContact CD2-CD1 4.5Å; L53-F191 HydrophobicContact CD2-CE1 3.8Å; L53-F191 VanDerWaalsContact O-CD1 3.28Å; L53-F191 WeakPolarHBondContact O-CD1 3.32Å; L53-F191 WeakPolarHBondContact O-CE1 3.26Å; I56-F191 HydrophobicContact CD1-CE1 4.28Å; I56-F191 HydrophobicContact CD1-CZ 4.44Å; I56-F191 HydrophobicContact CG1-CE1 3.98Å; I56-F191 HydrophobicContact CG1-CZ 4.43Å; P58-F191 HydrophobicContact CG-CD2 4.36Å; E59-F191 PolarHBondContact OE1-N 3.46Å; F191-A194 PolarHBondContact O-N 3.11Å; F191-Y195 WeakPolarHBondContact O-CB 3.44Å; F191-Y195 PolarHBondContact O-N 2.98Å
192V67.1Low48.1Very low13 Ų1388 Ų888%0.07950%0.497CS..Hα-helixtrans-66.6-43179.2-178.20000111.3D50 L53 R54 H190 Y195 R196D50-V192 HydrophobicContact CB-CG1 4.12Å; D50-V192 WeakPolarHBondContact OD1-CG1 3.33Å; L53-V192 HydrophobicContact CB-CG2 3.85Å; L53-V192 HydrophobicContact CD1-CG1 4.21Å; R54-V192 HydrophobicContact CB-CG2 4.27Å; H190-V192 PolarHBondContact ND1-N 2.73Å; H190-V192 PolarHBondContact O-N 3.01Å; V192-Y195 PolarHBondContact O-N 2.95Å; V192-R196 PolarHBondContact O-N 3.37Å
193E64.9Low48.8Very low101 Ų10185.5 Ų85.547%0.47249%0.485SS..Hα-helixtrans-69.6-37.6178.7-64.7-178.5-17400112.1V189 H190 Y195 R196 K197V189-E193 HydrophobicContact CG1-CB 4.05Å; H190-E193 HydrophobicContact CB-CG 4.46Å; H190-E193 WeakPolarHBondContact O-CA 3.42Å; H190-E193 WeakPolarHBondContact O-CB 3.47Å; H190-E193 PolarHBondContact O-N 3.27Å; E193-Y195 VanDerWaalsContact C-N 3.32Å; E193-R196 PolarHBondContact O-N 2.92Å; E193-K197 WeakPolarHBondContact O-CG 3.46Å; E193-K197 PolarHBondContact O-N 3.09Å; E193-K197 VanDerWaalsContact O-N 3.08Å
194A57.5Low49Very low36 Ų3687.8 Ų87.830%0.29849%0.492SS..Hα-helixtrans-61.6-43.5173.400000110.6V189 H190 F191 K197 C198V189-A194 HydrophobicContact CG1-CB 4.02Å; H190-A194 PolarHBondContact O-N 2.92Å; F191-A194 PolarHBondContact O-N 3.11Å; A194-K197 PolarHBondContact O-N 2.68Å; A194-C198 PolarHBondContact O-N 2.76Å; A194-C198 PolarHBondContact O-SG 2.68Å
195Y65.6Low49.1Very low49 Ų4987.2 Ų87.219%0.19249%0.488CS..Hα-helixtrans-61.9-47.3177.5-170.5-86000112.2Y4 L53 F191 V192 E193 K197 C198 E199Y4-Y195 PolarHBondContact O-OH 3.14Å; L53-Y195 HydrophobicContact CD1-CD1 3.5Å; L53-Y195 VanDerWaalsContact CD1-CD1 3.5Å; L53-Y195 HydrophobicContact CD1-CE1 4.13Å; L53-Y195 HydrophobicContact CD1-CG 3.8Å; L53-Y195 HydrophobicContact CD2-CD1 3.87Å; L53-Y195 HydrophobicContact CD2-CD2 3.54Å; L53-Y195 HydrophobicContact CD2-CE1 4.24Å; L53-Y195 HydrophobicContact CD2-CE2 3.94Å; L53-Y195 HydrophobicContact CD2-CG 3.51Å; L53-Y195 HydrophobicContact CG-CD1 4.32Å; L53-Y195 HydrophobicContact CG-CG 4.33Å; F191-Y195 WeakPolarHBondContact O-CB 3.44Å; F191-Y195 PolarHBondContact O-N 2.98Å; V192-Y195 PolarHBondContact O-N 2.95Å; E193-Y195 VanDerWaalsContact C-N 3.32Å; Y195-K197 VanDerWaalsContact C-N 3.33Å; Y195-K197 PolarHBondContact O-N 3.47Å; Y195-C198 PolarHBondContact O-N 3.47Å; Y195-C198 VanDerWaalsContact O-N 3.16Å; Y195-E199 HydrophobicContact CD1-CG 4.5Å; Y195-E199 HydrophobicContact CE1-CG 3.99Å; Y195-E199 WeakPolarHBondContact CE1-OE1 3.45Å; Y195-E199 PolarHBondContact O-N 3.27Å; Y195-E199 PolarHBondContact OH-OE1 2.98Å; Y195-E199 VanDerWaalsContact OH-OE1 3.1Å
196R65.5Low49.4Very low89 Ų8989.9 Ų89.934%0.33650%0.495SS..Hα-helixtrans-61.5-37177.2-73.8-178174.5-160.5-4.5113D50 V192 E193 C198 A200D50-R196 IonicContact OD1-CZ 3.35Å; D50-R196 IonicContact OD1-NE 3.25Å; D50-R196 PolarHBondContact OD1-NE 2.91Å; D50-R196 IonicContact OD1-NH2 3.27Å; D50-R196 PolarHBondContact OD1-NH2 2.89Å; D50-R196 IonicContact OD2-CZ 2.99Å; D50-R196 IonicContact OD2-NH2 3.44Å; D50-R196 PolarHBondContact OD2-NH2 3.19Å; V192-R196 PolarHBondContact O-N 3.37Å; E193-R196 PolarHBondContact O-N 2.92Å; R196-C198 VanDerWaalsContact C-N 3.33Å; R196-A200 PolarHBondContact O-N 3.3Å
197K55.2Low49.4Very low115 Ų11591.6 Ų91.650%0.550%0.5SS..Hα-helixtrans-63-39.8175.5-76.4173.9-176.8169.40111.8E193 A194 Y195 A200 S201E193-K197 WeakPolarHBondContact O-CG 3.46Å; E193-K197 PolarHBondContact O-N 3.09Å; E193-K197 VanDerWaalsContact O-N 3.08Å; A194-K197 PolarHBondContact O-N 2.68Å; Y195-K197 VanDerWaalsContact C-N 3.33Å; Y195-K197 PolarHBondContact O-N 3.47Å; K197-A200 PolarHBondContact O-N 3.08Å; K197-S201 PolarHBondContact O-N 3.43Å; K197-S201 VanDerWaalsContact O-N 3.13Å; K197-S201 PolarHBondContact O-OG 3.35Å; K197-S201 VanDerWaalsContact O-OG 3.13Å
198C51Low49Very low72 Ų7293.7 Ų93.749%0.48650%0.5SS..Hα-helixtrans-67.1-38.5179.1-71.80000113.3A194 Y195 R196 S201 N202A194-C198 PolarHBondContact O-N 2.76Å; A194-C198 PolarHBondContact O-SG 2.68Å; Y195-C198 PolarHBondContact O-N 3.47Å; Y195-C198 VanDerWaalsContact O-N 3.16Å; R196-C198 VanDerWaalsContact C-N 3.33Å; C198-S201 WeakPolarHBondContact CA-OG 3.42Å; C198-S201 PolarHBondContact O-N 3.29Å; C198-S201 PolarHBondContact O-OG 3.2Å; C198-N202 WeakPolarHBondContact O-CB 3.3Å; C198-N202 PolarHBondContact O-N 3.41Å
199E54.5Low48.4Very low86 Ų8694.7 Ų94.740%0.40251%0.506SS..Hα-helixtrans-68.3-36.9176-73.8-167.8165.400112.3Y195 S201 N202 S203Y195-E199 HydrophobicContact CD1-CG 4.5Å; Y195-E199 HydrophobicContact CE1-CG 3.99Å; Y195-E199 WeakPolarHBondContact CE1-OE1 3.45Å; Y195-E199 PolarHBondContact O-N 3.27Å; Y195-E199 PolarHBondContact OH-OE1 2.98Å; Y195-E199 VanDerWaalsContact OH-OE1 3.1Å; E199-S201 VanDerWaalsContact C-N 3.35Å; E199-S201 PolarHBondContact O-N 2.96Å; E199-N202 PolarHBondContact O-N 2.99Å; E199-S203 PolarHBondContact O-N 3.36Å; E199-S203 PolarHBondContact O-OG 2.93Å
200A44.3Very low47.5Very low60 Ų6099 Ų9950%0.49653%0.526SS..Hα-helixtrans-64.1-37.8173.900000112.2R196 K197 S203R196-A200 PolarHBondContact O-N 3.3Å; K197-A200 PolarHBondContact O-N 3.08Å; A200-S203 PolarHBondContact O-OG 3.24Å; A200-S203 VanDerWaalsContact O-OG 3.13Å
201S38.4Very low46.2Very low72 Ų72106.7 Ų106.750%0.50356%0.562SS.*Hα-helixtrans-74.5-27.2175.747.90000114.2K197 C198 E199K197-S201 PolarHBondContact O-N 3.43Å; K197-S201 VanDerWaalsContact O-N 3.13Å; K197-S201 PolarHBondContact O-OG 3.35Å; K197-S201 VanDerWaalsContact O-OG 3.13Å; C198-S201 WeakPolarHBondContact CA-OG 3.42Å; C198-S201 PolarHBondContact O-N 3.29Å; C198-S201 PolarHBondContact O-OG 3.2Å; E199-S201 VanDerWaalsContact C-N 3.35Å; E199-S201 PolarHBondContact O-N 2.96Å
202N40.9Very low44.8Very low125 Ų125110.7 Ų110.767%0.66860%0.595SS**Hα-helixtrans-86.2-9-179.8-75.6-14.4000113.7C198 E199C198-N202 WeakPolarHBondContact O-CB 3.3Å; C198-N202 PolarHBondContact O-N 3.41Å; E199-N202 PolarHBondContact O-N 2.99Å
203S41.2Very low43.2Very low90 Ų90117 Ų11763%0.62963%0.628SS**THydrogen-bonded Turntrans-90.8-1.9178.637.50000114E199 A200E199-S203 PolarHBondContact O-N 3.36Å; E199-S203 PolarHBondContact O-OG 2.93Å; A200-S203 PolarHBondContact O-OG 3.24Å; A200-S203 VanDerWaalsContact O-OG 3.13Å
204E34.7Very low41.8Very low179 Ų179117.7 Ų117.784%0.83664%0.641SS**SBendtrans-95.49.3179-71.7-170.1157.100115.1
205S30Very low40.6Very low93 Ų93123 Ų12365%0.6566%0.664SS**  trans-129.875.6177.765.50000112.8
206V31.9Very low38.8Very low143 Ų143128.5 Ų128.587%0.86769%0.689SS**  trans-126.1125.3156.7-178.80000108.3
207N32.1Very low37.4Very low156 Ų156131.7 Ų131.783%0.83471%0.712SS**  trans-58.2141.1-162.9-67.8-44.7000114.7
208R29Very low36.2Very low226 Ų226132.8 Ų132.885%0.85372%0.723SS**  trans-60.3139.5152.7-67175.6178.5167.70108.3
209D32Very low35.5Very low149 Ų149136 Ų13680%0.79774%0.74SS**  trans168.2102.8137.5-78.1-16.7000109.1
210N34.6Very low34.6Very low166 Ų166139.5 Ų139.589%0.88876%0.762SS**  177133.1120.5-97.4-25.5000112.8
211E33Very low34.2Very low183 Ų183142 Ų14286%0.85577%0.773SS**  trans-60.4143.5174.8-59.1-177.8129.800112.8
212S38.6Very low34.1Very low122 Ų122144 Ų14485%0.85379%0.787SS**  155.8113.5119.747.50000111.5
213N33.5Very low33.7Very low144 Ų144147 Ų14777%0.7779%0.794SS**  trans-78.7160158.9-135.3-6.9000107.2
214P33.8Very low33.5Very low116 Ų116149.3 Ų149.375%0.75380%0.804SS**  -153.4160.757.935.8-12.4000118.2
215L32.2Very low33.4Very low149 Ų149149.8 Ų149.878%0.7880%0.804SS**  trans8.6148.7145.9-81.3161.7000122
216F29.1Very low33.7Very low163 Ų163149.7 Ų149.772%0.71580%0.803SS**  trans102.8110.5145.2-132.4-96.8000115.8
217L35.5Very low33.7Very low157 Ų157151.2 Ų151.282%0.82281%0.806SS**  -175.7110.8116.5-93.1158.3000110.6
218L30.4Very low33.9Very low138 Ų138152.3 Ų152.372%0.72380%0.804SS**  trans-59.3142.9154.5-80.4131.1000109.6
219T36Very low34.3Very low139 Ų139145.8 Ų145.885%0.85379%0.793SS**  178.9117.3127.530.50000111
220N35.4Very low34.9Very low159 Ų159145.9 Ų145.985%0.8579%0.792SS**  trans-66.1160.3159.9-99.1-13.4000109.6
221P36.9Very low35.7Very low114 Ų114146 Ų14674%0.7479%0.787SS**  -147.6159.958.236.5-14.6000114.7
222S35.5Very low37.3Very low114 Ų114140.5 Ų140.580%0.79777%0.769SS**  170.4150.284.140.70000110.8
223K32.7Very low39.7Very low186 Ų186142 Ų14281%0.80976%0.756SS**  trans-62.2132.5-174.9-73.1157.2168.5169.50113.4
224V37.5Very low42.7Very low139 Ų139138 Ų13884%0.84274%0.735SS**  trans-133.7102.5140.9-177.70000107.6S226V224-S226 PolarHBondContact O-N 3.35Å
225K32.3Very low45.7Very low190 Ų190134 Ų13483%0.82671%0.705SS**  trans-73.5115169.6-71.3-177.3174-173.90107.2
226S35.2Very low48.8Very low91 Ų91127.1 Ų127.164%0.63667%0.669SS**  trans-112.3120.3160.756.90000107.5V224 K228V224-S226 PolarHBondContact O-N 3.35Å; S226-K228 PolarHBondContact O-N 3.38Å
227D32.7Very low52.1Low174 Ų174119.4 Ų119.493%0.9364%0.635SS**  trans-65.980.4170.8-78.3-37.4000109.1
228K36.7Very low55.1Low180 Ų180111.9 Ų111.978%0.78360%0.596SS**  trans-87.9109.5154.8-80.1-175.9176.6178.20106S226 L230S226-K228 PolarHBondContact O-N 3.38Å; K228-L230 PolarHBondContact O-N 2.86Å
229S37.2Very low58.3Low89 Ų89105.3 Ų105.362%0.62256%0.561SS**  trans-26.6129165.454.20000110.9Q231S229-Q231 PolarHBondContact O-N 2.72Å
230L43.5Very low61.3Low150 Ų15098.9 Ų98.979%0.78552%0.522SS*.  trans-54.184.5174.3-87.391.2000109.8K228 S232K228-L230 PolarHBondContact O-N 2.86Å; L230-S232 PolarHBondContact O-N 3.35Å
231Q51.9Low64.3Low168 Ų16891.3 Ų91.379%0.78548%0.481SS*.  trans-72.4103.7168.6-80.2-179.2-9.500105S229 R233S229-Q231 PolarHBondContact O-N 2.72Å; Q231-R233 PolarHBondContact O-N 2.81Å
232S66.7Low67.1Low69 Ų6986.6 Ų86.648%0.48345%0.451SS..PPolyproline II helixtrans-50.3123.8173.252.70000108.9L230 L234L230-S232 PolarHBondContact O-N 3.35Å; S232-L234 PolarHBondContact O-N 2.97Å
233R89.9Confident70Confident152 Ų15282.5 Ų82.557%0.57442%0.42SS*.EExtended strand (participates in β ladder)trans-71.8129.9176.9-167.8173.379.3114.2-2.4108.4Q231 I385Q231-R233 PolarHBondContact O-N 2.81Å; R233-I385 PolarHBondContact O-N 2.6Å
234L95.3Very high73.1Confident61 Ų6173.7 Ų73.732%0.31938%0.381SS..EExtended strand (participates in β ladder)trans-65.2137.2172.7-66.4176.5000109.9S232 G270 T384S232-L234 PolarHBondContact O-N 2.97Å; L234-G270 VanDerWaalsContact CD1-C 3.4Å; L234-G270 WeakPolarHBondContact CD1-O 3.3Å; L234-T384 HydrophobicContact CD2-CG2 4.1Å
235R96.6Very high76Confident33 Ų3367 Ų6713%0.12534%0.341CS..PPolyproline II helixtrans-72.7142.2177.5-170.2177.4-69.6-86.32.5110H271 N328 C382 L383 T384 I385R235-H271 PolarHBondContact O-CE1 3.43Å; R235-H271 PolarHBondContact O-ND1 3.17Å; R235-N328 WeakPolarHBondContact CD-O 3.3Å; R235-N328 VanDerWaalsContact CG-O 3.24Å; R235-N328 WeakPolarHBondContact CG-O 3.43Å; R235-N328 VanDerWaalsContact NH1-CG 3.29Å; R235-N328 PolarHBondContact NH1-ND2 3.36Å; R235-N328 PolarHBondContact NH1-O 2.84Å; R235-N328 PolarHBondContact NH1-OD1 2.94Å; R235-C382 WeakPolarHBondContact CD-O 3.41Å; R235-C382 PolarHBondContact NE-O 2.83Å; R235-C382 VanDerWaalsContact NE-O 3.17Å; R235-L383 WeakPolarHBondContact CB-O 3.35Å; R235-L383 PolarHBondContact N-O 3.05Å; R235-T384 PolarHBondContact NE-O 2.94Å; R235-T384 PolarHBondContact NH2-O 3.22Å; R235-I385 HydrophobicContact CB-CD1 4.48Å; R235-I385 HydrophobicContact CB-CG1 3.95Å; R235-I385 HydrophobicContact CG-CG1 4.19Å
236P97.9Very high79Confident4 Ų460.4 Ų60.43%0.02631%0.313CS..PPolyproline II helixtrans-58.8151.3170.9-25.936.8000112D273 K327 A329 V330P236-D273 WeakPolarHBondContact CA-O 3.47Å; P236-D273 HydrophobicContact CB-CB 4.17Å; P236-D273 WeakPolarHBondContact CB-OD2 3.47Å; P236-D273 HydrophobicContact CG-CB 4.36Å; P236-D273 VanDerWaalsContact CG-OD2 3.31Å; P236-D273 WeakPolarHBondContact CG-OD2 3.49Å; P236-K327 HydrophobicContact CB-CB 4.49Å; P236-A329 HydrophobicContact CB-CB 3.87Å; P236-A329 WeakPolarHBondContact O-CA 2.93Å; P236-A329 VanDerWaalsContact O-CB 3.26Å; P236-A329 WeakPolarHBondContact O-CB 3.43Å; P236-V330 PolarHBondContact O-N 3.33Å
237I98.6Very high81.9Confident0 Ų057 Ų570%029%0.29CS..EExtended strand (participates in β ladder)trans-117.8126-178.4-50.5-59.1000109.4I239 F266 H271 D273 I274 V275 V330 I332 L383I237-I239 HydrophobicContact CG2-CD1 4.46Å; I237-I239 HydrophobicContact CG2-CG1 3.84Å; I237-F266 HydrophobicContact CD1-CD1 3.99Å; I237-F266 HydrophobicContact CD1-CE1 4Å; I237-F266 HydrophobicContact CG1-CD1 3.86Å; I237-F266 HydrophobicContact CG1-CE1 4.26Å; I237-F266 HydrophobicContact CG1-CG 4.15Å; I237-F266 HydrophobicContact CG2-CD1 4.31Å; I237-F266 HydrophobicContact CG2-CD2 4Å; I237-F266 HydrophobicContact CG2-CE1 4.21Å; I237-F266 HydrophobicContact CG2-CE2 3.91Å; I237-F266 HydrophobicContact CG2-CG 4.23Å; I237-F266 HydrophobicContact CG2-CZ 4.03Å; I237-H271 HydrophobicContact CG1-CB 4.41Å; I237-H271 WeakPolarHBondContact CG1-ND1 3.25Å; I237-D273 PolarHBondContact N-O 2.85Å; I237-I274 HydrophobicContact CB-CB 4.48Å; I237-I274 HydrophobicContact CB-CG1 4.25Å; I237-I274 HydrophobicContact CB-CG2 4.21Å; I237-I274 HydrophobicContact CG1-CG1 4.31Å; I237-I274 HydrophobicContact CG2-CG2 4.44Å; I237-I274 CarbonylContact O-C 3.55Å; I237-I274 WeakPolarHBondContact O-CA 3.32Å; I237-V275 PolarHBondContact O-N 3.04Å; I237-V330 HydrophobicContact CD1-CG2 3.33Å; I237-I332 HydrophobicContact CG2-CD1 4.18Å; I237-I332 HydrophobicContact CG2-CG1 3.53Å; I237-L383 HydrophobicContact CD1-CD2 3.67Å
238I98.5Very high85Confident0 Ų050.4 Ų50.40%025%0.253CS..EExtended strand (participates in β ladder)trans-105.8123.1165.4-55.8-54000108.1V275 V277 I320 L323 A324 K327 A329 V330 V331 I332I238-V275 CarbonylContact C-O 3.58Å; I238-V275 VanDerWaalsContact CA-O 3.31Å; I238-V275 WeakPolarHBondContact CA-O 3.46Å; I238-V275 HydrophobicContact CD1-CB 3.78Å; I238-V275 HydrophobicContact CD1-CG2 4.39Å; I238-V277 HydrophobicContact CG2-CG2 3.92Å; I238-I320 HydrophobicContact CG2-CG2 3.97Å; I238-L323 HydrophobicContact CD1-CD2 3.8Å; I238-L323 HydrophobicContact CD1-CG 3.86Å; I238-L323 HydrophobicContact CG1-CG 4.47Å; I238-A324 HydrophobicContact CB-CB 4.14Å; I238-A324 HydrophobicContact CG1-CB 3.69Å; I238-K327 HydrophobicContact CD1-CD 4.25Å; I238-A329 HydrophobicContact CD1-CB 4.36Å; I238-A329 HydrophobicContact CG1-CB 3.69Å; I238-V330 PolarHBondContact N-O 3.23Å; I238-V331 HydrophobicContact CB-CG2 4.42Å; I238-V331 CarbonylContact O-C 3.54Å; I238-V331 WeakPolarHBondContact O-CA 3.41Å; I238-I332 PolarHBondContact O-N 3.33Å
239I98.6Very high87.7Confident0 Ų042 Ų420%022%0.218CC..EExtended strand (participates in β ladder)trans-104.1125.3177.8-57.9176.1000108.3I237 G241 V244 A262 F266 I274 V275 I276 V277 I332I237-I239 HydrophobicContact CG2-CD1 4.46Å; I237-I239 HydrophobicContact CG2-CG1 3.84Å; I239-G241 PolarHBondContact O-N 3.14Å; I239-V244 HydrophobicContact CG2-CB 4.4Å; I239-V244 HydrophobicContact CG2-CG2 3.73Å; I239-A262 HydrophobicContact CD1-CB 4.13Å; I239-F266 HydrophobicContact CD1-CD2 4.01Å; I239-F266 HydrophobicContact CD1-CE2 4.19Å; I239-F266 HydrophobicContact CG1-CE2 4.44Å; I239-I274 HydrophobicContact CD1-CG2 3.76Å; I239-I274 HydrophobicContact CG1-CG2 4.3Å; I239-V275 PolarHBondContact N-O 3.38Å; I239-I276 HydrophobicContact CB-CG1 4.06Å; I239-I276 HydrophobicContact CD1-CG1 4Å; I239-I276 HydrophobicContact CG1-CG1 4.46Å; I239-V277 PolarHBondContact O-N 2.95Å; I239-I332 HydrophobicContact CG1-CB 4.33Å; I239-I332 HydrophobicContact CG1-CG1 4.24Å
240D98.1Very high90.3Very high4 Ų446.1 Ų46.12%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-70.996.8164.4-177.5-22.6000108.5S242 N243 V244 I320 I332 S333 Y337D240-S242 VanDerWaalsContact C-N 3.32Å; D240-S242 PolarHBondContact O-N 3.24Å; D240-S242 PolarHBondContact OD1-N 2.56Å; D240-N243 HydrophobicContact CB-CB 3.86Å; D240-N243 PolarHBondContact O-N 3.44Å; D240-N243 WeakPolarHBondContact OD1-CB 3.23Å; D240-N243 PolarHBondContact OD1-N 3.08Å; D240-N243 WeakPolarHBondContact OD2-CB 3.48Å; D240-V244 WeakPolarHBondContact O-CG2 3.48Å; D240-V244 PolarHBondContact O-N 3.06Å; D240-V244 VanDerWaalsContact O-N 3.08Å; D240-I320 HydrophobicContact CB-CD1 3.94Å; D240-I332 WeakPolarHBondContact CB-O 3.36Å; D240-I332 PolarHBondContact N-O 3.04Å; D240-I332 VanDerWaalsContact N-O 3.08Å; D240-S333 PolarHBondContact OD2-OG 3.33Å; D240-S333 VanDerWaalsContact OD2-OG 3.07Å; D240-Y337 PolarHBondContact OD2-OH 3.48Å
241G97.8Very high92.4Very high0 Ų045.4 Ų45.40%022%0.217CC..Hα-helixtrans-70.4-31.6-172.100000112.4I239 S245 I259 V277I239-G241 PolarHBondContact O-N 3.14Å; G241-S245 WeakPolarHBondContact O-CB 3.41Å; G241-S245 PolarHBondContact O-N 2.86Å; G241-S245 PolarHBondContact O-OG 3.27Å; G241-I259 VanDerWaalsContact CA-CD1 3.43Å; G241-I259 WeakPolarHBondContact O-CD1 3.37Å; G241-V277 WeakPolarHBondContact CA-O 3.4Å; G241-V277 PolarHBondContact N-O 2.99Å
242S95.9Very high94.1Very high14 Ų1445.8 Ų45.810%0.09822%0.216CC..Hα-helixtrans-62.4-52.9173.1-65.80000110D240 V244 S245 F246 P279D240-S242 VanDerWaalsContact C-N 3.32Å; D240-S242 PolarHBondContact O-N 3.24Å; D240-S242 PolarHBondContact OD1-N 2.56Å; S242-V244 PolarHBondContact O-N 3.4Å; S242-S245 PolarHBondContact O-N 3.36Å; S242-F246 WeakPolarHBondContact O-CD2 3.29Å; S242-F246 PolarHBondContact O-N 3.1Å; S242-P279 WeakPolarHBondContact OG-CD 3.22Å
243N97.5Very high95.2Very high29 Ų2944.3 Ų44.316%0.15520%0.202CC..Hα-helixtrans-57.3-49.5-178-170.3-87.5000111.8D240 S245 F246 A247 S333 N334 D335 Y358D240-N243 HydrophobicContact CB-CB 3.86Å; D240-N243 PolarHBondContact O-N 3.44Å; D240-N243 WeakPolarHBondContact OD1-CB 3.23Å; D240-N243 PolarHBondContact OD1-N 3.08Å; D240-N243 WeakPolarHBondContact OD2-CB 3.48Å; N243-S245 PolarHBondContact O-N 3.37Å; N243-F246 PolarHBondContact O-N 3.49Å; N243-A247 WeakPolarHBondContact O-CB 3.47Å; N243-A247 PolarHBondContact O-N 3.05Å; N243-S333 PolarHBondContact ND2-OG 2.94Å; N243-N334 PolarHBondContact OD1-N 3.32Å; N243-D335 PolarHBondContact ND2-N 2.59Å; N243-Y358 VanDerWaalsContact C-OH 3.23Å; N243-Y358 PolarHBondContact O-OH 3.33Å; N243-Y358 WeakPolarHBondContact OD1-CE1 3.44Å; N243-Y358 VanDerWaalsContact OD1-CZ 3.31Å; N243-Y358 PolarHBondContact OD1-OH 2.92Å
244V98.2Very high95.4Very high0 Ų038 Ų380%018%0.179CC..Hα-helixtrans-62.9-43.1178.4170.90000112.2I239 D240 S242 A247 H248 G258 I259 A262 Y358 M360 F365I239-V244 HydrophobicContact CG2-CB 4.4Å; I239-V244 HydrophobicContact CG2-CG2 3.73Å; D240-V244 WeakPolarHBondContact O-CG2 3.48Å; D240-V244 PolarHBondContact O-N 3.06Å; D240-V244 VanDerWaalsContact O-N 3.08Å; S242-V244 PolarHBondContact O-N 3.4Å; V244-A247 PolarHBondContact O-N 2.95Å; V244-H248 PolarHBondContact O-N 3.28Å; V244-H248 VanDerWaalsContact O-N 3.13Å; V244-G258 WeakPolarHBondContact CG1-O 3.12Å; V244-I259 HydrophobicContact CB-CD1 4.41Å; V244-I259 HydrophobicContact CG1-CD1 4.39Å; V244-A262 HydrophobicContact CG1-CB 3.93Å; V244-Y358 VanDerWaalsContact CA-OH 3.32Å; V244-Y358 WeakPolarHBondContact CA-OH 3.41Å; V244-Y358 HydrophobicContact CG2-CD1 4.45Å; V244-Y358 HydrophobicContact CG2-CE1 3.81Å; V244-Y358 HydrophobicContact CG2-CE2 4.43Å; V244-Y358 PolarHBondContact N-OH 2.84Å; V244-M360 HydrophobicContact CG1-CE 4.02Å; V244-F365 HydrophobicContact CG1-CE2 4.43Å; V244-F365 HydrophobicContact CG2-CE2 4.23Å
245S97.5Very high95.4Very high0 Ų035.7 Ų35.70%017%0.168CC..Hα-helixtrans-65.2-42.9-178.9-60.20000111.6G241 S242 N243 H248 G249 F254 S255 I259G241-S245 WeakPolarHBondContact O-CB 3.41Å; G241-S245 PolarHBondContact O-N 2.86Å; G241-S245 PolarHBondContact O-OG 3.27Å; S242-S245 PolarHBondContact O-N 3.36Å; N243-S245 PolarHBondContact O-N 3.37Å; S245-H248 PolarHBondContact O-N 3.41Å; S245-G249 PolarHBondContact O-N 3.28Å; S245-F254 WeakPolarHBondContact OG-CE2 3.44Å; S245-F254 WeakPolarHBondContact OG-CZ 3.46Å; S245-S255 WeakPolarHBondContact CA-O 3.48Å; S245-S255 WeakPolarHBondContact CB-O 3.4Å; S245-S255 WeakPolarHBondContact O-CB 3.49Å; S245-S255 PolarHBondContact O-N 2.94Å; S245-S255 VanDerWaalsContact O-N 3.13Å; S245-S255 PolarHBondContact OG-O 3.43Å; S245-I259 VanDerWaalsContact OG-CD1 3.31Å; S245-I259 WeakPolarHBondContact OG-CD1 3.5Å; S245-I259 VanDerWaalsContact OG-CG1 3.31Å; S245-I259 WeakPolarHBondContact OG-CG1 3.43Å
246F96.1Very high95.4Very high51 Ų5135.1 Ų35.122%0.22417%0.168CC..Hα-helixtrans-71.8-34.3177.3-79.3-67.9000112.6S242 N243 H248 G249 K250 Q251 E253 F254 Y282S242-F246 WeakPolarHBondContact O-CD2 3.29Å; S242-F246 PolarHBondContact O-N 3.1Å; N243-F246 PolarHBondContact O-N 3.49Å; F246-H248 VanDerWaalsContact C-N 3.34Å; F246-H248 PolarHBondContact O-N 3.47Å; F246-G249 CarbonylContact O-C 3.38Å; F246-G249 PolarHBondContact O-N 2.92Å; F246-K250 PolarHBondContact O-N 3.05Å; F246-Q251 WeakPolarHBondContact O-CA 3.4Å; F246-Q251 PolarHBondContact O-N 3.48Å; F246-E253 VanDerWaalsContact CD1-O 3.31Å; F246-E253 WeakPolarHBondContact CD1-O 3Å; F246-F254 HydrophobicContact CE1-CB 4.36Å; F246-F254 HydrophobicContact CE2-CD2 4.11Å; F246-F254 HydrophobicContact CZ-CB 4.16Å; F246-Y282 HydrophobicContact CE2-CE2 4.46Å; F246-Y282 AromaticContact CE2-CZ 3.96Å; F246-Y282 WeakPolarHBondContact CE2-OH 3.37Å; F246-Y282 HydrophobicContact CZ-CE1 4.36Å; F246-Y282 AromaticContact CZ-CZ 3.98Å; F246-Y282 VanDerWaalsContact CZ-OH 3.3Å; F246-Y282 WeakPolarHBondContact CZ-OH 3.46Å
247A95.8Very high95.3Very high20 Ų2037 Ų3717%0.16518%0.177CC..Hα-helixtrans-61-42.6173.500000112.3N243 V244 K250 Y358 M360N243-A247 WeakPolarHBondContact O-CB 3.47Å; N243-A247 PolarHBondContact O-N 3.05Å; V244-A247 PolarHBondContact O-N 2.95Å; A247-K250 PolarHBondContact O-N 3.18Å; A247-Y358 HydrophobicContact CB-CE2 3.77Å; A247-Y358 WeakPolarHBondContact CB-OH 3.45Å; A247-M360 HydrophobicContact CB-CB 4.06Å; A247-M360 HydrophobicContact CB-CG 4.44Å
248H97.6Very high95.3Very high34 Ų3437 Ų3716%0.15718%0.177CC..Hα-helixtrans-67.6-44.3174.7-176.2-86.7000112V244 S245 F246 K250 S255 M360 G362 N363V244-H248 PolarHBondContact O-N 3.28Å; V244-H248 VanDerWaalsContact O-N 3.13Å; S245-H248 PolarHBondContact O-N 3.41Å; F246-H248 VanDerWaalsContact C-N 3.34Å; F246-H248 PolarHBondContact O-N 3.47Å; H248-K250 PolarHBondContact O-N 3.45Å; H248-S255 PolarHBondContact CE1-OG 3.24Å; H248-S255 WeakPolarHBondContact ND1-CB 3.37Å; H248-S255 PolarHBondContact ND1-OG 2.78Å; H248-M360 HydrophobicContact CB-CE 3.96Å; H248-M360 HydrophobicContact CB-CG 4.04Å; H248-M360 HydrophobicContact CB-SD 4.08Å; H248-G362 PolarHBondContact CD2-O 2.93Å; H248-G362 VanDerWaalsContact CD2-O 3.24Å; H248-G362 PolarHBondContact NE2-O 3.12Å; H248-N363 PolarHBondContact NE2-OD1 2.97Å
249G92.9Very high95.3Very high4 Ų437.1 Ų37.14%0.04118%0.177CC..THydrogen-bonded Turntrans-72.619.4175.400000115.2S245 F246 Q251 K252 E253S245-G249 PolarHBondContact O-N 3.28Å; F246-G249 CarbonylContact O-C 3.38Å; F246-G249 PolarHBondContact O-N 2.92Å; G249-Q251 PolarHBondContact O-N 2.92Å; G249-Q251 VanDerWaalsContact O-N 3.13Å; G249-K252 PolarHBondContact O-N 3.21Å; G249-E253 WeakPolarHBondContact CA-O 3.12Å; G249-E253 PolarHBondContact O-N 2.68Å
250K90.9Very high95.2Very high175 Ų17539.6 Ų39.676%0.76119%0.186SC*.THydrogen-bonded Turntrans52.236.3178.3-59176.7-178.5172.60113.7F246 A247 H248 K252F246-K250 PolarHBondContact O-N 3.05Å; A247-K250 PolarHBondContact O-N 3.18Å; H248-K250 PolarHBondContact O-N 3.45Å; K250-K252 PolarHBondContact O-N 2.94Å; K250-K252 VanDerWaalsContact O-N 3.15Å
251Q88.7Confident95.2Very high135 Ų13540.7 Ų40.763%0.63119%0.192SC*.THydrogen-bonded Turntrans6016.6-176.7-51.6-60.9-27.200114.2F246 G249F246-Q251 WeakPolarHBondContact O-CA 3.4Å; F246-Q251 PolarHBondContact O-N 3.48Å; G249-Q251 PolarHBondContact O-N 2.92Å; G249-Q251 VanDerWaalsContact O-N 3.13Å
252K87.2Confident95.3Very high176 Ų17640.7 Ų40.777%0.76519%0.192SC*.THydrogen-bonded Turntrans-108.1-29.6-179.3-68.4-178.3-178.9-174.30112.8G249 K250G249-K252 PolarHBondContact O-N 3.21Å; K250-K252 PolarHBondContact O-N 2.94Å; K250-K252 VanDerWaalsContact O-N 3.15Å
253E90.6Very high95.4Very high38 Ų3840.1 Ų40.118%0.17819%0.188CC..SBendtrans-146.3155.5-173.860.4-180155.400111.7V175 F246 G249 S255V175-E253 WeakPolarHBondContact CA-OE2 3.48Å; V175-E253 WeakPolarHBondContact CB-OE2 3.31Å; V175-E253 WeakPolarHBondContact CG1-OE2 3.36Å; V175-E253 PolarHBondContact N-OE2 3.22Å; F246-E253 VanDerWaalsContact CD1-O 3.31Å; F246-E253 WeakPolarHBondContact CD1-O 3Å; G249-E253 WeakPolarHBondContact CA-O 3.12Å; G249-E253 PolarHBondContact O-N 2.68Å; E253-S255 PolarHBondContact O-N 3.39Å
254F93.8Very high95.4Very high19 Ų1942.2 Ų42.28%0.08320%0.199CC..  trans-82.1107.4171.7-176-78.4000108.7S245 F246 V256 I278 Y282 K285 F290S245-F254 WeakPolarHBondContact OG-CE2 3.44Å; S245-F254 WeakPolarHBondContact OG-CZ 3.46Å; F246-F254 HydrophobicContact CE1-CB 4.36Å; F246-F254 HydrophobicContact CE2-CD2 4.11Å; F246-F254 HydrophobicContact CZ-CB 4.16Å; F254-V256 HydrophobicContact CE1-CG2 4.49Å; F254-I278 HydrophobicContact CE2-CG2 4.37Å; F254-I278 HydrophobicContact CZ-CG2 4.11Å; F254-Y282 HydrophobicContact CB-CD1 4.05Å; F254-Y282 HydrophobicContact CB-CE1 3.93Å; F254-Y282 HydrophobicContact CD1-CD1 4.34Å; F254-Y282 AromaticContact CD2-CD1 3.67Å; F254-Y282 HydrophobicContact CD2-CD1 3.67Å; F254-Y282 AromaticContact CD2-CD2 3.87Å; F254-Y282 HydrophobicContact CD2-CD2 3.87Å; F254-Y282 AromaticContact CD2-CE1 3.82Å; F254-Y282 HydrophobicContact CD2-CE1 3.82Å; F254-Y282 AromaticContact CD2-CE2 3.99Å; F254-Y282 HydrophobicContact CD2-CE2 3.99Å; F254-Y282 AromaticContact CD2-CG 3.71Å; F254-Y282 HydrophobicContact CD2-CG 3.71Å; F254-Y282 AromaticContact CD2-CZ 4Å; F254-Y282 HydrophobicContact CE2-CD1 4.19Å; F254-Y282 AromaticContact CE2-CD2 3.77Å; F254-Y282 HydrophobicContact CE2-CD2 3.77Å; F254-Y282 HydrophobicContact CE2-CE2 4.24Å; F254-Y282 AromaticContact CE2-CG 3.74Å; F254-Y282 HydrophobicContact CE2-CG 3.74Å; F254-Y282 AromaticContact CG-CD1 3.76Å; F254-Y282 HydrophobicContact CG-CD1 3.76Å; F254-Y282 HydrophobicContact CG-CE1 4.03Å; F254-Y282 HydrophobicContact CG-CG 4.16Å; F254-Y282 HydrophobicContact CZ-CG 4.23Å; F254-K285 HydrophobicContact CD1-CB 4.02Å; F254-K285 HydrophobicContact CD1-CG 4.27Å; F254-K285 HydrophobicContact CE1-CB 4.32Å; F254-F290 AromaticContact CE1-CE2 3.98Å; F254-F290 HydrophobicContact CE1-CE2 3.98Å; F254-F290 AromaticContact CE1-CZ 3.76Å; F254-F290 HydrophobicContact CE1-CZ 3.76Å; F254-F290 HydrophobicContact CZ-CE2 4.25Å; F254-F290 HydrophobicContact CZ-CZ 4.07Å
255S95.1Very high95.4Very high14 Ų1443.9 Ų43.910%0.09821%0.206CC..  trans-100.1116.6179.7176.80000113.1S245 H248 E253 Q257 G258S245-S255 WeakPolarHBondContact CA-O 3.48Å; S245-S255 WeakPolarHBondContact CB-O 3.4Å; S245-S255 WeakPolarHBondContact O-CB 3.49Å; S245-S255 PolarHBondContact O-N 2.94Å; S245-S255 VanDerWaalsContact O-N 3.13Å; S245-S255 PolarHBondContact OG-O 3.43Å; H248-S255 PolarHBondContact CE1-OG 3.24Å; H248-S255 WeakPolarHBondContact ND1-CB 3.37Å; H248-S255 PolarHBondContact ND1-OG 2.78Å; E253-S255 PolarHBondContact O-N 3.39Å; S255-Q257 PolarHBondContact O-N 3.02Å; S255-Q257 PolarHBondContact OG-N 2.84Å; S255-G258 PolarHBondContact O-N 3.44Å; S255-G258 VanDerWaalsContact O-N 3.11Å
256V96.2Very high95.4Very high21 Ų2143.9 Ų43.913%0.12721%0.206CC..Hα-helixtrans-60.5-29.3174179.60000111.7F254 G258 I259 R260 K285 Y289 F290F254-V256 HydrophobicContact CE1-CG2 4.49Å; V256-G258 PolarHBondContact O-N 3.03Å; V256-I259 WeakPolarHBondContact O-CB 3.46Å; V256-I259 PolarHBondContact O-N 3.39Å; V256-I259 VanDerWaalsContact O-N 3.15Å; V256-R260 PolarHBondContact O-N 3.35Å; V256-K285 HydrophobicContact CG2-CB 4.45Å; V256-K285 VanDerWaalsContact CG2-O 3.28Å; V256-K285 WeakPolarHBondContact CG2-O 3.39Å; V256-Y289 HydrophobicContact CG1-CD1 3.56Å; V256-Y289 HydrophobicContact CG1-CE1 4.06Å; V256-F290 HydrophobicContact CG1-CE1 3.89Å; V256-F290 HydrophobicContact CG1-CZ 4.4Å; V256-F290 HydrophobicContact CG2-CE1 4.4Å; V256-F290 HydrophobicContact CG2-CZ 4.12Å
257Q96.4Very high95.5Very high44 Ų4445.9 Ų45.921%0.20621%0.214CC..Hα-helixtrans-63.5-32.4177.9-174.260.818.600111.9S255 I259 R260 L261S255-Q257 PolarHBondContact O-N 3.02Å; S255-Q257 PolarHBondContact OG-N 2.84Å; Q257-I259 VanDerWaalsContact C-N 3.32Å; Q257-I259 PolarHBondContact O-N 3.25Å; Q257-R260 PolarHBondContact O-N 3.06Å; Q257-L261 HydrophobicContact CG-CD1 4.3Å; Q257-L261 VanDerWaalsContact O-CG 3.28Å; Q257-L261 WeakPolarHBondContact O-CG 3.39Å; Q257-L261 PolarHBondContact O-N 3.07Å
258G97.7Very high95.5Very high0 Ų053.3 Ų53.30%024%0.243CC..Hα-helixtrans-58.2-45173.300000112.1V244 S255 V256 R260 L261 A262V244-G258 WeakPolarHBondContact CG1-O 3.12Å; S255-G258 PolarHBondContact O-N 3.44Å; S255-G258 VanDerWaalsContact O-N 3.11Å; V256-G258 PolarHBondContact O-N 3.03Å; G258-R260 PolarHBondContact O-N 2.93Å; G258-L261 PolarHBondContact O-N 3.47Å; G258-A262 PolarHBondContact O-N 3.13Å; G258-A262 VanDerWaalsContact O-N 3.1Å
259I98.2Very high95.4Very high1 Ų155.9 Ų55.91%0.00525%0.251CS..Hα-helixtrans-60.4-46.2176.2-59.8-57.5000111.3G241 V244 S245 V256 Q257 L261 A262 L263 I276 Y289 F290 L293G241-I259 VanDerWaalsContact CA-CD1 3.43Å; G241-I259 WeakPolarHBondContact O-CD1 3.37Å; V244-I259 HydrophobicContact CB-CD1 4.41Å; V244-I259 HydrophobicContact CG1-CD1 4.39Å; S245-I259 VanDerWaalsContact OG-CD1 3.31Å; S245-I259 WeakPolarHBondContact OG-CD1 3.5Å; S245-I259 VanDerWaalsContact OG-CG1 3.31Å; S245-I259 WeakPolarHBondContact OG-CG1 3.43Å; V256-I259 WeakPolarHBondContact O-CB 3.46Å; V256-I259 PolarHBondContact O-N 3.39Å; V256-I259 VanDerWaalsContact O-N 3.15Å; Q257-I259 VanDerWaalsContact C-N 3.32Å; Q257-I259 PolarHBondContact O-N 3.25Å; I259-L261 VanDerWaalsContact C-N 3.33Å; I259-L261 PolarHBondContact O-N 3.49Å; I259-A262 PolarHBondContact O-N 3.38Å; I259-L263 WeakPolarHBondContact O-CB 3.47Å; I259-L263 PolarHBondContact O-N 3.08Å; I259-I276 HydrophobicContact CD1-CG2 3.91Å; I259-I276 HydrophobicContact CG2-CD1 3.52Å; I259-I276 HydrophobicContact CG2-CG1 4.28Å; I259-I276 HydrophobicContact CG2-CG2 4.28Å; I259-Y289 HydrophobicContact CG2-CE1 4.33Å; I259-F290 HydrophobicContact CG1-CE1 4.44Å; I259-F290 HydrophobicContact CG1-CZ 4.42Å; I259-L293 HydrophobicContact CG2-CD1 4.27Å
260R97.8Very high95.6Very high52 Ų5257.6 Ų57.620%0.19627%0.269CS..Hα-helixtrans-56.8-47.6178.8-71.1-178.9-176142.3-6.9111.4E172 V256 Q257 G258 L263 D264 Y289E172-R260 IonicContact OE1-CZ 2.72Å; E172-R260 IonicContact OE1-NH1 3.44Å; E172-R260 PolarHBondContact OE1-NH1 3.22Å; E172-R260 IonicContact OE1-NH2 3.79Å; E172-R260 PolarHBondContact OE1-NH2 3.49Å; E172-R260 VanDerWaalsContact OE1-NH2 3.11Å; V256-R260 PolarHBondContact O-N 3.35Å; Q257-R260 PolarHBondContact O-N 3.06Å; G258-R260 PolarHBondContact O-N 2.93Å; R260-L263 PolarHBondContact O-N 3.38Å; R260-D264 WeakPolarHBondContact O-CB 3.48Å; R260-D264 VanDerWaalsContact O-CG 3.31Å; R260-D264 PolarHBondContact O-N 3.34Å; R260-Y289 HydrophobicContact CG-CD1 4.27Å; R260-Y289 HydrophobicContact CG-CE1 3.49Å; R260-Y289 VanDerWaalsContact CG-CE1 3.49Å; R260-Y289 HydrophobicContact CG-CE2 4.05Å; R260-Y289 WeakPolarHBondContact CG-OH 3.47Å
261L98.1Very high95.9Very high28 Ų2849.7 Ų49.715%0.14724%0.235CC..Hα-helixtrans-62.4-45-179.5-66.9168.8000112.3Q257 G258 I259 Y265 M360 N363 F365Q257-L261 HydrophobicContact CG-CD1 4.3Å; Q257-L261 VanDerWaalsContact O-CG 3.28Å; Q257-L261 WeakPolarHBondContact O-CG 3.39Å; Q257-L261 PolarHBondContact O-N 3.07Å; G258-L261 PolarHBondContact O-N 3.47Å; I259-L261 VanDerWaalsContact C-N 3.33Å; I259-L261 PolarHBondContact O-N 3.49Å; L261-Y265 WeakPolarHBondContact O-CB 3.16Å; L261-Y265 PolarHBondContact O-N 3.5Å; L261-M360 HydrophobicContact CD1-SD 4.12Å; L261-N363 HydrophobicContact CD1-CB 4.12Å; L261-N363 HydrophobicContact CD2-CB 4.35Å; L261-N363 VanDerWaalsContact CD2-O 3.22Å; L261-N363 WeakPolarHBondContact CD2-O 3.24Å; L261-F365 HydrophobicContact CB-CB 3.88Å
262A98.4Very high96.2Very high0 Ų052.4 Ų52.40%024%0.244CC..Hα-helixtrans-64.5-44.4177.200000111.7I239 V244 G258 I259 Y265 F266 F365I239-A262 HydrophobicContact CD1-CB 4.13Å; V244-A262 HydrophobicContact CG1-CB 3.93Å; G258-A262 PolarHBondContact O-N 3.13Å; G258-A262 VanDerWaalsContact O-N 3.1Å; I259-A262 PolarHBondContact O-N 3.38Å; A262-Y265 WeakPolarHBondContact O-CB 3.5Å; A262-Y265 PolarHBondContact O-N 3.44Å; A262-F266 WeakPolarHBondContact O-CD2 3.41Å; A262-F266 PolarHBondContact O-N 2.79Å; A262-F365 HydrophobicContact CB-CD1 4.26Å; A262-F365 HydrophobicContact CB-CD2 4.1Å; A262-F365 HydrophobicContact CB-CE1 3.95Å; A262-F365 HydrophobicContact CB-CE2 3.77Å; A262-F365 HydrophobicContact CB-CG 4.32Å; A262-F365 HydrophobicContact CB-CZ 3.69Å
263L97.9Very high96.6Very high1 Ų147.4 Ų47.41%0.00523%0.226CC..Hα-helixtrans-62.8-45.5178.2-17364.3000111.7I259 R260 Y265 F266 K267 I274 I276 L293 M298I259-L263 WeakPolarHBondContact O-CB 3.47Å; I259-L263 PolarHBondContact O-N 3.08Å; R260-L263 PolarHBondContact O-N 3.38Å; L263-Y265 VanDerWaalsContact C-N 3.3Å; L263-Y265 PolarHBondContact O-N 3.22Å; L263-F266 PolarHBondContact O-N 3.26Å; L263-K267 HydrophobicContact CD1-CD 4.48Å; L263-K267 HydrophobicContact CG-CD 4.03Å; L263-K267 HydrophobicContact CG-CG 4.43Å; L263-K267 WeakPolarHBondContact O-CB 3.5Å; L263-K267 WeakPolarHBondContact O-CG 3.37Å; L263-K267 PolarHBondContact O-N 3.13Å; L263-I274 HydrophobicContact CD1-CB 4.21Å; L263-I274 HydrophobicContact CD1-CD1 3.94Å; L263-I274 HydrophobicContact CD1-CG2 3.79Å; L263-I276 HydrophobicContact CD1-CD1 4.23Å; L263-I276 HydrophobicContact CD2-CD1 4.47Å; L263-L293 HydrophobicContact CD2-CD1 4.4Å; L263-L293 HydrophobicContact CD2-CD2 3.52Å; L263-M298 HydrophobicContact CD1-SD 4.21Å; L263-M298 HydrophobicContact CD2-SD 4.44Å
264D97.7Very high97Very high73 Ų7345.8 Ų45.839%0.3922%0.219SC..Hα-helixtrans-61.7-38.1177.8-79.1-7.2000112R260 K267 K268R260-D264 WeakPolarHBondContact O-CB 3.48Å; R260-D264 VanDerWaalsContact O-CG 3.31Å; R260-D264 PolarHBondContact O-N 3.34Å; D264-K267 PolarHBondContact O-N 3.3Å; D264-K268 VanDerWaalsContact O-CB 3.31Å; D264-K268 WeakPolarHBondContact O-CB 3.29Å; D264-K268 WeakPolarHBondContact O-CG 3.2Å; D264-K268 PolarHBondContact O-N 3.24Å
265Y98.3Very high97.2Very high36 Ų3645 Ų4514%0.14122%0.216CC..Hα-helixtrans-56.8-52.1175.7179.1-86.1000111.3L261 A262 L263 K268 R269 F365 L367 L379L261-Y265 WeakPolarHBondContact O-CB 3.16Å; L261-Y265 PolarHBondContact O-N 3.5Å; A262-Y265 WeakPolarHBondContact O-CB 3.5Å; A262-Y265 PolarHBondContact O-N 3.44Å; L263-Y265 VanDerWaalsContact C-N 3.3Å; L263-Y265 PolarHBondContact O-N 3.22Å; Y265-K268 PolarHBondContact O-N 3.34Å; Y265-R269 VanDerWaalsContact CE1-CD 3.42Å; Y265-R269 WeakPolarHBondContact O-CG 3.41Å; Y265-R269 PolarHBondContact O-N 3.33Å; Y265-F365 HydrophobicContact CD1-CD1 4.41Å; Y265-F365 HydrophobicContact CD1-CE1 4.19Å; Y265-F365 HydrophobicContact CD2-CD1 4.14Å; Y265-F365 AromaticContact CG-CD1 3.84Å; Y265-F365 HydrophobicContact CG-CD1 3.84Å; Y265-F365 HydrophobicContact CG-CE1 4.08Å; Y265-L367 HydrophobicContact CD1-CD1 4.32Å; Y265-L367 HydrophobicContact CE1-CD1 4Å; Y265-L379 VanDerWaalsContact OH-CD2 3.31Å; Y265-L379 WeakPolarHBondContact OH-CD2 3.46Å
266F98.2Very high97.4Very high0 Ų044.4 Ų44.40%021%0.211CC..Hα-helixtrans-72.8-36-178.6-68.3-68.5000112.8I237 I239 A262 L263 R269 G270 H271 I274 I332 F365 L367 L383I237-F266 HydrophobicContact CD1-CD1 3.99Å; I237-F266 HydrophobicContact CD1-CE1 4Å; I237-F266 HydrophobicContact CG1-CD1 3.86Å; I237-F266 HydrophobicContact CG1-CE1 4.26Å; I237-F266 HydrophobicContact CG1-CG 4.15Å; I237-F266 HydrophobicContact CG2-CD1 4.31Å; I237-F266 HydrophobicContact CG2-CD2 4Å; I237-F266 HydrophobicContact CG2-CE1 4.21Å; I237-F266 HydrophobicContact CG2-CE2 3.91Å; I237-F266 HydrophobicContact CG2-CG 4.23Å; I237-F266 HydrophobicContact CG2-CZ 4.03Å; I239-F266 HydrophobicContact CD1-CD2 4.01Å; I239-F266 HydrophobicContact CD1-CE2 4.19Å; I239-F266 HydrophobicContact CG1-CE2 4.44Å; A262-F266 WeakPolarHBondContact O-CD2 3.41Å; A262-F266 PolarHBondContact O-N 2.79Å; L263-F266 PolarHBondContact O-N 3.26Å; F266-R269 PolarHBondContact O-N 3.42Å; F266-G270 PolarHBondContact O-N 3.06Å; F266-H271 HydrophobicContact CB-CB 4.15Å; F266-H271 WeakPolarHBondContact O-CB 3.32Å; F266-H271 PolarHBondContact O-N 3.46Å; F266-I274 HydrophobicContact CB-CD1 3.59Å; F266-I274 HydrophobicContact CB-CG1 4.21Å; F266-I332 HydrophobicContact CE1-CD1 4.24Å; F266-I332 HydrophobicContact CE2-CD1 4.3Å; F266-I332 HydrophobicContact CE2-CG1 3.8Å; F266-I332 HydrophobicContact CE2-CG2 4.37Å; F266-I332 HydrophobicContact CZ-CD1 3.54Å; F266-I332 HydrophobicContact CZ-CG1 3.56Å; F266-I332 HydrophobicContact CZ-CG2 4.38Å; F266-F365 HydrophobicContact CE2-CE1 4.16Å; F266-F365 HydrophobicContact CE2-CZ 4.48Å; F266-L367 HydrophobicContact CE1-CD2 4.26Å; F266-L367 HydrophobicContact CZ-CD1 4.11Å; F266-L367 HydrophobicContact CZ-CD2 3.96Å; F266-L383 HydrophobicContact CE1-CD1 4.38Å; F266-L383 HydrophobicContact CE1-CD2 4.16Å
267K97Very high97.4Very high93 Ų9343.4 Ų43.440%0.40421%0.205SC..Hα-helixtrans-61.2-43.5173.7-77.9-178.1175.5176.70111.8L263 D264 R269 G270 I274L263-K267 HydrophobicContact CD1-CD 4.48Å; L263-K267 HydrophobicContact CG-CD 4.03Å; L263-K267 HydrophobicContact CG-CG 4.43Å; L263-K267 WeakPolarHBondContact O-CB 3.5Å; L263-K267 WeakPolarHBondContact O-CG 3.37Å; L263-K267 PolarHBondContact O-N 3.13Å; D264-K267 PolarHBondContact O-N 3.3Å; K267-R269 PolarHBondContact O-N 3Å; K267-G270 WeakPolarHBondContact O-CA 3.44Å; K267-G270 PolarHBondContact O-N 2.96Å; K267-I274 HydrophobicContact CG-CD1 4.1Å
268K96.9Very high97.3Very high175 Ų17541.3 Ų41.376%0.76120%0.196SC*.Hα-helixtrans-62.6-27.6176-75.6170.5-177.5170.80113D264 Y265 G270D264-K268 VanDerWaalsContact O-CB 3.31Å; D264-K268 WeakPolarHBondContact O-CB 3.29Å; D264-K268 WeakPolarHBondContact O-CG 3.2Å; D264-K268 PolarHBondContact O-N 3.24Å; Y265-K268 PolarHBondContact O-N 3.34Å; K268-G270 VanDerWaalsContact C-N 3.28Å
269R95.7Very high97.1Very high88 Ų8841.4 Ų41.433%0.33220%0.196SC..THydrogen-bonded Turntrans-82.3-0.9172.5-66.8178.469.590.63.8113.8Y265 F266 K267Y265-R269 VanDerWaalsContact CE1-CD 3.42Å; Y265-R269 WeakPolarHBondContact O-CG 3.41Å; Y265-R269 PolarHBondContact O-N 3.33Å; F266-R269 PolarHBondContact O-N 3.42Å; K267-R269 PolarHBondContact O-N 3Å
270G96.4Very high96.7Very high41 Ų4146.8 Ų46.842%0.42322%0.216SC..THydrogen-bonded Turntrans887.9177.100000115.3L234 F266 K267 K268 K272L234-G270 VanDerWaalsContact CD1-C 3.4Å; L234-G270 WeakPolarHBondContact CD1-O 3.3Å; F266-G270 PolarHBondContact O-N 3.06Å; K267-G270 WeakPolarHBondContact O-CA 3.44Å; K267-G270 PolarHBondContact O-N 2.96Å; K268-G270 VanDerWaalsContact C-N 3.28Å; G270-K272 PolarHBondContact O-N 2.72Å
271H97.1Very high96.1Very high9 Ų946.9 Ų46.94%0.04222%0.219CC..  trans-67.1134.1175.9-71.2-101000110.6R235 I237 F266 I274R235-H271 PolarHBondContact O-CE1 3.43Å; R235-H271 PolarHBondContact O-ND1 3.17Å; I237-H271 HydrophobicContact CG1-CB 4.41Å; I237-H271 WeakPolarHBondContact CG1-ND1 3.25Å; F266-H271 HydrophobicContact CB-CB 4.15Å; F266-H271 WeakPolarHBondContact O-CB 3.32Å; F266-H271 PolarHBondContact O-N 3.46Å; H271-I274 HydrophobicContact CB-CD1 3.92Å; H271-I274 HydrophobicContact CB-CG1 3.91Å
272K95Very high95.8Very high191 Ų19147.6 Ų47.683%0.8322%0.22SC*.  trans-111.9-23.8179.1-61.3-176.3179.8-178.20113.4G270G270-K272 PolarHBondContact O-N 2.72Å
273D97.1Very high95.3Very high71 Ų7149.5 Ų49.538%0.3823%0.229SC..  trans-106.291178.7-171.8-0.9000108.4P236 I237P236-D273 WeakPolarHBondContact CA-O 3.47Å; P236-D273 HydrophobicContact CB-CB 4.17Å; P236-D273 WeakPolarHBondContact CB-OD2 3.47Å; P236-D273 HydrophobicContact CG-CB 4.36Å; P236-D273 VanDerWaalsContact CG-OD2 3.31Å; P236-D273 WeakPolarHBondContact CG-OD2 3.49Å; I237-D273 PolarHBondContact N-O 2.85Å
274I98.3Very high94.7Very high4 Ų452.9 Ų52.92%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-129.9125.9-178.9-54.6162.8000106.4I237 I239 L263 F266 K267 H271 M298I237-I274 HydrophobicContact CB-CB 4.48Å; I237-I274 HydrophobicContact CB-CG1 4.25Å; I237-I274 HydrophobicContact CB-CG2 4.21Å; I237-I274 HydrophobicContact CG1-CG1 4.31Å; I237-I274 HydrophobicContact CG2-CG2 4.44Å; I237-I274 CarbonylContact O-C 3.55Å; I237-I274 WeakPolarHBondContact O-CA 3.32Å; I239-I274 HydrophobicContact CD1-CG2 3.76Å; I239-I274 HydrophobicContact CG1-CG2 4.3Å; L263-I274 HydrophobicContact CD1-CB 4.21Å; L263-I274 HydrophobicContact CD1-CD1 3.94Å; L263-I274 HydrophobicContact CD1-CG2 3.79Å; F266-I274 HydrophobicContact CB-CD1 3.59Å; F266-I274 HydrophobicContact CB-CG1 4.21Å; K267-I274 HydrophobicContact CG-CD1 4.1Å; H271-I274 HydrophobicContact CB-CD1 3.92Å; H271-I274 HydrophobicContact CB-CG1 3.91Å; I274-M298 WeakPolarHBondContact O-CA 3.45Å
275V98.2Very high94.3Very high4 Ų455.2 Ų55.22%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-125123.8174.4-178.90000109.9I237 I238 I239 V277 M298 L323I237-V275 PolarHBondContact O-N 3.04Å; I238-V275 CarbonylContact C-O 3.58Å; I238-V275 VanDerWaalsContact CA-O 3.31Å; I238-V275 WeakPolarHBondContact CA-O 3.46Å; I238-V275 HydrophobicContact CD1-CB 3.78Å; I238-V275 HydrophobicContact CD1-CG2 4.39Å; I239-V275 PolarHBondContact N-O 3.38Å; V275-V277 HydrophobicContact CG1-CG2 4.35Å; V275-M298 CarbonylContact C-O 3.41Å; V275-M298 WeakPolarHBondContact CA-O 3.33Å; V275-L323 HydrophobicContact CG1-CD2 3.99Å
276I98.4Very high93.7Very high0 Ų054 Ų540%027%0.269CS..EExtended strand (participates in β ladder)trans-94.2124.6173.4-62.6148000107.6I239 I259 L263 I278 L293 M298 L299 T300I239-I276 HydrophobicContact CB-CG1 4.06Å; I239-I276 HydrophobicContact CD1-CG1 4Å; I239-I276 HydrophobicContact CG1-CG1 4.46Å; I259-I276 HydrophobicContact CD1-CG2 3.91Å; I259-I276 HydrophobicContact CG2-CD1 3.52Å; I259-I276 HydrophobicContact CG2-CG1 4.28Å; I259-I276 HydrophobicContact CG2-CG2 4.28Å; L263-I276 HydrophobicContact CD1-CD1 4.23Å; L263-I276 HydrophobicContact CD2-CD1 4.47Å; I276-I278 HydrophobicContact CG2-CG2 4.06Å; I276-L293 HydrophobicContact CD1-CD1 3.98Å; I276-M298 PolarHBondContact N-O 2.59Å; I276-L299 CarbonylContact O-C 3.51Å; I276-L299 WeakPolarHBondContact O-CA 3.48Å; I276-T300 PolarHBondContact O-N 3.44Å
277V97.5Very high93.2Very high1 Ų155.7 Ų55.71%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-104.4124.9177.9-177.90000108.6I238 I239 G241 V275 T300 T302 I320 L323I238-V277 HydrophobicContact CG2-CG2 3.92Å; I239-V277 PolarHBondContact O-N 2.95Å; G241-V277 WeakPolarHBondContact CA-O 3.4Å; G241-V277 PolarHBondContact N-O 2.99Å; V275-V277 HydrophobicContact CG1-CG2 4.35Å; V277-T300 WeakPolarHBondContact CA-O 3.49Å; V277-T302 HydrophobicContact CG1-CG2 3.3Å; V277-I320 HydrophobicContact CB-CD1 4.37Å; V277-I320 HydrophobicContact CB-CG1 3.71Å; V277-I320 HydrophobicContact CG1-CD1 4.36Å; V277-I320 HydrophobicContact CG1-CG1 3.69Å; V277-I320 HydrophobicContact CG2-CG1 4.14Å; V277-L323 HydrophobicContact CG2-CD2 3.96Å
278I94.6Very high92.6Very high0 Ų058.1 Ų58.10%029%0.293CS..EExtended strand (participates in β ladder)trans-139.2146.6177.254.6167.5000111.6F254 I276 F290 L299 T300 Y301 T302F254-I278 HydrophobicContact CE2-CG2 4.37Å; F254-I278 HydrophobicContact CZ-CG2 4.11Å; I276-I278 HydrophobicContact CG2-CG2 4.06Å; I278-F290 HydrophobicContact CD1-CD2 3.64Å; I278-F290 HydrophobicContact CD1-CE2 3.36Å; I278-F290 HydrophobicContact CD1-CG 4.47Å; I278-F290 HydrophobicContact CD1-CZ 3.99Å; I278-L299 HydrophobicContact CD1-CD1 3.73Å; I278-L299 HydrophobicContact CD1-CD2 4.02Å; I278-L299 HydrophobicContact CD1-CG 4.14Å; I278-L299 HydrophobicContact CG1-CD1 4.24Å; I278-L299 HydrophobicContact CG1-CD2 4.02Å; I278-L299 HydrophobicContact CG1-CG 4.13Å; I278-T300 PolarHBondContact N-O 2.73Å; I278-T300 VanDerWaalsContact N-O 3.13Å; I278-Y301 HydrophobicContact CD1-CD1 3.92Å; I278-Y301 HydrophobicContact CD1-CE1 3.37Å; I278-Y301 HydrophobicContact CG1-CD1 3.68Å; I278-Y301 HydrophobicContact CG1-CE1 3.7Å; I278-Y301 CarbonylContact O-C 3.52Å; I278-Y301 WeakPolarHBondContact O-CA 3.33Å; I278-T302 PolarHBondContact O-N 3.44Å
279P92.1Very high92.4Very high2 Ų251.7 Ų51.71%0.01327%0.265CS..EExtended strand (participates in β ladder)trans-58.5136.9169.2-27.134.8000113.3S242 H281 Y282 T302 T313 D316S242-P279 WeakPolarHBondContact OG-CD 3.22Å; P279-H281 WeakPolarHBondContact CB-CE1 3.25Å; P279-H281 WeakPolarHBondContact CB-ND1 3.24Å; P279-H281 PolarHBondContact O-N 3.31Å; P279-H281 VanDerWaalsContact O-N 3.09Å; P279-Y282 HydrophobicContact CB-CD2 3.98Å; P279-Y282 HydrophobicContact CB-CE2 4.3Å; P279-Y282 HydrophobicContact CG-CD2 4.1Å; P279-Y282 HydrophobicContact CG-CE2 4.14Å; P279-Y282 PolarHBondContact O-N 2.95Å; P279-T302 VanDerWaalsContact CA-OG1 3.3Å; P279-T302 WeakPolarHBondContact CA-OG1 3.37Å; P279-T313 HydrophobicContact CB-CG2 4.26Å; P279-D316 HydrophobicContact CG-CB 4.33Å; P279-D316 VanDerWaalsContact CG-OD2 3.3Å; P279-D316 WeakPolarHBondContact CG-OD2 3.09Å
280R89.9Confident92.4Very high113 Ų11347.5 Ų47.543%0.42625%0.249SC..G310 helixtrans-54.6-31.6-178.8179.2164.2-93.1179.9-6113.9Y282 Q283 Y301 T302 S304R280-Y282 PolarHBondContact O-N 2.99Å; R280-Y282 VanDerWaalsContact O-N 3.09Å; R280-Q283 WeakPolarHBondContact O-CB 3.45Å; R280-Q283 PolarHBondContact O-N 3.17Å; R280-Y301 HydrophobicContact CB-CD1 4.35Å; R280-Y301 HydrophobicContact CB-CG 4.39Å; R280-T302 WeakPolarHBondContact CB-O 3.42Å; R280-T302 PolarHBondContact N-O 3.27Å; R280-S304 WeakPolarHBondContact CB-OG 3.42Å
281H86.5Confident92.1Very high54 Ų5448.7 Ų48.725%0.2525%0.245CC..G310 helixtrans-64.4-11.8177.265.9-102000114.9P279 S304 R311P279-H281 WeakPolarHBondContact CB-CE1 3.25Å; P279-H281 WeakPolarHBondContact CB-ND1 3.24Å; P279-H281 PolarHBondContact O-N 3.31Å; P279-H281 VanDerWaalsContact O-N 3.09Å; H281-S304 PolarHBondContact N-OG 3.4Å; H281-S304 VanDerWaalsContact N-OG 3.12Å; H281-R311 PolarHBondContact CD2-NH1 2.54Å; H281-R311 VanDerWaalsContact CG-NH1 3.32Å; H281-R311 PolarHBondContact NE2-NH1 3.2Å; H281-R311 VanDerWaalsContact NE2-NH1 3.13Å
282Y90.2Very high91.9Very high43 Ų4352.4 Ų52.417%0.16926%0.263CS..G310 helixtrans-91.9-1.6170.8-66.5-61.9000113.9F246 F254 P279 R280 G284 K285F246-Y282 HydrophobicContact CE2-CE2 4.46Å; F246-Y282 AromaticContact CE2-CZ 3.96Å; F246-Y282 WeakPolarHBondContact CE2-OH 3.37Å; F246-Y282 HydrophobicContact CZ-CE1 4.36Å; F246-Y282 AromaticContact CZ-CZ 3.98Å; F246-Y282 VanDerWaalsContact CZ-OH 3.3Å; F246-Y282 WeakPolarHBondContact CZ-OH 3.46Å; F254-Y282 HydrophobicContact CB-CD1 4.05Å; F254-Y282 HydrophobicContact CB-CE1 3.93Å; F254-Y282 HydrophobicContact CD1-CD1 4.34Å; F254-Y282 AromaticContact CD2-CD1 3.67Å; F254-Y282 HydrophobicContact CD2-CD1 3.67Å; F254-Y282 AromaticContact CD2-CD2 3.87Å; F254-Y282 HydrophobicContact CD2-CD2 3.87Å; F254-Y282 AromaticContact CD2-CE1 3.82Å; F254-Y282 HydrophobicContact CD2-CE1 3.82Å; F254-Y282 AromaticContact CD2-CE2 3.99Å; F254-Y282 HydrophobicContact CD2-CE2 3.99Å; F254-Y282 AromaticContact CD2-CG 3.71Å; F254-Y282 HydrophobicContact CD2-CG 3.71Å; F254-Y282 AromaticContact CD2-CZ 4Å; F254-Y282 HydrophobicContact CE2-CD1 4.19Å; F254-Y282 AromaticContact CE2-CD2 3.77Å; F254-Y282 HydrophobicContact CE2-CD2 3.77Å; F254-Y282 HydrophobicContact CE2-CE2 4.24Å; F254-Y282 AromaticContact CE2-CG 3.74Å; F254-Y282 HydrophobicContact CE2-CG 3.74Å; F254-Y282 AromaticContact CG-CD1 3.76Å; F254-Y282 HydrophobicContact CG-CD1 3.76Å; F254-Y282 HydrophobicContact CG-CE1 4.03Å; F254-Y282 HydrophobicContact CG-CG 4.16Å; F254-Y282 HydrophobicContact CZ-CG 4.23Å; P279-Y282 HydrophobicContact CB-CD2 3.98Å; P279-Y282 HydrophobicContact CB-CE2 4.3Å; P279-Y282 HydrophobicContact CG-CD2 4.1Å; P279-Y282 HydrophobicContact CG-CE2 4.14Å; P279-Y282 PolarHBondContact O-N 2.95Å; R280-Y282 PolarHBondContact O-N 2.99Å; R280-Y282 VanDerWaalsContact O-N 3.09Å; Y282-G284 VanDerWaalsContact C-N 3.27Å; Y282-G284 PolarHBondContact O-N 3.43Å; Y282-K285 HydrophobicContact CD1-CG 4.13Å; Y282-K285 VanDerWaalsContact O-CB 3.28Å; Y282-K285 WeakPolarHBondContact O-CB 3.4Å; Y282-K285 PolarHBondContact O-N 3.37Å
283Q87.9Confident92Very high40 Ų4043.7 Ų43.719%0.18723%0.225CC..Hα-helixtrans-49.8-47.4179.1174.3164.41700112.3R280 K285 G286 Y301R280-Q283 WeakPolarHBondContact O-CB 3.45Å; R280-Q283 PolarHBondContact O-N 3.17Å; Q283-K285 PolarHBondContact O-N 3.28Å; Q283-K285 VanDerWaalsContact O-N 3.08Å; Q283-G286 PolarHBondContact O-N 2.91Å; Q283-Y301 HydrophobicContact CB-CD1 4.44Å; Q283-Y301 HydrophobicContact CB-CE1 3.61Å; Q283-Y301 HydrophobicContact CB-CE2 4.49Å; Q283-Y301 HydrophobicContact CG-CE1 4.21Å; Q283-Y301 HydrophobicContact CG-CE2 4.28Å; Q283-Y301 WeakPolarHBondContact CG-OH 3.39Å
284G86.3Confident91.9Very high73 Ų7342.9 Ų42.975%0.75322%0.219SC*.Hα-helixtrans-65.4-10.3179.100000115.4Y282Y282-G284 VanDerWaalsContact C-N 3.27Å; Y282-G284 PolarHBondContact O-N 3.43Å
285K89.5Confident91.7Very high122 Ų12246.8 Ų46.853%0.5324%0.237SC..Hα-helixtrans-79.2-32.6177.2-64.9-65.8-173.2174.40112.9F254 V256 Y282 Q283F254-K285 HydrophobicContact CD1-CB 4.02Å; F254-K285 HydrophobicContact CD1-CG 4.27Å; F254-K285 HydrophobicContact CE1-CB 4.32Å; V256-K285 HydrophobicContact CG2-CB 4.45Å; V256-K285 VanDerWaalsContact CG2-O 3.28Å; V256-K285 WeakPolarHBondContact CG2-O 3.39Å; Y282-K285 HydrophobicContact CD1-CG 4.13Å; Y282-K285 VanDerWaalsContact O-CB 3.28Å; Y282-K285 WeakPolarHBondContact O-CB 3.4Å; Y282-K285 PolarHBondContact O-N 3.37Å; Q283-K285 PolarHBondContact O-N 3.28Å; Q283-K285 VanDerWaalsContact O-N 3.08Å
286G85.6Confident91.5Very high10 Ų1049.8 Ų49.810%0.10326%0.258CS..Hα-helixtrans-93.9-13.2-176.400000115.5Q283 R288 Y289 F290Q283-G286 PolarHBondContact O-N 2.91Å; G286-R288 PolarHBondContact O-N 3.31Å; G286-Y289 WeakPolarHBondContact O-CB 3.38Å; G286-Y289 PolarHBondContact O-N 3.48Å; G286-Y289 VanDerWaalsContact O-N 3.17Å; G286-F290 PolarHBondContact O-N 3Å
287G87.2Confident91.3Very high36 Ų3651.9 Ų51.937%0.37128%0.28SS..Hα-helixtrans48.1-139-176.900000112.2Y289 F290 D291G287-Y289 PolarHBondContact O-N 3.42Å; G287-Y289 VanDerWaalsContact O-N 3.09Å; G287-F290 PolarHBondContact O-N 2.9Å; G287-D291 PolarHBondContact O-N 2.95Å
288R83.9Confident91.3Very high143 Ų14353.8 Ų53.854%0.5429%0.289SS..Hα-helixtrans-52.9-34.3179.5-179.5179.5162-158.4-7.8113.7G286 F290 D291 E292G286-R288 PolarHBondContact O-N 3.31Å; R288-F290 VanDerWaalsContact C-N 3.3Å; R288-F290 PolarHBondContact O-N 3.46Å; R288-D291 PolarHBondContact O-N 2.92Å; R288-E292 HydrophobicContact CG-CG 4.29Å; R288-E292 IonicContact CZ-OE1 3.33Å; R288-E292 IonicContact NE-OE1 2.72Å; R288-E292 PolarHBondContact NE-OE1 3.42Å; R288-E292 IonicContact NH2-OE1 2.59Å; R288-E292 PolarHBondContact NH2-OE1 3.15Å; R288-E292 WeakPolarHBondContact O-CG 3.48Å; R288-E292 PolarHBondContact O-N 3.08Å
289Y92.8Very high91.4Very high41 Ų4154 Ų5416%0.16129%0.29CS..Hα-helixtrans-62.7-39.6179.9179.2-111.1000111.4V256 I259 R260 G286 G287 L293V256-Y289 HydrophobicContact CG1-CD1 3.56Å; V256-Y289 HydrophobicContact CG1-CE1 4.06Å; I259-Y289 HydrophobicContact CG2-CE1 4.33Å; R260-Y289 HydrophobicContact CG-CD1 4.27Å; R260-Y289 HydrophobicContact CG-CE1 3.49Å; R260-Y289 VanDerWaalsContact CG-CE1 3.49Å; R260-Y289 HydrophobicContact CG-CE2 4.05Å; R260-Y289 WeakPolarHBondContact CG-OH 3.47Å; G286-Y289 WeakPolarHBondContact O-CB 3.38Å; G286-Y289 PolarHBondContact O-N 3.48Å; G286-Y289 VanDerWaalsContact O-N 3.17Å; G287-Y289 PolarHBondContact O-N 3.42Å; G287-Y289 VanDerWaalsContact O-N 3.09Å; Y289-L293 HydrophobicContact CD1-CD1 4.17Å; Y289-L293 HydrophobicContact CE1-CD1 3.55Å; Y289-L293 HydrophobicContact CE1-CG 4.36Å; Y289-L293 HydrophobicContact CE2-CD1 4.33Å; Y289-L293 HydrophobicContact CE2-CG 4.36Å; Y289-L293 WeakPolarHBondContact O-CG 3.17Å; Y289-L293 PolarHBondContact O-N 3.17Å
290F95.8Very high91.6Very high0 Ų056.7 Ų56.70%031%0.307CS..Hα-helixtrans-74-34.2175-76.83.7000112.6F254 V256 I259 I278 G286 G287 R288 E292 L293 E294 L299 Y301F254-F290 AromaticContact CE1-CE2 3.98Å; F254-F290 HydrophobicContact CE1-CE2 3.98Å; F254-F290 AromaticContact CE1-CZ 3.76Å; F254-F290 HydrophobicContact CE1-CZ 3.76Å; F254-F290 HydrophobicContact CZ-CE2 4.25Å; F254-F290 HydrophobicContact CZ-CZ 4.07Å; V256-F290 HydrophobicContact CG1-CE1 3.89Å; V256-F290 HydrophobicContact CG1-CZ 4.4Å; V256-F290 HydrophobicContact CG2-CE1 4.4Å; V256-F290 HydrophobicContact CG2-CZ 4.12Å; I259-F290 HydrophobicContact CG1-CE1 4.44Å; I259-F290 HydrophobicContact CG1-CZ 4.42Å; I278-F290 HydrophobicContact CD1-CD2 3.64Å; I278-F290 HydrophobicContact CD1-CE2 3.36Å; I278-F290 HydrophobicContact CD1-CG 4.47Å; I278-F290 HydrophobicContact CD1-CZ 3.99Å; G286-F290 PolarHBondContact O-N 3Å; G287-F290 PolarHBondContact O-N 2.9Å; R288-F290 VanDerWaalsContact C-N 3.3Å; R288-F290 PolarHBondContact O-N 3.46Å; F290-E292 VanDerWaalsContact C-N 3.32Å; F290-E292 PolarHBondContact O-N 3Å; F290-L293 HydrophobicContact CD1-CD1 4.41Å; F290-L293 PolarHBondContact O-N 3.46Å; F290-E294 WeakPolarHBondContact O-CB 3.17Å; F290-E294 PolarHBondContact O-N 3.16Å; F290-L299 HydrophobicContact CB-CD1 4.09Å; F290-L299 HydrophobicContact CD1-CD1 3.68Å; F290-L299 HydrophobicContact CD2-CD1 4.19Å; F290-L299 HydrophobicContact CE1-CD1 4.09Å; F290-L299 HydrophobicContact CG-CD1 3.72Å; F290-Y301 WeakPolarHBondContact CB-OH 3.23Å
291D90.5Very high91.8Very high65 Ų6552.3 Ų52.335%0.34829%0.291SS..Hα-helixtrans-61.4-42.5174.5-59.6-30000111G287 R288 E294 H295G287-D291 PolarHBondContact O-N 2.95Å; R288-D291 PolarHBondContact O-N 2.92Å; D291-E294 PolarHBondContact O-N 3.43Å; D291-H295 WeakPolarHBondContact O-CB 3.5Å; D291-H295 PolarHBondContact O-N 2.83Å
292E93.4Very high92Very high88 Ų8849.8 Ų49.841%0.41128%0.279SS..Hα-helixtrans-64-40.6175.2-73176177.800112.7R288 F290 S296R288-E292 HydrophobicContact CG-CG 4.29Å; R288-E292 IonicContact CZ-OE1 3.33Å; R288-E292 IonicContact NE-OE1 2.72Å; R288-E292 PolarHBondContact NE-OE1 3.42Å; R288-E292 IonicContact NH2-OE1 2.59Å; R288-E292 PolarHBondContact NH2-OE1 3.15Å; R288-E292 WeakPolarHBondContact O-CG 3.48Å; R288-E292 PolarHBondContact O-N 3.08Å; F290-E292 VanDerWaalsContact C-N 3.32Å; F290-E292 PolarHBondContact O-N 3Å; E292-S296 WeakPolarHBondContact O-CB 3.36Å; E292-S296 PolarHBondContact O-N 2.82Å; E292-S296 PolarHBondContact O-OG 3.19Å
293L96.7Very high91.8Very high8 Ų851.5 Ų51.54%0.04230%0.295CS..Hα-helixtrans-70.1-40.8176.8-67.9-178.7000112.4I259 L263 I276 Y289 F290 H295 S296 G297 M298 L299I259-L293 HydrophobicContact CG2-CD1 4.27Å; L263-L293 HydrophobicContact CD2-CD1 4.4Å; L263-L293 HydrophobicContact CD2-CD2 3.52Å; I276-L293 HydrophobicContact CD1-CD1 3.98Å; Y289-L293 HydrophobicContact CD1-CD1 4.17Å; Y289-L293 HydrophobicContact CE1-CD1 3.55Å; Y289-L293 HydrophobicContact CE1-CG 4.36Å; Y289-L293 HydrophobicContact CE2-CD1 4.33Å; Y289-L293 HydrophobicContact CE2-CG 4.36Å; Y289-L293 WeakPolarHBondContact O-CG 3.17Å; Y289-L293 PolarHBondContact O-N 3.17Å; F290-L293 HydrophobicContact CD1-CD1 4.41Å; F290-L293 PolarHBondContact O-N 3.46Å; L293-H295 VanDerWaalsContact C-N 3.35Å; L293-S296 WeakPolarHBondContact CA-OG 3.29Å; L293-S296 PolarHBondContact O-N 2.59Å; L293-S296 PolarHBondContact O-OG 3.24Å; L293-S296 VanDerWaalsContact O-OG 3.12Å; L293-G297 PolarHBondContact O-N 2.95Å; L293-M298 HydrophobicContact CB-CB 4.46Å; L293-M298 HydrophobicContact CD2-CB 4.09Å; L293-M298 HydrophobicContact CD2-SD 4.33Å; L293-M298 PolarHBondContact O-N 2.99Å; L293-L299 HydrophobicContact CB-CB 3.57Å; L293-L299 HydrophobicContact CB-CD1 4.16Å; L293-L299 HydrophobicContact CD1-CD1 4.16Å; L293-L299 PolarHBondContact O-N 3.24Å; L293-L299 VanDerWaalsContact O-N 3.08Å
294E95.5Very high91.3Very high54 Ų5450.9 Ų50.925%0.25230%0.295SS..Hα-helixtrans-62.4-47175-178178.8-144.700109.5F290 D291 S296 G297 L299 Y301F290-E294 WeakPolarHBondContact O-CB 3.17Å; F290-E294 PolarHBondContact O-N 3.16Å; D291-E294 PolarHBondContact O-N 3.43Å; E294-S296 VanDerWaalsContact C-N 3.33Å; E294-S296 PolarHBondContact O-N 3.22Å; E294-G297 PolarHBondContact O-N 3.01Å; E294-L299 HydrophobicContact CB-CD2 4.29Å; E294-Y301 HydrophobicContact CB-CE2 4.38Å; E294-Y301 HydrophobicContact CG-CE2 4.27Å; E294-Y301 VanDerWaalsContact OE1-CD2 3.29Å; E294-Y301 WeakPolarHBondContact OE1-CD2 3.33Å; E294-Y301 WeakPolarHBondContact OE1-CE2 3.29Å
295H92.8Very high90.5Very high86 Ų8654.5 Ų54.540%0.39829%0.286SS..Hα-helixtrans-61.6-39-179.6-171.574.7000113.1D43 D291 L293 G297D43-H295 WeakPolarHBondContact CA-CE1 3.3Å; D43-H295 WeakPolarHBondContact CA-NE2 3.13Å; D43-H295 WeakPolarHBondContact CB-NE2 3.43Å; D43-H295 PolarHBondContact O-CE1 2.91Å; D43-H295 PolarHBondContact O-NE2 3.03Å; D291-H295 WeakPolarHBondContact O-CB 3.5Å; D291-H295 PolarHBondContact O-N 2.83Å; L293-H295 VanDerWaalsContact C-N 3.35Å; H295-G297 PolarHBondContact O-N 3.12Å
296S94.7Very high89.7Confident67 Ų6752.8 Ų52.847%0.46929%0.286SS..THydrogen-bonded Turntrans-78.3-1.417557.90000114.1E292 L293 E294 M298E292-S296 WeakPolarHBondContact O-CB 3.36Å; E292-S296 PolarHBondContact O-N 2.82Å; E292-S296 PolarHBondContact O-OG 3.19Å; L293-S296 WeakPolarHBondContact CA-OG 3.29Å; L293-S296 PolarHBondContact O-N 2.59Å; L293-S296 PolarHBondContact O-OG 3.24Å; L293-S296 VanDerWaalsContact O-OG 3.12Å; E294-S296 VanDerWaalsContact C-N 3.33Å; E294-S296 PolarHBondContact O-N 3.22Å; S296-M298 PolarHBondContact O-N 3.4Å
297G94.7Very high88.9Confident44 Ų4455.7 Ų55.745%0.45430%0.299SS..THydrogen-bonded Turntrans74.79-177.400000114.6L293 E294 H295L293-G297 PolarHBondContact O-N 2.95Å; E294-G297 PolarHBondContact O-N 3.01Å; H295-G297 PolarHBondContact O-N 3.12Å
298M96.8Very high88Confident41 Ų4160.8 Ų60.820%0.20232%0.317CS..SBendtrans-84.1-13.1178.6-67.8-171.2-178.200113.5L263 I274 V275 I276 L293 S296L263-M298 HydrophobicContact CD1-SD 4.21Å; L263-M298 HydrophobicContact CD2-SD 4.44Å; I274-M298 WeakPolarHBondContact O-CA 3.45Å; V275-M298 CarbonylContact C-O 3.41Å; V275-M298 WeakPolarHBondContact CA-O 3.33Å; I276-M298 PolarHBondContact N-O 2.59Å; L293-M298 HydrophobicContact CB-CB 4.46Å; L293-M298 HydrophobicContact CD2-CB 4.09Å; L293-M298 HydrophobicContact CD2-SD 4.33Å; L293-M298 PolarHBondContact O-N 2.99Å; S296-M298 PolarHBondContact O-N 3.4Å
299L97.3Very high87Confident3 Ų363.1 Ų63.12%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-127.7138.9176.4-176.7152.6000109.8I276 I278 F290 L293 E294 Y301I276-L299 CarbonylContact O-C 3.51Å; I276-L299 WeakPolarHBondContact O-CA 3.48Å; I278-L299 HydrophobicContact CD1-CD1 3.73Å; I278-L299 HydrophobicContact CD1-CD2 4.02Å; I278-L299 HydrophobicContact CD1-CG 4.14Å; I278-L299 HydrophobicContact CG1-CD1 4.24Å; I278-L299 HydrophobicContact CG1-CD2 4.02Å; I278-L299 HydrophobicContact CG1-CG 4.13Å; F290-L299 HydrophobicContact CB-CD1 4.09Å; F290-L299 HydrophobicContact CD1-CD1 3.68Å; F290-L299 HydrophobicContact CD2-CD1 4.19Å; F290-L299 HydrophobicContact CE1-CD1 4.09Å; F290-L299 HydrophobicContact CG-CD1 3.72Å; L293-L299 HydrophobicContact CB-CB 3.57Å; L293-L299 HydrophobicContact CB-CD1 4.16Å; L293-L299 HydrophobicContact CD1-CD1 4.16Å; L293-L299 PolarHBondContact O-N 3.24Å; L293-L299 VanDerWaalsContact O-N 3.08Å; E294-L299 HydrophobicContact CB-CD2 4.29Å; L299-Y301 HydrophobicContact CD2-CD1 4.13Å; L299-Y301 HydrophobicContact CD2-CD2 3.92Å; L299-Y301 HydrophobicContact CD2-CE1 3.77Å; L299-Y301 HydrophobicContact CD2-CE2 3.52Å; L299-Y301 HydrophobicContact CD2-CG 4.21Å; L299-Y301 VanDerWaalsContact CD2-CZ 3.43Å
300T95.4Very high85.4Confident59 Ų5967.7 Ų67.736%0.36236%0.357SS..EExtended strand (participates in β ladder)trans-133.5130.3177.2-63.20000109.4I276 V277 I278I276-T300 PolarHBondContact O-N 3.44Å; V277-T300 WeakPolarHBondContact CA-O 3.49Å; I278-T300 PolarHBondContact N-O 2.73Å; I278-T300 VanDerWaalsContact N-O 3.13Å
301Y94Very high84.1Confident22 Ų2274.5 Ų74.59%0.08638%0.383CS..EExtended strand (participates in β ladder)trans-85.9132.1176.8-67.1-71.4000112I278 R280 Q283 F290 E294 L299I278-Y301 HydrophobicContact CD1-CD1 3.92Å; I278-Y301 HydrophobicContact CD1-CE1 3.37Å; I278-Y301 HydrophobicContact CG1-CD1 3.68Å; I278-Y301 HydrophobicContact CG1-CE1 3.7Å; I278-Y301 CarbonylContact O-C 3.52Å; I278-Y301 WeakPolarHBondContact O-CA 3.33Å; R280-Y301 HydrophobicContact CB-CD1 4.35Å; R280-Y301 HydrophobicContact CB-CG 4.39Å; Q283-Y301 HydrophobicContact CB-CD1 4.44Å; Q283-Y301 HydrophobicContact CB-CE1 3.61Å; Q283-Y301 HydrophobicContact CB-CE2 4.49Å; Q283-Y301 HydrophobicContact CG-CE1 4.21Å; Q283-Y301 HydrophobicContact CG-CE2 4.28Å; Q283-Y301 WeakPolarHBondContact CG-OH 3.39Å; F290-Y301 WeakPolarHBondContact CB-OH 3.23Å; E294-Y301 HydrophobicContact CB-CE2 4.38Å; E294-Y301 HydrophobicContact CG-CE2 4.27Å; E294-Y301 VanDerWaalsContact OE1-CD2 3.29Å; E294-Y301 WeakPolarHBondContact OE1-CD2 3.33Å; E294-Y301 WeakPolarHBondContact OE1-CE2 3.29Å; L299-Y301 HydrophobicContact CD2-CD1 4.13Å; L299-Y301 HydrophobicContact CD2-CD2 3.92Å; L299-Y301 HydrophobicContact CD2-CE1 3.77Å; L299-Y301 HydrophobicContact CD2-CE2 3.52Å; L299-Y301 HydrophobicContact CD2-CG 4.21Å; L299-Y301 VanDerWaalsContact CD2-CZ 3.43Å
302T91.4Very high82.8Confident1 Ų175.2 Ų75.21%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-79144.3164.466.40000109.8V277 I278 P279 R280 S304 D316 I319V277-T302 HydrophobicContact CG1-CG2 3.3Å; I278-T302 PolarHBondContact O-N 3.44Å; P279-T302 VanDerWaalsContact CA-OG1 3.3Å; P279-T302 WeakPolarHBondContact CA-OG1 3.37Å; R280-T302 WeakPolarHBondContact CB-O 3.42Å; R280-T302 PolarHBondContact N-O 3.27Å; T302-S304 PolarHBondContact O-N 3.33Å; T302-D316 HydrophobicContact CG2-CB 3.94Å; T302-I319 HydrophobicContact CG2-CB 4Å; T302-I319 HydrophobicContact CG2-CG1 4.22Å; T302-I319 HydrophobicContact CG2-CG2 4Å
303P85.1Confident81.4Confident78 Ų7873.8 Ų73.851%0.50638%0.382SS..PPolyproline II helixtrans-60.7130.6180-21.331.9000111.3V314P303-V314 HydrophobicContact CB-CG2 3.9Å; P303-V314 HydrophobicContact CG-CG2 4.31Å; P303-V314 WeakPolarHBondContact O-CB 3.41Å; P303-V314 WeakPolarHBondContact O-CG2 3.45Å; P303-V314 PolarHBondContact O-N 3.49Å; P303-V314 VanDerWaalsContact O-N 3.14Å
304S76.9Confident80.3Confident27 Ų2776.5 Ų76.519%0.18940%0.399CS..EExtended strand (participates in β ladder)trans-133137.5164.863.40000108.2R280 H281 T302R280-S304 WeakPolarHBondContact CB-OG 3.42Å; H281-S304 PolarHBondContact N-OG 3.4Å; H281-S304 VanDerWaalsContact N-OG 3.12Å; T302-S304 PolarHBondContact O-N 3.33Å
305R71.2Confident79.6Confident150 Ų15078.7 Ų78.757%0.56641%0.405SS*.EExtended strand (participates in β ladder)trans-131.5152.2174.568.5179.5-173.4172.4-0.5110.1Q312R305-Q312 HydrophobicContact CG-CB 3.95Å; R305-Q312 VanDerWaalsContact CZ-OE1 3.25Å; R305-Q312 PolarHBondContact N-O 2.91Å; R305-Q312 PolarHBondContact O-N 3.31Å; R305-Q312 VanDerWaalsContact O-O 3.13Å
306T71Confident79.2Confident86 Ų8675.9 Ų75.953%0.52839%0.393SS..EExtended strand (participates in β ladder)trans-102.3119168.5-530000107.4E310T306-E310 WeakPolarHBondContact CA-O 3.44Å
307L69.2Low79.1Confident70 Ų7073.3 Ų73.337%0.36637%0.374SS..EExtended strand (participates in β ladder)trans-125.3126.8175.6-175.669.4000107.8Q309 E310L307-Q309 VanDerWaalsContact C-N 3.28Å; L307-Q309 PolarHBondContact O-N 2.87Å; L307-E310 PolarHBondContact N-O 3.08Å; L307-E310 PolarHBondContact O-N 2.97Å; L307-E310 VanDerWaalsContact O-O 3.08Å
308N69.5Low79Confident143 Ų14376.5 Ų76.577%0.76537%0.372SS*.THydrogen-bonded Turntrans52.441.8-179.9-58.1-21.6000114E310N308-E310 PolarHBondContact O-N 3.44Å; N308-E310 VanDerWaalsContact O-N 3.11Å
309Q61.4Low78.8Confident192 Ų19277.6 Ų77.690%0.89738%0.378SS*.THydrogen-bonded Turntrans68.2-2.6-176.8-49.1176.4-10.900115.2L307L307-Q309 VanDerWaalsContact C-N 3.28Å; L307-Q309 PolarHBondContact O-N 2.87Å
310E60Low78.8Confident137 Ų13777.5 Ų77.564%0.6438%0.378SS*.EExtended strand (participates in β ladder)trans-97.7131.2173.5-66.2-172.1163.600110.3T306 L307 N308 Q312T306-E310 WeakPolarHBondContact CA-O 3.44Å; L307-E310 PolarHBondContact N-O 3.08Å; L307-E310 PolarHBondContact O-N 2.97Å; L307-E310 VanDerWaalsContact O-O 3.08Å; N308-E310 PolarHBondContact O-N 3.44Å; N308-E310 VanDerWaalsContact O-N 3.11Å; E310-Q312 PolarHBondContact O-N 2.9Å
311R69.3Low78.8Confident143 Ų14374.7 Ų74.754%0.5436%0.361SS..EExtended strand (participates in β ladder)trans-76.1112.2172.5-173.7-177-66.5173.12.3108.6H281 T313H281-R311 PolarHBondContact CD2-NH1 2.54Å; H281-R311 VanDerWaalsContact CG-NH1 3.32Å; H281-R311 PolarHBondContact NE2-NH1 3.2Å; H281-R311 VanDerWaalsContact NE2-NH1 3.13Å; R311-T313 WeakPolarHBondContact CD-OG1 3.25Å; R311-T313 WeakPolarHBondContact CG-OG1 3.35Å
312Q61.8Low78.9Confident80 Ų8076.6 Ų76.637%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-91.8104166.5-64.6-174.7-0.300108.1R305 E310R305-Q312 HydrophobicContact CG-CB 3.95Å; R305-Q312 VanDerWaalsContact CZ-OE1 3.25Å; R305-Q312 PolarHBondContact N-O 2.91Å; R305-Q312 PolarHBondContact O-N 3.31Å; R305-Q312 VanDerWaalsContact O-O 3.13Å; E310-Q312 PolarHBondContact O-N 2.9Å
313T64.3Low79.1Confident58 Ų5878.5 Ų78.536%0.35638%0.38SS..EExtended strand (participates in β ladder)trans-98.7128.1174.3-49.40000107.7P279 R311P279-T313 HydrophobicContact CB-CG2 4.26Å; R311-T313 WeakPolarHBondContact CD-OG1 3.25Å; R311-T313 WeakPolarHBondContact CG-OG1 3.35Å
314V73.8Confident79.7Confident66 Ų6674.8 Ų74.840%0.436%0.356SS..  trans-62.2138.8166.8174.30000107.4P303 D316 I319P303-V314 HydrophobicContact CB-CG2 3.9Å; P303-V314 HydrophobicContact CG-CG2 4.31Å; P303-V314 WeakPolarHBondContact O-CB 3.41Å; P303-V314 WeakPolarHBondContact O-CG2 3.45Å; P303-V314 PolarHBondContact O-N 3.49Å; P303-V314 VanDerWaalsContact O-N 3.14Å; V314-D316 PolarHBondContact O-N 3.49Å; V314-I319 HydrophobicContact CG1-CD1 4.42Å; V314-I319 HydrophobicContact CG1-CG1 4.17Å
315Y81.3Confident80.6Confident100 Ų10074.3 Ų74.339%0.39235%0.354SS..  trans-60.1103.9177.3-153.8-128.9000109.6D317 R318 D339 L340Y315-D317 VanDerWaalsContact C-N 3.27Å; Y315-D317 HydrophobicContact CD1-CB 3.91Å; Y315-D317 HydrophobicContact CE1-CB 3.77Å; Y315-D317 PolarHBondContact O-N 2.9Å; Y315-D317 PolarHBondContact OH-OD2 2.76Å; Y315-R318 HydrophobicContact CD1-CB 4.46Å; Y315-R318 PolarHBondContact O-N 3.05Å; Y315-D339 WeakPolarHBondContact CE1-OD2 3.26Å; Y315-D339 PolarHBondContact OH-OD2 3.36Å; Y315-L340 HydrophobicContact CD1-CD1 4.05Å; Y315-L340 HydrophobicContact CD1-CD2 4.06Å; Y315-L340 HydrophobicContact CD1-CG 4.4Å; Y315-L340 HydrophobicContact CE1-CD1 3.85Å; Y315-L340 HydrophobicContact CE1-CD2 3.93Å; Y315-L340 HydrophobicContact CE1-CG 3.94Å
316D84.1Confident81.7Confident27 Ų2772.1 Ų72.114%0.14435%0.353CS..Hα-helixtrans-63.7-36.1-173.243.5-21.2000111.1P279 T302 V314 R318 I319 I320P279-D316 HydrophobicContact CG-CB 4.33Å; P279-D316 VanDerWaalsContact CG-OD2 3.3Å; P279-D316 WeakPolarHBondContact CG-OD2 3.09Å; T302-D316 HydrophobicContact CG2-CB 3.94Å; V314-D316 PolarHBondContact O-N 3.49Å; D316-R318 VanDerWaalsContact C-N 3.3Å; D316-R318 PolarHBondContact O-N 3.32Å; D316-I319 WeakPolarHBondContact O-CA 3.49Å; D316-I319 WeakPolarHBondContact O-CB 3.3Å; D316-I319 PolarHBondContact O-N 2.87Å; D316-I320 WeakPolarHBondContact O-CG1 3.16Å; D316-I320 PolarHBondContact O-N 2.98Å
317D92.2Very high82.8Confident12 Ų1271.5 Ų71.56%0.06434%0.344CS..Hα-helixtrans-52.3-44.4174.3-61.8-6.6000112.7Y315 I319 I320 L321 Y337 L340Y315-D317 VanDerWaalsContact C-N 3.27Å; Y315-D317 HydrophobicContact CD1-CB 3.91Å; Y315-D317 HydrophobicContact CE1-CB 3.77Å; Y315-D317 PolarHBondContact O-N 2.9Å; Y315-D317 PolarHBondContact OH-OD2 2.76Å; D317-I319 VanDerWaalsContact C-N 3.32Å; D317-I319 PolarHBondContact O-N 3.13Å; D317-I320 WeakPolarHBondContact O-CB 3.29Å; D317-I320 PolarHBondContact O-N 3.32Å; D317-L321 WeakPolarHBondContact O-CG 3.32Å; D317-L321 PolarHBondContact O-N 3.43Å; D317-Y337 HydrophobicContact CB-CD1 3.63Å; D317-Y337 HydrophobicContact CB-CE1 3.76Å; D317-Y337 VanDerWaalsContact CG-CD1 3.47Å; D317-Y337 WeakPolarHBondContact OD1-CE1 3.34Å; D317-L340 HydrophobicContact CB-CD1 3.53Å
318R92.8Very high84Confident112 Ų11271.7 Ų71.742%0.42335%0.345SS..Hα-helixtrans-64.4-39.4179.1-171.2-178.8-74.8144.41.6111.2Y315 D316 Q322 L340 E343 F347Y315-R318 HydrophobicContact CD1-CB 4.46Å; Y315-R318 PolarHBondContact O-N 3.05Å; D316-R318 VanDerWaalsContact C-N 3.3Å; D316-R318 PolarHBondContact O-N 3.32Å; R318-Q322 VanDerWaalsContact O-CB 3.23Å; R318-Q322 WeakPolarHBondContact O-CB 3.28Å; R318-Q322 PolarHBondContact O-N 3.49Å; R318-L340 HydrophobicContact CB-CD1 4.25Å; R318-E343 IonicContact CZ-OE1 2.64Å; R318-E343 VanDerWaalsContact CZ-OE1 3.27Å; R318-E343 IonicContact CZ-OE2 2.86Å; R318-E343 IonicContact NE-OE1 3.1Å; R318-E343 PolarHBondContact NE-OE1 2.83Å; R318-E343 IonicContact NE-OE2 3.11Å; R318-E343 PolarHBondContact NE-OE2 2.91Å; R318-E343 VanDerWaalsContact NH2-CD 3.31Å; R318-E343 IonicContact NH2-OE1 2.73Å; R318-E343 PolarHBondContact NH2-OE1 3.29Å; R318-E343 IonicContact NH2-OE2 3.44Å; R318-E343 PolarHBondContact NH2-OE2 3.44Å; R318-F347 HydrophobicContact CG-CE2 4.06Å; R318-F347 HydrophobicContact CG-CZ 4.23Å
319I93.2Very high85.4Confident64 Ų6464.9 Ų64.933%0.32831%0.308SS..Hα-helixtrans-67.6-42.6176.9-58.3-59.7000110.6T302 V314 D316 D317 Q322 L323T302-I319 HydrophobicContact CG2-CB 4Å; T302-I319 HydrophobicContact CG2-CG1 4.22Å; T302-I319 HydrophobicContact CG2-CG2 4Å; V314-I319 HydrophobicContact CG1-CD1 4.42Å; V314-I319 HydrophobicContact CG1-CG1 4.17Å; D316-I319 WeakPolarHBondContact O-CA 3.49Å; D316-I319 WeakPolarHBondContact O-CB 3.3Å; D316-I319 PolarHBondContact O-N 2.87Å; D317-I319 VanDerWaalsContact C-N 3.32Å; D317-I319 PolarHBondContact O-N 3.13Å; I319-Q322 PolarHBondContact O-N 3.21Å; I319-L323 WeakPolarHBondContact O-CB 3.31Å; I319-L323 PolarHBondContact O-N 3.04Å
320I96.7Very high87.1Confident0 Ų055.8 Ų55.80%027%0.266CS..Hα-helixtrans-57.1-53.4176.3-70.8164.7000110.4I238 D240 V277 D316 D317 L323 A324 V331I238-I320 HydrophobicContact CG2-CG2 3.97Å; D240-I320 HydrophobicContact CB-CD1 3.94Å; V277-I320 HydrophobicContact CB-CD1 4.37Å; V277-I320 HydrophobicContact CB-CG1 3.71Å; V277-I320 HydrophobicContact CG1-CD1 4.36Å; V277-I320 HydrophobicContact CG1-CG1 3.69Å; V277-I320 HydrophobicContact CG2-CG1 4.14Å; D316-I320 WeakPolarHBondContact O-CG1 3.16Å; D316-I320 PolarHBondContact O-N 2.98Å; D317-I320 WeakPolarHBondContact O-CB 3.29Å; D317-I320 PolarHBondContact O-N 3.32Å; I320-L323 PolarHBondContact O-N 3.16Å; I320-A324 VanDerWaalsContact O-CB 3.28Å; I320-A324 WeakPolarHBondContact O-CB 3.02Å; I320-A324 PolarHBondContact O-N 3.29Å; I320-V331 HydrophobicContact CG2-CG1 3.67Å; I320-V331 HydrophobicContact CG2-CG2 4.03Å
321L96.6Very high88.9Confident0 Ų049.2 Ų49.20%024%0.235CC..Hα-helixtrans-65.4-41.2-178.2-64.6-179.2000112.2D317 A324 A325 Y337 L340 F347 L350 I351D317-L321 WeakPolarHBondContact O-CG 3.32Å; D317-L321 PolarHBondContact O-N 3.43Å; L321-A324 PolarHBondContact O-N 2.73Å; L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.35Å; L321-A325 PolarHBondContact O-N 3.37Å; L321-Y337 HydrophobicContact CD1-CG 4.36Å; L321-Y337 HydrophobicContact CD2-CD2 3.93Å; L321-Y337 HydrophobicContact CD2-CE2 4.26Å; L321-Y337 HydrophobicContact CD2-CG 4.38Å; L321-L340 HydrophobicContact CD1-CB 3.74Å; L321-L340 HydrophobicContact CD1-CD1 3.59Å; L321-L340 HydrophobicContact CD1-CG 4.33Å; L321-L340 HydrophobicContact CG-CD1 4.5Å; L321-F347 HydrophobicContact CB-CD1 3.75Å; L321-F347 HydrophobicContact CB-CD2 4.43Å; L321-F347 HydrophobicContact CB-CE1 3.9Å; L321-F347 HydrophobicContact CB-CG 4.05Å; L321-F347 HydrophobicContact CB-CZ 4.29Å; L321-F347 HydrophobicContact CD1-CB 4.13Å; L321-F347 HydrophobicContact CD1-CD2 4.11Å; L321-F347 HydrophobicContact CD1-CG 4.03Å; L321-L350 HydrophobicContact CD2-CD2 3.77Å; L321-I351 HydrophobicContact CD1-CD1 3.9Å; L321-I351 HydrophobicContact CD1-CG1 4.37Å; L321-I351 HydrophobicContact CD2-CD1 4.38Å; L321-I351 HydrophobicContact CD2-CG1 3.96Å
322Q94.9Very high90.3Very high63 Ų6342.4 Ų42.429%0.29421%0.21SC..Hα-helixtrans-64.2-49177.9-173.558.353.700111.5R318 I319 A324 A325 D326 F347R318-Q322 VanDerWaalsContact O-CB 3.23Å; R318-Q322 WeakPolarHBondContact O-CB 3.28Å; R318-Q322 PolarHBondContact O-N 3.49Å; I319-Q322 PolarHBondContact O-N 3.21Å; Q322-A324 VanDerWaalsContact C-N 3.3Å; Q322-A324 PolarHBondContact O-N 3.27Å; Q322-A325 PolarHBondContact O-N 3.44Å; Q322-D326 PolarHBondContact NE2-OD1 2.93Å; Q322-D326 PolarHBondContact NE2-OD2 3.22Å; Q322-D326 PolarHBondContact O-N 3.23Å; Q322-F347 HydrophobicContact CB-CE1 4.12Å; Q322-F347 HydrophobicContact CB-CZ 4.14Å
323L95.5Very high92.1Very high40 Ų4038.6 Ų38.621%0.20919%0.192CC..Hα-helixtrans-60.4-42178.8-17661.9000111.6I238 V275 V277 I319 I320 D326 K327I238-L323 HydrophobicContact CD1-CD2 3.8Å; I238-L323 HydrophobicContact CD1-CG 3.86Å; I238-L323 HydrophobicContact CG1-CG 4.47Å; V275-L323 HydrophobicContact CG1-CD2 3.99Å; V277-L323 HydrophobicContact CG2-CD2 3.96Å; I319-L323 WeakPolarHBondContact O-CB 3.31Å; I319-L323 PolarHBondContact O-N 3.04Å; I320-L323 PolarHBondContact O-N 3.16Å; L323-D326 PolarHBondContact O-N 2.85Å; L323-K327 HydrophobicContact CD1-CD 3.95Å; L323-K327 HydrophobicContact CD1-CG 4.46Å; L323-K327 HydrophobicContact CG-CD 4.25Å; L323-K327 WeakPolarHBondContact O-CB 3.41Å; L323-K327 PolarHBondContact O-N 3.42Å
324A97.4Very high93.5Very high0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-68.3-37.9178.100000112.4I238 I320 L321 Q322 N328 A329 V331 L350I238-A324 HydrophobicContact CB-CB 4.14Å; I238-A324 HydrophobicContact CG1-CB 3.69Å; I320-A324 VanDerWaalsContact O-CB 3.28Å; I320-A324 WeakPolarHBondContact O-CB 3.02Å; I320-A324 PolarHBondContact O-N 3.29Å; L321-A324 PolarHBondContact O-N 2.73Å; Q322-A324 VanDerWaalsContact C-N 3.3Å; Q322-A324 PolarHBondContact O-N 3.27Å; A324-N328 PolarHBondContact O-N 2.95Å; A324-A329 HydrophobicContact CB-CB 4.13Å; A324-A329 PolarHBondContact O-N 3.35Å; A324-V331 HydrophobicContact CB-CG2 3.31Å; A324-L350 HydrophobicContact CB-CD1 3.55Å
325A95.5Very high94.5Very high18 Ų1839 Ų3915%0.14919%0.19CC..Hα-helixtrans-61.9-47.5175.400000111.3L321 Q322 N328 L350L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.35Å; L321-A325 PolarHBondContact O-N 3.37Å; Q322-A325 PolarHBondContact O-N 3.44Å; A325-N328 PolarHBondContact O-N 3.1Å; A325-L350 HydrophobicContact CB-CD1 3.97Å; A325-L350 VanDerWaalsContact N-CD1 3.29Å
326D94.5Very high94.9Very high103 Ų10338.5 Ų38.555%0.55119%0.191SC*.Hα-helixtrans-69.7-35.9-176.7-66.2-23000112.6Q322 L323 N328Q322-D326 PolarHBondContact NE2-OD1 2.93Å; Q322-D326 PolarHBondContact NE2-OD2 3.22Å; Q322-D326 PolarHBondContact O-N 3.23Å; L323-D326 PolarHBondContact O-N 2.85Å; D326-N328 VanDerWaalsContact C-N 3.27Å; D326-N328 PolarHBondContact O-N 3.44Å
327K94.6Very high95.3Very high74 Ų7437.2 Ų37.232%0.32218%0.184SC..THydrogen-bonded Turntrans-82.7-1.2176.7-74.4179.6172.61710114.5P236 I238 L323 A329P236-K327 HydrophobicContact CB-CB 4.49Å; I238-K327 HydrophobicContact CD1-CD 4.25Å; L323-K327 HydrophobicContact CD1-CD 3.95Å; L323-K327 HydrophobicContact CD1-CG 4.46Å; L323-K327 HydrophobicContact CG-CD 4.25Å; L323-K327 WeakPolarHBondContact O-CB 3.41Å; L323-K327 PolarHBondContact O-N 3.42Å; K327-A329 HydrophobicContact CB-CB 4.18Å; K327-A329 PolarHBondContact O-N 3.46Å
328N95.1Very high95.1Very high73 Ų7345.2 Ų45.239%0.3921%0.213SC..THydrogen-bonded Turntrans52.935.4-168.4-165.225.1000112.8R235 A324 A325 D326 R354R235-N328 WeakPolarHBondContact CD-O 3.3Å; R235-N328 VanDerWaalsContact CG-O 3.24Å; R235-N328 WeakPolarHBondContact CG-O 3.43Å; R235-N328 VanDerWaalsContact NH1-CG 3.29Å; R235-N328 PolarHBondContact NH1-ND2 3.36Å; R235-N328 PolarHBondContact NH1-O 2.84Å; R235-N328 PolarHBondContact NH1-OD1 2.94Å; A324-N328 PolarHBondContact O-N 2.95Å; A325-N328 PolarHBondContact O-N 3.1Å; D326-N328 VanDerWaalsContact C-N 3.27Å; D326-N328 PolarHBondContact O-N 3.44Å; N328-R354 PolarHBondContact O-NH1 3.02Å; N328-R354 PolarHBondContact OD1-NH1 3.48Å
329A97.5Very high94.9Very high0 Ų044 Ų440%022%0.215CC..  trans-84.5170.5-174.800000113P236 I238 A324 K327 R354P236-A329 HydrophobicContact CB-CB 3.87Å; P236-A329 WeakPolarHBondContact O-CA 2.93Å; P236-A329 VanDerWaalsContact O-CB 3.26Å; P236-A329 WeakPolarHBondContact O-CB 3.43Å; I238-A329 HydrophobicContact CD1-CB 4.36Å; I238-A329 HydrophobicContact CG1-CB 3.69Å; A324-A329 HydrophobicContact CB-CB 4.13Å; A324-A329 PolarHBondContact O-N 3.35Å; K327-A329 HydrophobicContact CB-CB 4.18Å; K327-A329 PolarHBondContact O-N 3.46Å; A329-R354 VanDerWaalsContact O-CD 3.31Å; A329-R354 WeakPolarHBondContact O-CD 3.29Å; A329-R354 PolarHBondContact O-NE 2.86Å; A329-R354 PolarHBondContact O-NH1 2.85Å; A329-R354 VanDerWaalsContact O-NH1 3.08Å
330V98.1Very high94.8Very high1 Ų141.1 Ų41.11%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-94.5152.3157.2-75.10000110.3P236 I237 I238 I332 R354 L356 L383P236-V330 PolarHBondContact O-N 3.33Å; I237-V330 HydrophobicContact CD1-CG2 3.33Å; I238-V330 PolarHBondContact N-O 3.23Å; V330-I332 HydrophobicContact CG2-CD1 4.22Å; V330-R354 CarbonylContact C-O 3.51Å; V330-R354 VanDerWaalsContact CA-O 3.3Å; V330-R354 WeakPolarHBondContact CA-O 3.43Å; V330-R354 WeakPolarHBondContact CB-O 3.41Å; V330-R354 HydrophobicContact CG1-CB 3.96Å; V330-R354 HydrophobicContact CG1-CG 4.34Å; V330-L356 HydrophobicContact CB-CD1 3.94Å; V330-L356 HydrophobicContact CB-CG 4.22Å; V330-L356 HydrophobicContact CG1-CD1 3.95Å; V330-L356 HydrophobicContact CG1-CG 4.25Å; V330-L356 HydrophobicContact CG2-CD1 4.01Å; V330-L383 HydrophobicContact CG2-CD2 3.8Å
331V98.5Very high94.3Very high0 Ų042.9 Ų42.90%021%0.209CC..EExtended strand (participates in β ladder)trans-104132173.3175.30000108.8I238 I320 A324 Y337 L350 R354 L355 L356I238-V331 HydrophobicContact CB-CG2 4.42Å; I238-V331 CarbonylContact O-C 3.54Å; I238-V331 WeakPolarHBondContact O-CA 3.41Å; I320-V331 HydrophobicContact CG2-CG1 3.67Å; I320-V331 HydrophobicContact CG2-CG2 4.03Å; A324-V331 HydrophobicContact CB-CG2 3.31Å; V331-Y337 HydrophobicContact CG1-CE2 4.04Å; V331-L350 HydrophobicContact CB-CD2 4.27Å; V331-L350 HydrophobicContact CG2-CD2 3.6Å; V331-R354 PolarHBondContact N-O 3.46Å; V331-L355 HydrophobicContact CB-CD1 4.06Å; V331-L355 HydrophobicContact CG1-CD1 3.81Å; V331-L356 PolarHBondContact O-N 3.04Å
332I98.6Very high93.8Very high0 Ų051 Ų510%025%0.245CC..EExtended strand (participates in β ladder)trans-105.2103.9176.6-47.9-54.3000108I237 I238 I239 D240 F266 V330 L356 Y358 F365 L367I237-I332 HydrophobicContact CG2-CD1 4.18Å; I237-I332 HydrophobicContact CG2-CG1 3.53Å; I238-I332 PolarHBondContact O-N 3.33Å; I239-I332 HydrophobicContact CG1-CB 4.33Å; I239-I332 HydrophobicContact CG1-CG1 4.24Å; D240-I332 WeakPolarHBondContact CB-O 3.36Å; D240-I332 PolarHBondContact N-O 3.04Å; D240-I332 VanDerWaalsContact N-O 3.08Å; F266-I332 HydrophobicContact CE1-CD1 4.24Å; F266-I332 HydrophobicContact CE2-CD1 4.3Å; F266-I332 HydrophobicContact CE2-CG1 3.8Å; F266-I332 HydrophobicContact CE2-CG2 4.37Å; F266-I332 HydrophobicContact CZ-CD1 3.54Å; F266-I332 HydrophobicContact CZ-CG1 3.56Å; F266-I332 HydrophobicContact CZ-CG2 4.38Å; V330-I332 HydrophobicContact CG2-CD1 4.22Å; I332-L356 HydrophobicContact CD1-CB 3.85Å; I332-L356 HydrophobicContact CD1-CD1 4.01Å; I332-L356 HydrophobicContact CD1-CG 4.35Å; I332-Y358 HydrophobicContact CG2-CD1 3.96Å; I332-F365 HydrophobicContact CG2-CZ 3.88Å; I332-L367 HydrophobicContact CD1-CD2 4.1Å
333S98Very high93.5Very high0 Ų052.6 Ų52.60%025%0.252CS..  trans-161.4152.3178.6-168.20000110.4D240 N243 D335 Y337 L356D240-S333 PolarHBondContact OD2-OG 3.33Å; D240-S333 VanDerWaalsContact OD2-OG 3.07Å; N243-S333 PolarHBondContact ND2-OG 2.94Å; S333-D335 PolarHBondContact OG-N 3.4Å; S333-D335 VanDerWaalsContact OG-N 3.08Å; S333-Y337 WeakPolarHBondContact CB-OH 3.17Å; S333-Y337 PolarHBondContact OG-OH 3.16Å; S333-Y337 VanDerWaalsContact OG-OH 3.05Å; S333-L356 PolarHBondContact N-O 3.35Å
334N95.3Very high93Very high67 Ų6753.2 Ų53.236%0.35826%0.256SS..SBendtrans-92-7.2166.4-73.6-29.7000112.5N243 P357 Y358N243-N334 PolarHBondContact OD1-N 3.32Å; N334-P357 WeakPolarHBondContact OD1-CA 3.44Å; N334-Y358 HydrophobicContact CB-CE1 4.37Å; N334-Y358 PolarHBondContact ND2-O 3.14Å; N334-Y358 PolarHBondContact OD1-N 3.28Å; N334-Y358 PolarHBondContact OD1-O 3.32Å; N334-Y358 VanDerWaalsContact OD1-O 3.13Å
335D93.8Very high92.7Very high66 Ų6657.1 Ų57.135%0.35329%0.288SS..  trans-70.5142.9168.7-154-40.9000110.3N243 S333 Y337 L355N243-D335 PolarHBondContact ND2-N 2.59Å; S333-D335 PolarHBondContact OG-N 3.4Å; S333-D335 VanDerWaalsContact OG-N 3.08Å; D335-Y337 HydrophobicContact CB-CD1 4.11Å; D335-Y337 HydrophobicContact CB-CE1 3.77Å; D335-Y337 HydrophobicContact CB-CE2 4.4Å; D335-Y337 PolarHBondContact OD1-N 2.58Å; D335-L355 WeakPolarHBondContact O-CD2 3.43Å
336Q90.8Very high92.7Very high89 Ų8962 Ų6242%0.41631%0.306SS..  trans-95.3-11.4-179.7-59.9-63-60.600112.4R338Q336-R338 HydrophobicContact CB-CG 3.87Å; Q336-R338 PolarHBondContact O-N 2.6Å; Q336-R338 VanDerWaalsContact O-N 3.12Å
337Y92.4Very high92.7Very high0 Ų057.3 Ų57.30%028%0.28CS..  trans50.538.4178-49.5-66000113.6D240 D317 L321 V331 S333 D335 D339 L340 M341 L355D240-Y337 PolarHBondContact OD2-OH 3.48Å; D317-Y337 HydrophobicContact CB-CD1 3.63Å; D317-Y337 HydrophobicContact CB-CE1 3.76Å; D317-Y337 VanDerWaalsContact CG-CD1 3.47Å; D317-Y337 WeakPolarHBondContact OD1-CE1 3.34Å; L321-Y337 HydrophobicContact CD1-CG 4.36Å; L321-Y337 HydrophobicContact CD2-CD2 3.93Å; L321-Y337 HydrophobicContact CD2-CE2 4.26Å; L321-Y337 HydrophobicContact CD2-CG 4.38Å; V331-Y337 HydrophobicContact CG1-CE2 4.04Å; S333-Y337 WeakPolarHBondContact CB-OH 3.17Å; S333-Y337 PolarHBondContact OG-OH 3.16Å; S333-Y337 VanDerWaalsContact OG-OH 3.05Å; D335-Y337 HydrophobicContact CB-CD1 4.11Å; D335-Y337 HydrophobicContact CB-CE1 3.77Å; D335-Y337 HydrophobicContact CB-CE2 4.4Å; D335-Y337 PolarHBondContact OD1-N 2.58Å; Y337-D339 VanDerWaalsContact C-OD1 3.27Å; Y337-D339 PolarHBondContact O-N 3.21Å; Y337-L340 PolarHBondContact O-N 2.99Å; Y337-M341 PolarHBondContact O-N 2.97Å; Y337-L355 HydrophobicContact CD2-CD1 4.28Å; Y337-L355 HydrophobicContact CD2-CD2 4.27Å; Y337-L355 HydrophobicContact CE2-CD1 3.8Å
338R87.6Confident92.7Very high179 Ų17957.9 Ų57.968%0.67528%0.283SS*.THydrogen-bonded Turntrans-61.3-32.7-169.8-68.6-176.2-174.4151.62.2113.1Q336 L340 M341Q336-R338 HydrophobicContact CB-CG 3.87Å; Q336-R338 PolarHBondContact O-N 2.6Å; Q336-R338 VanDerWaalsContact O-N 3.12Å; R338-L340 VanDerWaalsContact C-N 3.32Å; R338-M341 HydrophobicContact CG-SD 4.48Å
339D87.6Confident92.6Very high88 Ų8861.2 Ų61.247%0.47129%0.294SS..THydrogen-bonded Turntrans-65.2-34.1175.961.7-43.3000112.4Y315 Y337Y315-D339 WeakPolarHBondContact CE1-OD2 3.26Å; Y315-D339 PolarHBondContact OH-OD2 3.36Å; Y337-D339 VanDerWaalsContact C-OD1 3.27Å; Y337-D339 PolarHBondContact O-N 3.21Å
340L91.2Very high92.5Very high3 Ų361.2 Ų61.22%0.01629%0.294CS..THydrogen-bonded Turntrans-88.2-15.4179.4-60.4-178.6000113.9Y315 D317 R318 L321 Y337 R338 F342 E343 F347Y315-L340 HydrophobicContact CD1-CD1 4.05Å; Y315-L340 HydrophobicContact CD1-CD2 4.06Å; Y315-L340 HydrophobicContact CD1-CG 4.4Å; Y315-L340 HydrophobicContact CE1-CD1 3.85Å; Y315-L340 HydrophobicContact CE1-CD2 3.93Å; Y315-L340 HydrophobicContact CE1-CG 3.94Å; D317-L340 HydrophobicContact CB-CD1 3.53Å; R318-L340 HydrophobicContact CB-CD1 4.25Å; L321-L340 HydrophobicContact CD1-CB 3.74Å; L321-L340 HydrophobicContact CD1-CD1 3.59Å; L321-L340 HydrophobicContact CD1-CG 4.33Å; L321-L340 HydrophobicContact CG-CD1 4.5Å; Y337-L340 PolarHBondContact O-N 2.99Å; R338-L340 VanDerWaalsContact C-N 3.32Å; L340-F342 PolarHBondContact O-N 3.25Å; L340-E343 WeakPolarHBondContact CD2-OE2 3.34Å; L340-E343 PolarHBondContact O-N 2.78Å; L340-E343 VanDerWaalsContact O-N 3.16Å; L340-F347 HydrophobicContact CB-CD2 4.35Å
341M86Confident92.3Very high37 Ų3761.8 Ų61.818%0.18230%0.297CS..THydrogen-bonded Turntrans-55-36.8-179.8-74.2-17671.900113.1Y337 R338 K348 I351 E352Y337-M341 PolarHBondContact O-N 2.97Å; R338-M341 HydrophobicContact CG-SD 4.48Å; M341-K348 WeakPolarHBondContact O-CB 3.26Å; M341-I351 HydrophobicContact CB-CD1 4.36Å; M341-I351 HydrophobicContact CE-CG2 4.42Å; M341-I351 HydrophobicContact CG-CB 4.42Å; M341-I351 HydrophobicContact CG-CD1 3.49Å; M341-I351 VanDerWaalsContact CG-CD1 3.49Å; M341-I351 HydrophobicContact CG-CG2 4.07Å; M341-I351 HydrophobicContact SD-CG2 4.19Å; M341-E352 HydrophobicContact CE-CG 4.48Å
342F86.4Confident92.1Very high170 Ų17066.5 Ų66.575%0.74632%0.319SS*.THydrogen-bonded Turntrans-97.2-2.2-175.7-56.6-72.9000113.6L340L340-F342 PolarHBondContact O-N 3.25Å
343E88.5Confident91.8Very high96 Ų9670 Ų7045%0.44934%0.34SS..THydrogen-bonded Turntrans-75.8-39179.1-170.8-178.8133.100111.9R318 L340R318-E343 IonicContact CZ-OE1 2.64Å; R318-E343 VanDerWaalsContact CZ-OE1 3.27Å; R318-E343 IonicContact CZ-OE2 2.86Å; R318-E343 IonicContact NE-OE1 3.1Å; R318-E343 PolarHBondContact NE-OE1 2.83Å; R318-E343 IonicContact NE-OE2 3.11Å; R318-E343 PolarHBondContact NE-OE2 2.91Å; R318-E343 VanDerWaalsContact NH2-CD 3.31Å; R318-E343 IonicContact NH2-OE1 2.73Å; R318-E343 PolarHBondContact NH2-OE1 3.29Å; R318-E343 IonicContact NH2-OE2 3.44Å; R318-E343 PolarHBondContact NH2-OE2 3.44Å; L340-E343 WeakPolarHBondContact CD2-OE2 3.34Å; L340-E343 PolarHBondContact O-N 2.78Å; L340-E343 VanDerWaalsContact O-N 3.16Å
344N85.9Confident91.7Very high53 Ų5371.4 Ų71.428%0.28335%0.346SS..  trans-147.9130.2-173.8-176.3-20.3000111.1K346 F347 K348N344-K346 PolarHBondContact O-N 3.47Å; N344-K346 WeakPolarHBondContact OD1-CB 3.4Å; N344-K346 PolarHBondContact OD1-N 3.47Å; N344-F347 HydrophobicContact CB-CB 4.23Å; N344-F347 HydrophobicContact CB-CD1 4.33Å; N344-F347 HydrophobicContact CB-CD2 3.72Å; N344-F347 HydrophobicContact CB-CE2 4.1Å; N344-F347 HydrophobicContact CB-CG 3.84Å; N344-F347 WeakPolarHBondContact O-CA 3.18Å; N344-F347 WeakPolarHBondContact O-CB 3.22Å; N344-F347 PolarHBondContact O-N 3.34Å; N344-K348 PolarHBondContact O-N 2.94Å
345A91.6Very high91.8Very high82 Ų8268.7 Ų68.768%0.67833%0.331SS*.Hα-helixtrans-58.2-30.7178.200000113.4K349A345-K349 WeakPolarHBondContact O-CB 3.45Å; A345-K349 PolarHBondContact O-N 2.93Å
346K94Very high92Very high122 Ų12265.6 Ų65.653%0.5331%0.314SS..Hα-helixtrans-65.6-39.2173.1-67.9-176.7178.5-179.90111.6N344 L350N344-K346 PolarHBondContact O-N 3.47Å; N344-K346 WeakPolarHBondContact OD1-CB 3.4Å; N344-K346 PolarHBondContact OD1-N 3.47Å; K346-L350 VanDerWaalsContact O-CB 3.27Å; K346-L350 WeakPolarHBondContact O-CB 3.37Å; K346-L350 PolarHBondContact O-N 2.94Å
347F95Very high92.3Very high3 Ų363.2 Ų63.21%0.01331%0.306CS..Hα-helixtrans-68.6-46177.6-65-7.7000110.5R318 L321 Q322 L340 N344 K349 L350 I351R318-F347 HydrophobicContact CG-CE2 4.06Å; R318-F347 HydrophobicContact CG-CZ 4.23Å; L321-F347 HydrophobicContact CB-CD1 3.75Å; L321-F347 HydrophobicContact CB-CD2 4.43Å; L321-F347 HydrophobicContact CB-CE1 3.9Å; L321-F347 HydrophobicContact CB-CG 4.05Å; L321-F347 HydrophobicContact CB-CZ 4.29Å; L321-F347 HydrophobicContact CD1-CB 4.13Å; L321-F347 HydrophobicContact CD1-CD2 4.11Å; L321-F347 HydrophobicContact CD1-CG 4.03Å; Q322-F347 HydrophobicContact CB-CE1 4.12Å; Q322-F347 HydrophobicContact CB-CZ 4.14Å; L340-F347 HydrophobicContact CB-CD2 4.35Å; N344-F347 HydrophobicContact CB-CB 4.23Å; N344-F347 HydrophobicContact CB-CD1 4.33Å; N344-F347 HydrophobicContact CB-CD2 3.72Å; N344-F347 HydrophobicContact CB-CE2 4.1Å; N344-F347 HydrophobicContact CB-CG 3.84Å; N344-F347 WeakPolarHBondContact O-CA 3.18Å; N344-F347 WeakPolarHBondContact O-CB 3.22Å; N344-F347 PolarHBondContact O-N 3.34Å; F347-K349 PolarHBondContact O-N 3.46Å; F347-L350 WeakPolarHBondContact O-CB 3.24Å; F347-L350 PolarHBondContact O-N 2.77Å; F347-L350 VanDerWaalsContact O-N 3.12Å; F347-I351 WeakPolarHBondContact O-CB 3.48Å; F347-I351 VanDerWaalsContact O-CG1 3.29Å; F347-I351 WeakPolarHBondContact O-CG1 3.16Å; F347-I351 PolarHBondContact O-N 3.11Å
348K94.1Very high92.5Very high87 Ų8763.6 Ų63.638%0.37831%0.308SS..Hα-helixtrans-51-55.4172.9-171.7175.8173.6178.60111.8M341 N344 L350 I351 E352M341-K348 WeakPolarHBondContact O-CB 3.26Å; N344-K348 PolarHBondContact O-N 2.94Å; K348-L350 VanDerWaalsContact C-N 3.3Å; K348-L350 PolarHBondContact O-N 3.24Å; K348-I351 PolarHBondContact O-N 3.13Å; K348-E352 WeakPolarHBondContact CE-OE1 3.34Å; K348-E352 HydrophobicContact CG-CG 4.47Å; K348-E352 IonicContact NZ-OE1 3.94Å; K348-E352 WeakPolarHBondContact O-CB 3.49Å; K348-E352 WeakPolarHBondContact O-CG 3.11Å; K348-E352 PolarHBondContact O-N 3.26Å
349K94.3Very high92.9Very high143 Ų14359.2 Ų59.262%0.62230%0.301SS*.Hα-helixtrans-58.8-42.7179.1-176.6175.1-178.5175.40111.3A345 F347 T353A345-K349 WeakPolarHBondContact O-CB 3.45Å; A345-K349 PolarHBondContact O-N 2.93Å; F347-K349 PolarHBondContact O-N 3.46Å; K349-T353 WeakPolarHBondContact O-CB 3.41Å; K349-T353 PolarHBondContact O-N 3.47Å; K349-T353 VanDerWaalsContact O-N 3.12Å; K349-T353 PolarHBondContact O-OG1 3.32Å
350L95.5Very high93.2Very high0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-62-49.6178.8-169.9150.8000111.6L321 A324 A325 V331 K346 F347 K348 E352 T353 R354 L355L321-L350 HydrophobicContact CD2-CD2 3.77Å; A324-L350 HydrophobicContact CB-CD1 3.55Å; A325-L350 HydrophobicContact CB-CD1 3.97Å; A325-L350 VanDerWaalsContact N-CD1 3.29Å; V331-L350 HydrophobicContact CB-CD2 4.27Å; V331-L350 HydrophobicContact CG2-CD2 3.6Å; K346-L350 VanDerWaalsContact O-CB 3.27Å; K346-L350 WeakPolarHBondContact O-CB 3.37Å; K346-L350 PolarHBondContact O-N 2.94Å; F347-L350 WeakPolarHBondContact O-CB 3.24Å; F347-L350 PolarHBondContact O-N 2.77Å; F347-L350 VanDerWaalsContact O-N 3.12Å; K348-L350 VanDerWaalsContact C-N 3.3Å; K348-L350 PolarHBondContact O-N 3.24Å; L350-E352 VanDerWaalsContact C-N 3.32Å; L350-E352 PolarHBondContact O-N 2.84Å; L350-T353 PolarHBondContact O-N 3.35Å; L350-R354 HydrophobicContact CG-CB 4.32Å; L350-R354 CarbonylContact O-C 3.49Å; L350-R354 WeakPolarHBondContact O-CA 3.28Å; L350-R354 WeakPolarHBondContact O-CB 3.31Å; L350-R354 PolarHBondContact O-N 2.99Å; L350-L355 PolarHBondContact O-N 3.35Å
351I94.3Very high93.1Very high12 Ų1260.1 Ų60.16%0.06231%0.311CS..Hα-helixtrans-61.8-42.6-179-68.2164000110.2L321 M341 F347 K348 T353 L355L321-I351 HydrophobicContact CD1-CD1 3.9Å; L321-I351 HydrophobicContact CD1-CG1 4.37Å; L321-I351 HydrophobicContact CD2-CD1 4.38Å; L321-I351 HydrophobicContact CD2-CG1 3.96Å; M341-I351 HydrophobicContact CB-CD1 4.36Å; M341-I351 HydrophobicContact CE-CG2 4.42Å; M341-I351 HydrophobicContact CG-CB 4.42Å; M341-I351 HydrophobicContact CG-CD1 3.49Å; M341-I351 VanDerWaalsContact CG-CD1 3.49Å; M341-I351 HydrophobicContact CG-CG2 4.07Å; M341-I351 HydrophobicContact SD-CG2 4.19Å; F347-I351 WeakPolarHBondContact O-CB 3.48Å; F347-I351 VanDerWaalsContact O-CG1 3.29Å; F347-I351 WeakPolarHBondContact O-CG1 3.16Å; F347-I351 PolarHBondContact O-N 3.11Å; K348-I351 PolarHBondContact O-N 3.13Å; I351-T353 PolarHBondContact O-N 3.22Å; I351-L355 HydrophobicContact CG2-CD2 4.08Å; I351-L355 WeakPolarHBondContact O-CB 3.36Å
352E92.6Very high93.3Very high100 Ų10061 Ų6147%0.46733%0.33SS..Hα-helixtrans-70.6-26.2-179-71.7173.5167.700114M341 K348 L350 Y372M341-E352 HydrophobicContact CE-CG 4.48Å; K348-E352 WeakPolarHBondContact CE-OE1 3.34Å; K348-E352 HydrophobicContact CG-CG 4.47Å; K348-E352 IonicContact NZ-OE1 3.94Å; K348-E352 WeakPolarHBondContact O-CB 3.49Å; K348-E352 WeakPolarHBondContact O-CG 3.11Å; K348-E352 PolarHBondContact O-N 3.26Å; L350-E352 VanDerWaalsContact C-N 3.32Å; L350-E352 PolarHBondContact O-N 2.84Å; E352-Y372 WeakPolarHBondContact O-CE1 3.41Å
353T93.9Very high93.6Very high72 Ų7257.8 Ų57.844%0.44232%0.32SS..Hα-helixtrans-125.2-13.4-168.163.30000115.3K349 L350 I351 Y372K349-T353 WeakPolarHBondContact O-CB 3.41Å; K349-T353 PolarHBondContact O-N 3.47Å; K349-T353 VanDerWaalsContact O-N 3.12Å; K349-T353 PolarHBondContact O-OG1 3.32Å; L350-T353 PolarHBondContact O-N 3.35Å; I351-T353 PolarHBondContact O-N 3.22Å; T353-Y372 PolarHBondContact O-OH 2.68Å; T353-Y372 VanDerWaalsContact O-OH 3.08Å
354R96Very high93.8Very high31 Ų3157.9 Ų57.912%0.11732%0.323CS..Hα-helixtrans-142.210.4-171.7-62.4-171.6-60.6176-8.6115.2N328 A329 V330 V331 L350 Y372N328-R354 PolarHBondContact O-NH1 3.02Å; N328-R354 PolarHBondContact OD1-NH1 3.48Å; A329-R354 VanDerWaalsContact O-CD 3.31Å; A329-R354 WeakPolarHBondContact O-CD 3.29Å; A329-R354 PolarHBondContact O-NE 2.86Å; A329-R354 PolarHBondContact O-NH1 2.85Å; A329-R354 VanDerWaalsContact O-NH1 3.08Å; V330-R354 CarbonylContact C-O 3.51Å; V330-R354 VanDerWaalsContact CA-O 3.3Å; V330-R354 WeakPolarHBondContact CA-O 3.43Å; V330-R354 WeakPolarHBondContact CB-O 3.41Å; V330-R354 HydrophobicContact CG1-CB 3.96Å; V330-R354 HydrophobicContact CG1-CG 4.34Å; V331-R354 PolarHBondContact N-O 3.46Å; L350-R354 HydrophobicContact CG-CB 4.32Å; L350-R354 CarbonylContact O-C 3.49Å; L350-R354 WeakPolarHBondContact O-CA 3.28Å; L350-R354 WeakPolarHBondContact O-CB 3.31Å; L350-R354 PolarHBondContact O-N 2.99Å; R354-Y372 WeakPolarHBondContact CA-OH 3.2Å; R354-Y372 PolarHBondContact N-OH 3.17Å
355L97Very high94.4Very high10 Ų1055.9 Ų55.95%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-89.4116.3169.2176.763000109.2V331 D335 Y337 L350 I351 Y372V331-L355 HydrophobicContact CB-CD1 4.06Å; V331-L355 HydrophobicContact CG1-CD1 3.81Å; D335-L355 WeakPolarHBondContact O-CD2 3.43Å; Y337-L355 HydrophobicContact CD2-CD1 4.28Å; Y337-L355 HydrophobicContact CD2-CD2 4.27Å; Y337-L355 HydrophobicContact CE2-CD1 3.8Å; L350-L355 PolarHBondContact O-N 3.35Å; I351-L355 HydrophobicContact CG2-CD2 4.08Å; I351-L355 WeakPolarHBondContact O-CB 3.36Å; L355-Y372 PolarHBondContact N-OH 3.32Å; L355-Y372 VanDerWaalsContact N-OH 3.08Å; L355-Y372 PolarHBondContact O-OH 3.5Å
356L98Very high94.6Very high0 Ų056.5 Ų56.50%030%0.303CS..EExtended strand (participates in β ladder)trans-109.2119.3-176.7-56.8-178.2000110.3V330 V331 I332 S333 L367 P371 Y372 L379 C382 L383V330-L356 HydrophobicContact CB-CD1 3.94Å; V330-L356 HydrophobicContact CB-CG 4.22Å; V330-L356 HydrophobicContact CG1-CD1 3.95Å; V330-L356 HydrophobicContact CG1-CG 4.25Å; V330-L356 HydrophobicContact CG2-CD1 4.01Å; V331-L356 PolarHBondContact O-N 3.04Å; I332-L356 HydrophobicContact CD1-CB 3.85Å; I332-L356 HydrophobicContact CD1-CD1 4.01Å; I332-L356 HydrophobicContact CD1-CG 4.35Å; S333-L356 PolarHBondContact N-O 3.35Å; L356-L367 HydrophobicContact CB-CD2 4.11Å; L356-L367 HydrophobicContact CD1-CD2 4.14Å; L356-P371 HydrophobicContact CD2-CB 3.72Å; L356-P371 HydrophobicContact CD2-CG 3.87Å; L356-Y372 HydrophobicContact CD2-CE2 3.76Å; L356-L379 HydrophobicContact CD1-CD1 4.17Å; L356-C382 HydrophobicContact CD1-CB 4.18Å; L356-C382 HydrophobicContact CD2-CB 4Å; L356-L383 HydrophobicContact CD1-CD2 3.71Å; L356-L383 HydrophobicContact CD1-CG 4.44Å
357P96.1Very high94.7Very high39 Ų3951.1 Ų51.125%0.25328%0.28SS..  trans-74.3160.7174.932.5-35.2000111N334 P368N334-P357 WeakPolarHBondContact OD1-CA 3.44Å; P357-P368 HydrophobicContact CG-CG 4.27Å; P357-P368 WeakPolarHBondContact O-CD 3.4Å
358Y98Very high94.7Very high8 Ų853 Ų533%0.03129%0.293CS..  trans-138.7160.7175.968.3-88.5000111.5N243 V244 A247 I332 N334 M360 F365 L366N243-Y358 VanDerWaalsContact C-OH 3.23Å; N243-Y358 PolarHBondContact O-OH 3.33Å; N243-Y358 WeakPolarHBondContact OD1-CE1 3.44Å; N243-Y358 VanDerWaalsContact OD1-CZ 3.31Å; N243-Y358 PolarHBondContact OD1-OH 2.92Å; V244-Y358 VanDerWaalsContact CA-OH 3.32Å; V244-Y358 WeakPolarHBondContact CA-OH 3.41Å; V244-Y358 HydrophobicContact CG2-CD1 4.45Å; V244-Y358 HydrophobicContact CG2-CE1 3.81Å; V244-Y358 HydrophobicContact CG2-CE2 4.43Å; V244-Y358 PolarHBondContact N-OH 2.84Å; A247-Y358 HydrophobicContact CB-CE2 3.77Å; A247-Y358 WeakPolarHBondContact CB-OH 3.45Å; I332-Y358 HydrophobicContact CG2-CD1 3.96Å; N334-Y358 HydrophobicContact CB-CE1 4.37Å; N334-Y358 PolarHBondContact ND2-O 3.14Å; N334-Y358 PolarHBondContact OD1-N 3.28Å; N334-Y358 PolarHBondContact OD1-O 3.32Å; N334-Y358 VanDerWaalsContact OD1-O 3.13Å; Y358-M360 HydrophobicContact CD2-CB 4.38Å; Y358-M360 HydrophobicContact CE2-CB 4.08Å; Y358-M360 HydrophobicContact CE2-CE 4.4Å; Y358-F365 HydrophobicContact CD1-CE2 4.1Å; Y358-F365 HydrophobicContact CD1-CZ 4.44Å; Y358-F365 AromaticContact CD2-CD2 3.76Å; Y358-F365 HydrophobicContact CD2-CD2 3.76Å; Y358-F365 AromaticContact CD2-CE2 3.34Å; Y358-F365 HydrophobicContact CD2-CE2 3.34Å; Y358-F365 HydrophobicContact CD2-CZ 4.25Å; Y358-F365 HydrophobicContact CE2-CD2 4.4Å; Y358-F365 AromaticContact CE2-CE2 4Å; Y358-F365 HydrophobicContact CE2-CE2 4Å; Y358-F365 HydrophobicContact CG-CD2 4.24Å; Y358-F365 AromaticContact CG-CE2 3.42Å; Y358-F365 HydrophobicContact CG-CE2 3.42Å; Y358-F365 VanDerWaalsContact CG-CE2 3.42Å; Y358-F365 AromaticContact CG-CZ 3.9Å; Y358-F365 HydrophobicContact CG-CZ 3.9Å; Y358-L366 CarbonylContact C-O 3.55Å; Y358-L366 VanDerWaalsContact CA-O 3.28Å; Y358-L366 WeakPolarHBondContact CA-O 3.48Å; Y358-L366 WeakPolarHBondContact CB-O 3.26Å
359V94.1Very high94.8Very high87 Ų8754.4 Ų54.453%0.52730%0.3SS..EExtended strand (participates in β ladder)trans-110130.1172.1179.60000108.8L366V359-L366 PolarHBondContact N-O 2.83Å; V359-L366 PolarHBondContact O-N 2.93Å
360M93.7Very high94.8Very high34 Ų3451.2 Ų51.217%0.16729%0.29CS..EExtended strand (participates in β ladder)trans-114116171.2-171.768.674.500109.3V244 A247 H248 L261 Y358 I364 F365V244-M360 HydrophobicContact CG1-CE 4.02Å; A247-M360 HydrophobicContact CB-CB 4.06Å; A247-M360 HydrophobicContact CB-CG 4.44Å; H248-M360 HydrophobicContact CB-CE 3.96Å; H248-M360 HydrophobicContact CB-CG 4.04Å; H248-M360 HydrophobicContact CB-SD 4.08Å; L261-M360 HydrophobicContact CD1-SD 4.12Å; Y358-M360 HydrophobicContact CD2-CB 4.38Å; Y358-M360 HydrophobicContact CE2-CB 4.08Å; Y358-M360 HydrophobicContact CE2-CE 4.4Å; M360-I364 WeakPolarHBondContact CA-O 3.35Å; M360-F365 HydrophobicContact CE-CB 4.38Å; M360-F365 HydrophobicContact CE-CD2 3.56Å; M360-F365 HydrophobicContact CE-CE2 4.36Å; M360-F365 HydrophobicContact CE-CG 4.44Å; M360-F365 HydrophobicContact SD-CB 4.38Å; M360-F365 HydrophobicContact SD-CD2 4.45Å
361S89.3Confident94.6Very high76 Ų7652 Ų5253%0.53130%0.295SS..EExtended strand (participates in β ladder)trans-134.4106.4177-175.50000110.1N363 I364S361-N363 PolarHBondContact O-N 3.49Å; S361-I364 PolarHBondContact N-O 2.75Å; S361-I364 VanDerWaalsContact O-CB 3.28Å; S361-I364 WeakPolarHBondContact O-CB 3.32Å; S361-I364 PolarHBondContact O-N 3.28Å
362G90.2Very high94.5Very high56 Ų5655 Ų5558%0.57731%0.306SS*.THydrogen-bonded Turntrans56.8-123.1-169.700000110.8H248 I364H248-G362 PolarHBondContact CD2-O 2.93Å; H248-G362 VanDerWaalsContact CD2-O 3.24Å; H248-G362 PolarHBondContact NE2-O 3.12Å; G362-I364 VanDerWaalsContact C-N 3.35Å
363N94.2Very high94.4Very high102 Ų10251.3 Ų51.355%0.54530%0.296SS..THydrogen-bonded Turntrans-97.225.2174.9-72.8-16.9000113.2H248 L261 S361H248-N363 PolarHBondContact NE2-OD1 2.97Å; L261-N363 HydrophobicContact CD1-CB 4.12Å; L261-N363 HydrophobicContact CD2-CB 4.35Å; L261-N363 VanDerWaalsContact CD2-O 3.22Å; L261-N363 WeakPolarHBondContact CD2-O 3.24Å; S361-N363 PolarHBondContact O-N 3.49Å
364I92.8Very high94.2Very high98 Ų9853.9 Ų53.950%0.50331%0.314SS..EExtended strand (participates in β ladder)trans-107.8117.6177.7-58.4176.5000108.5M360 S361 G362 L366M360-I364 WeakPolarHBondContact CA-O 3.35Å; S361-I364 PolarHBondContact N-O 2.75Å; S361-I364 VanDerWaalsContact O-CB 3.28Å; S361-I364 WeakPolarHBondContact O-CB 3.32Å; S361-I364 PolarHBondContact O-N 3.28Å; G362-I364 VanDerWaalsContact C-N 3.35Å; I364-L366 HydrophobicContact CG2-CD1 3.57Å; I364-L366 HydrophobicContact CG2-CD2 4.43Å; I364-L366 HydrophobicContact CG2-CG 3.65Å
365F97.3Very high94Very high12 Ų1262.6 Ų62.65%0.05335%0.352CS..EExtended strand (participates in β ladder)trans-109.9121.3171.6179.6-91.5000109.1V244 L261 A262 Y265 F266 I332 Y358 M360 L367V244-F365 HydrophobicContact CG1-CE2 4.43Å; V244-F365 HydrophobicContact CG2-CE2 4.23Å; L261-F365 HydrophobicContact CB-CB 3.88Å; A262-F365 HydrophobicContact CB-CD1 4.26Å; A262-F365 HydrophobicContact CB-CD2 4.1Å; A262-F365 HydrophobicContact CB-CE1 3.95Å; A262-F365 HydrophobicContact CB-CE2 3.77Å; A262-F365 HydrophobicContact CB-CG 4.32Å; A262-F365 HydrophobicContact CB-CZ 3.69Å; Y265-F365 HydrophobicContact CD1-CD1 4.41Å; Y265-F365 HydrophobicContact CD1-CE1 4.19Å; Y265-F365 HydrophobicContact CD2-CD1 4.14Å; Y265-F365 AromaticContact CG-CD1 3.84Å; Y265-F365 HydrophobicContact CG-CD1 3.84Å; Y265-F365 HydrophobicContact CG-CE1 4.08Å; F266-F365 HydrophobicContact CE2-CE1 4.16Å; F266-F365 HydrophobicContact CE2-CZ 4.48Å; I332-F365 HydrophobicContact CG2-CZ 3.88Å; Y358-F365 HydrophobicContact CD1-CE2 4.1Å; Y358-F365 HydrophobicContact CD1-CZ 4.44Å; Y358-F365 AromaticContact CD2-CD2 3.76Å; Y358-F365 HydrophobicContact CD2-CD2 3.76Å; Y358-F365 AromaticContact CD2-CE2 3.34Å; Y358-F365 HydrophobicContact CD2-CE2 3.34Å; Y358-F365 HydrophobicContact CD2-CZ 4.25Å; Y358-F365 HydrophobicContact CE2-CD2 4.4Å; Y358-F365 AromaticContact CE2-CE2 4Å; Y358-F365 HydrophobicContact CE2-CE2 4Å; Y358-F365 HydrophobicContact CG-CD2 4.24Å; Y358-F365 AromaticContact CG-CE2 3.42Å; Y358-F365 HydrophobicContact CG-CE2 3.42Å; Y358-F365 VanDerWaalsContact CG-CE2 3.42Å; Y358-F365 AromaticContact CG-CZ 3.9Å; Y358-F365 HydrophobicContact CG-CZ 3.9Å; M360-F365 HydrophobicContact CE-CB 4.38Å; M360-F365 HydrophobicContact CE-CD2 3.56Å; M360-F365 HydrophobicContact CE-CE2 4.36Å; M360-F365 HydrophobicContact CE-CG 4.44Å; M360-F365 HydrophobicContact SD-CB 4.38Å; M360-F365 HydrophobicContact SD-CD2 4.45Å; F365-L367 HydrophobicContact CD1-CD1 4.18Å; F365-L367 HydrophobicContact CE1-CD1 3.3Å; F365-L367 HydrophobicContact CZ-CD1 3.67Å
366L95.8Very high93.8Very high94 Ų9463.6 Ų63.649%0.49237%0.365SS..EExtended strand (participates in β ladder)trans-136.9144.2-177.7-67.7169.4000110.6Y358 V359 I364Y358-L366 CarbonylContact C-O 3.55Å; Y358-L366 VanDerWaalsContact CA-O 3.28Å; Y358-L366 WeakPolarHBondContact CA-O 3.48Å; Y358-L366 WeakPolarHBondContact CB-O 3.26Å; V359-L366 PolarHBondContact N-O 2.83Å; V359-L366 PolarHBondContact O-N 2.93Å; I364-L366 HydrophobicContact CG2-CD1 3.57Å; I364-L366 HydrophobicContact CG2-CD2 4.43Å; I364-L366 HydrophobicContact CG2-CG 3.65Å
367L97.5Very high93.6Very high10 Ų1066.2 Ų66.25%0.05238%0.382CS..  trans-102.6142.4163-81.767.4000107.9Y265 F266 I332 L356 F365 L379Y265-L367 HydrophobicContact CD1-CD1 4.32Å; Y265-L367 HydrophobicContact CE1-CD1 4Å; F266-L367 HydrophobicContact CE1-CD2 4.26Å; F266-L367 HydrophobicContact CZ-CD1 4.11Å; F266-L367 HydrophobicContact CZ-CD2 3.96Å; I332-L367 HydrophobicContact CD1-CD2 4.1Å; L356-L367 HydrophobicContact CB-CD2 4.11Å; L356-L367 HydrophobicContact CD1-CD2 4.14Å; F365-L367 HydrophobicContact CD1-CD1 4.18Å; F365-L367 HydrophobicContact CE1-CD1 3.3Å; F365-L367 HydrophobicContact CZ-CD1 3.67Å; L367-L379 HydrophobicContact CB-CD1 4.01Å; L367-L379 HydrophobicContact CB-CD2 3.81Å; L367-L379 HydrophobicContact CD2-CD1 3.68Å
368P94.2Very high93.6Very high42 Ų4266.3 Ų66.327%0.27338%0.384SS..  trans-63.5145.6170.928.8-34.6000110.5P357 D370 P371P357-P368 HydrophobicContact CG-CG 4.27Å; P357-P368 WeakPolarHBondContact O-CD 3.4Å; P368-D370 PolarHBondContact O-N 2.97Å; P368-P371 HydrophobicContact CG-CB 4.37Å
369E95.2Very high93.5Very high116 Ų11666 Ų6654%0.54238%0.382SS..SBendtrans-69-20.9175.3-73.4-61.5145.700112.3P371 S378 L379E369-P371 VanDerWaalsContact C-CD 3.44Å; E369-P371 WeakPolarHBondContact O-CD 3.31Å; E369-S378 CarbonylContact O-C 3.51Å; E369-S378 WeakPolarHBondContact O-CA 3.46Å; E369-L379 PolarHBondContact O-N 3.27Å
370D94.8Very high93.5Very high77 Ų7764.8 Ų64.841%0.41238%0.378SS..SBendtrans-117.767.2177.262-30.1000111.8P368 Y372 G373P368-D370 PolarHBondContact O-N 2.97Å; D370-Y372 PolarHBondContact O-N 3.14Å; D370-G373 WeakPolarHBondContact O-CA 3.36Å; D370-G373 PolarHBondContact O-N 3.21Å
371P92.7Very high93.6Very high16 Ų1668.9 Ų68.910%0.10440%0.397CS..THydrogen-bonded Turntrans-60.3-22.4-171.423.4-33.6000115.2L356 P368 E369L356-P371 HydrophobicContact CD2-CB 3.72Å; L356-P371 HydrophobicContact CD2-CG 3.87Å; P368-P371 HydrophobicContact CG-CB 4.37Å; E369-P371 VanDerWaalsContact C-CD 3.44Å; E369-P371 WeakPolarHBondContact O-CD 3.31Å
372Y91.6Very high93.9Very high74 Ų7465.8 Ų65.829%0.2938%0.375SS..THydrogen-bonded Turntrans-112.219.9175.7-57.4-84.1000112.5E352 T353 R354 L355 L356 D370 P377E352-Y372 WeakPolarHBondContact O-CE1 3.41Å; T353-Y372 PolarHBondContact O-OH 2.68Å; T353-Y372 VanDerWaalsContact O-OH 3.08Å; R354-Y372 WeakPolarHBondContact CA-OH 3.2Å; R354-Y372 PolarHBondContact N-OH 3.17Å; L355-Y372 PolarHBondContact N-OH 3.32Å; L355-Y372 VanDerWaalsContact N-OH 3.08Å; L355-Y372 PolarHBondContact O-OH 3.5Å; L356-Y372 HydrophobicContact CD2-CE2 3.76Å; D370-Y372 PolarHBondContact O-N 3.14Å; Y372-P377 HydrophobicContact CD2-CG 3.9Å; Y372-P377 HydrophobicContact CE2-CG 4.33Å
373G89.5Confident94.2Very high24 Ų2463.1 Ų63.125%0.24735%0.348CS..  trans77-179.4-174.700000114D370 K375 G376D370-G373 WeakPolarHBondContact O-CA 3.36Å; D370-G373 PolarHBondContact O-N 3.21Å; G373-K375 PolarHBondContact O-N 2.89Å; G373-G376 PolarHBondContact O-N 2.8Å
374P90.6Very high94.2Very high126 Ų12659.4 Ų59.482%0.81833%0.329SS*.THydrogen-bonded Turntrans-63.1-18.2-165.1-26.934.9000116.4
375K92.6Very high94.1Very high213 Ų21355.7 Ų55.793%0.92631%0.31SS*.THydrogen-bonded Turntrans-98.1-4.8179-61.7-174.5-180179.70112.9G373G373-K375 PolarHBondContact O-N 2.89Å
376G91.9Very high93.2Very high31 Ų3159 Ų5932%0.3234%0.335SS..SBendtrans-86175.9179.300000112.8G373G373-G376 PolarHBondContact O-N 2.8Å
377P93.9Very high91.2Very high56 Ų5660.4 Ų60.436%0.36434%0.342SS..  trans-63.3145.4169.627.8-34000110.7Y372 E381 C382Y372-P377 HydrophobicContact CD2-CG 3.9Å; Y372-P377 HydrophobicContact CE2-CG 4.33Å; P377-E381 WeakPolarHBondContact CA-OE2 3.22Å; P377-E381 HydrophobicContact CB-CB 3.94Å; P377-C382 VanDerWaalsContact CG-SG 3.58Å
378S95.2Very high88.9Confident41 Ų4163.6 Ų63.629%0.28737%0.365SS..  trans-60.9160.2168.263.60000111.3E369 S380 E381 C382E369-S378 CarbonylContact O-C 3.51Å; E369-S378 WeakPolarHBondContact O-CA 3.46Å; S378-S380 PolarHBondContact O-N 3.05Å; S378-E381 WeakPolarHBondContact CB-OE2 3.17Å; S378-E381 PolarHBondContact N-OE2 2.93Å; S378-E381 PolarHBondContact O-N 3.04Å; S378-E381 VanDerWaalsContact O-N 3.11Å; S378-E381 VanDerWaalsContact OG-CD 3.31Å; S378-E381 VanDerWaalsContact OG-CG 3.27Å; S378-E381 WeakPolarHBondContact OG-CG 3.35Å; S378-E381 PolarHBondContact OG-N 3.38Å; S378-E381 PolarHBondContact OG-OE2 2.83Å; S378-C382 PolarHBondContact O-N 3.31Å; S378-C382 PolarHBondContact O-SG 2.97Å
379L96.4Very high86Confident0 Ų067.4 Ų67.40%039%0.388CS..Hα-helixtrans-55.8-39.9173.8179.961.2000111.7Y265 L356 L367 E369 E381 C382 L383Y265-L379 VanDerWaalsContact OH-CD2 3.31Å; Y265-L379 WeakPolarHBondContact OH-CD2 3.46Å; L356-L379 HydrophobicContact CD1-CD1 4.17Å; L367-L379 HydrophobicContact CB-CD1 4.01Å; L367-L379 HydrophobicContact CB-CD2 3.81Å; L367-L379 HydrophobicContact CD2-CD1 3.68Å; E369-L379 PolarHBondContact O-N 3.27Å; L379-E381 PolarHBondContact O-N 2.9Å; L379-C382 PolarHBondContact O-N 3.48Å; L379-L383 HydrophobicContact CD1-CD1 3.73Å; L379-L383 HydrophobicContact CD1-CG 3.93Å; L379-L383 HydrophobicContact CD2-CD1 4.49Å; L379-L383 HydrophobicContact CG-CD1 3.82Å; L379-L383 HydrophobicContact CG-CG 4.34Å; L379-L383 WeakPolarHBondContact O-CB 3.23Å; L379-L383 WeakPolarHBondContact O-CG 3.39Å; L379-L383 PolarHBondContact O-N 3.1Å
380S95.1Very high82.7Confident63 Ų6371.7 Ų71.744%0.44141%0.405SS..Hα-helixtrans-63.1-40.1177.3-169.10000112.6S378 L383 T384S378-S380 PolarHBondContact O-N 3.05Å; S380-L383 PolarHBondContact O-N 3.03Å; S380-T384 WeakPolarHBondContact O-CB 3.21Å; S380-T384 WeakPolarHBondContact O-CG2 3.47Å; S380-T384 PolarHBondContact O-N 3.3Å; S380-T384 PolarHBondContact O-OG1 2.99Å
381E94.6Very high79.7Confident119 Ų11979.4 Ų79.456%0.55645%0.446SS*.Hα-helixtrans-67.3-40.1175.9-72.6164.1135.500111.5P377 S378 L379 L383 T384P377-E381 WeakPolarHBondContact CA-OE2 3.22Å; P377-E381 HydrophobicContact CB-CB 3.94Å; S378-E381 WeakPolarHBondContact CB-OE2 3.17Å; S378-E381 PolarHBondContact N-OE2 2.93Å; S378-E381 PolarHBondContact O-N 3.04Å; S378-E381 VanDerWaalsContact O-N 3.11Å; S378-E381 VanDerWaalsContact OG-CD 3.31Å; S378-E381 VanDerWaalsContact OG-CG 3.27Å; S378-E381 WeakPolarHBondContact OG-CG 3.35Å; S378-E381 PolarHBondContact OG-N 3.38Å; S378-E381 PolarHBondContact OG-OE2 2.83Å; L379-E381 PolarHBondContact O-N 2.9Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 2.77Å; E381-T384 PolarHBondContact O-N 2.81Å; E381-T384 PolarHBondContact O-OG1 2.9Å
382C95.6Very high79.1Confident11 Ų1182.6 Ų82.67%0.07446%0.463CS..Hα-helixtrans-61.3-41.1176-63.80000112.2R235 L356 P377 S378 L379 T384R235-C382 WeakPolarHBondContact CD-O 3.41Å; R235-C382 PolarHBondContact NE-O 2.83Å; R235-C382 VanDerWaalsContact NE-O 3.17Å; L356-C382 HydrophobicContact CD1-CB 4.18Å; L356-C382 HydrophobicContact CD2-CB 4Å; P377-C382 VanDerWaalsContact CG-SG 3.58Å; S378-C382 PolarHBondContact O-N 3.31Å; S378-C382 PolarHBondContact O-SG 2.97Å; L379-C382 PolarHBondContact O-N 3.48Å; C382-T384 VanDerWaalsContact C-N 3.32Å; C382-T384 PolarHBondContact O-N 3.5Å
383L96.6Very high78.4Confident1 Ų183.1 Ų83.11%0.00547%0.473CS..THydrogen-bonded Turntrans-85.4-0.1-175.2-64.2-178.7000113.9R235 I237 F266 V330 L356 L379 S380 E381R235-L383 WeakPolarHBondContact CB-O 3.35Å; R235-L383 PolarHBondContact N-O 3.05Å; I237-L383 HydrophobicContact CD1-CD2 3.67Å; F266-L383 HydrophobicContact CE1-CD1 4.38Å; F266-L383 HydrophobicContact CE1-CD2 4.16Å; V330-L383 HydrophobicContact CG2-CD2 3.8Å; L356-L383 HydrophobicContact CD1-CD2 3.71Å; L356-L383 HydrophobicContact CD1-CG 4.44Å; L379-L383 HydrophobicContact CD1-CD1 3.73Å; L379-L383 HydrophobicContact CD1-CG 3.93Å; L379-L383 HydrophobicContact CD2-CD1 4.49Å; L379-L383 HydrophobicContact CG-CD1 3.82Å; L379-L383 HydrophobicContact CG-CG 4.34Å; L379-L383 WeakPolarHBondContact O-CB 3.23Å; L379-L383 WeakPolarHBondContact O-CG 3.39Å; L379-L383 PolarHBondContact O-N 3.1Å; S380-L383 PolarHBondContact O-N 3.03Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 2.77Å
384T95.3Very high77.8Confident23 Ų2386.3 Ų86.314%0.14149%0.485CS..EExtended strand (participates in β ladder)trans-113.3154.9175.950.80000111.3L234 R235 S380 E381 C382L234-T384 HydrophobicContact CD2-CG2 4.1Å; R235-T384 PolarHBondContact NE-O 2.94Å; R235-T384 PolarHBondContact NH2-O 3.22Å; S380-T384 WeakPolarHBondContact O-CB 3.21Å; S380-T384 WeakPolarHBondContact O-CG2 3.47Å; S380-T384 PolarHBondContact O-N 3.3Å; S380-T384 PolarHBondContact O-OG1 2.99Å; E381-T384 PolarHBondContact O-N 2.81Å; E381-T384 PolarHBondContact O-OG1 2.9Å; C382-T384 VanDerWaalsContact C-N 3.32Å; C382-T384 PolarHBondContact O-N 3.5Å
385I90.5Very high77Confident21 Ų2184 Ų8411%0.10847%0.465CS..EExtended strand (participates in β ladder)trans-99.9107170.7-60.4171.8000106R233 R235R233-I385 PolarHBondContact O-N 2.6Å; R235-I385 HydrophobicContact CB-CD1 4.48Å; R235-I385 HydrophobicContact CB-CG1 3.95Å; R235-I385 HydrophobicContact CG-CG1 4.19Å
386S76.9Confident76.1Confident82 Ų8275.9 Ų75.957%0.57344%0.437SS*.  trans-70.5134.3171.153.50000109.5S388S386-S388 PolarHBondContact O-N 2.96Å; S386-S388 VanDerWaalsContact O-N 3.11Å; S386-S388 PolarHBondContact OG-OG 3.17Å
387N55.1Low75Confident123 Ų12378.9 Ų78.966%0.65844%0.444SS*.  trans-79.422.6177.3-74-24.6000112.8
388S48.3Very low73.7Confident76 Ų7680.6 Ų80.653%0.53145%0.45SS..  trans-92.3109-176.552.70000111.3S386S386-S388 PolarHBondContact O-N 2.96Å; S386-S388 VanDerWaalsContact O-N 3.11Å; S386-S388 PolarHBondContact OG-OG 3.17Å
389T32.8Very low72Confident123 Ų12383.6 Ų83.676%0.75546%0.463SS*.  trans61.8105.2154.246.70000116.8
390K27Very low70Confident206 Ų20690.6 Ų90.690%0.89650%0.501SS*.  32.489.785.6-81.1-164.4-178.3-176.30112.2
391D32Very low67.7Low239 Ų23993.1 Ų93.1100%1.27851%0.507SS*.  trans-128.50135.5-81.2-30.8000107.7

Retrieved 391 of 391 residues in 153.3 ms (Link to these results)

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