A0A3B3U8G1_9TELE Loading...

WD40 repeat-containing protein SMU1

AlphaFold DB , UniProt , Accession A0A3B3U8G1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 513 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
1M40Very low67.9Low236 Ų236108.3 Ų108.3100%1.16360%0.598SS**  0108.60-71.7-177.9-131.800106.8I3M1-I3 PolarHBondContact O-N 2.92Å
2S43.2Very low69Low97 Ų97106.5 Ų106.568%0.67858%0.576SS**  trans-65.9118.1167.238.40000107.1E4S2-E4 PolarHBondContact O-N 2.91Å
3I53.8Low70Confident160 Ų160100.8 Ų100.882%0.82155%0.545SS*.  trans-78.3102.4169.1-61.4170.1000104.6M1M1-I3 PolarHBondContact O-N 2.92Å
4E64Low70.8Confident164 Ų16498.6 Ų98.677%0.76653%0.531SS*.PPolyproline II helixtrans-86.4129.5175.3-70.8177.7-169.700108.7S2S2-E4 PolarHBondContact O-N 2.91Å
5V74.8Confident71.5Confident107 Ų10792 Ų9265%0.64850%0.496SS*.PPolyproline II helixtrans-94.2123.6174.8-179.10000107.3S7 V10V5-S7 PolarHBondContact O-N 3.39Å; V5-V10 HydrophobicContact CG1-CG2 3.7Å
6E78.9Confident72.2Confident131 Ų13187.6 Ų87.661%0.61247%0.471SS*.PPolyproline II helixtrans-64.7134.6175.7-69.4-170175.700110.7A8 D9 V10E6-A8 PolarHBondContact O-N 3.19Å; E6-D9 PolarHBondContact O-N 3.38Å; E6-D9 VanDerWaalsContact O-N 3.12Å; E6-V10 PolarHBondContact O-N 3.25Å
7S76.2Confident72.8Confident98 Ų9887.5 Ų87.569%0.68546%0.463SS*.Hα-helixtrans-60.3-33178.552.80000112.1V5 D9 V10 V11V5-S7 PolarHBondContact O-N 3.39Å; S7-D9 VanDerWaalsContact C-N 3.3Å; S7-D9 PolarHBondContact O-N 3.26Å; S7-V10 PolarHBondContact O-N 3.05Å; S7-V11 WeakPolarHBondContact O-CG2 3.47Å; S7-V11 PolarHBondContact O-N 3.35Å
8A77.8Confident73.3Confident27 Ų2783.7 Ų83.722%0.22344%0.443CS..Hα-helixtrans-60.6-38.3176.200000112.4E6 V11 R12E6-A8 PolarHBondContact O-N 3.19Å; A8-V11 PolarHBondContact O-N 3.31Å; A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.16Å; A8-R12 PolarHBondContact O-N 3.2Å
9D78.3Confident73.7Confident75 Ų7583.6 Ų83.640%0.40144%0.438SS..Hα-helixtrans-73.4-34.5-179.8-73.3-17.5000112.2E6 S7 V11 R12 L13E6-D9 PolarHBondContact O-N 3.38Å; E6-D9 VanDerWaalsContact O-N 3.12Å; S7-D9 VanDerWaalsContact C-N 3.3Å; S7-D9 PolarHBondContact O-N 3.26Å; D9-V11 VanDerWaalsContact C-N 3.34Å; D9-R12 PolarHBondContact O-N 3.12Å; D9-R12 IonicContact OD1-NH1 3.21Å; D9-R12 PolarHBondContact OD1-NH1 3.27Å; D9-L13 WeakPolarHBondContact O-CB 3.21Å; D9-L13 PolarHBondContact O-N 2.89Å
10V78.9Confident74.1Confident65 Ų6582.5 Ų82.539%0.39443%0.431SS..Hα-helixtrans-63.8-43.2171.9-177.20000110.5V5 E6 S7 L13 I14V5-V10 HydrophobicContact CG1-CG2 3.7Å; E6-V10 PolarHBondContact O-N 3.25Å; S7-V10 PolarHBondContact O-N 3.05Å; V10-L13 WeakPolarHBondContact O-CB 3.38Å; V10-L13 PolarHBondContact O-N 3.23Å; V10-I14 HydrophobicContact CG1-CD1 4.13Å; V10-I14 WeakPolarHBondContact O-CG1 3.32Å; V10-I14 PolarHBondContact O-N 3.22Å
11V81.6Confident74.6Confident31 Ų3182.2 Ų82.219%0.18843%0.43CS..Hα-helixtrans-62.9-45177.1172.10000111S7 A8 D9 L13 I14 M15 L30 T34 V36S7-V11 WeakPolarHBondContact O-CG2 3.47Å; S7-V11 PolarHBondContact O-N 3.35Å; A8-V11 PolarHBondContact O-N 3.31Å; D9-V11 VanDerWaalsContact C-N 3.34Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.23Å; V11-I14 PolarHBondContact O-N 3.31Å; V11-M15 HydrophobicContact CG1-CE 3.49Å; V11-M15 VanDerWaalsContact CG1-CE 3.49Å; V11-M15 HydrophobicContact CG1-CG 4.5Å; V11-M15 HydrophobicContact CG1-SD 4.14Å; V11-M15 WeakPolarHBondContact O-CG 3.47Å; V11-M15 PolarHBondContact O-N 3.45Å; V11-L30 HydrophobicContact CG1-CD2 4.42Å; V11-T34 HydrophobicContact CG1-CG2 4.11Å; V11-V36 HydrophobicContact CG1-CB 4.2Å; V11-V36 HydrophobicContact CG1-CG1 4.4Å
12R80.6Confident76.7Confident87 Ų8776.7 Ų76.733%0.32841%0.405SS..Hα-helixtrans-59.1-40.5174.5-73.4168.9177.1162.2-5.2112.2A8 D9 I14 M15 Q16 V36 L38A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.16Å; A8-R12 PolarHBondContact O-N 3.2Å; D9-R12 PolarHBondContact O-N 3.12Å; D9-R12 IonicContact OD1-NH1 3.21Å; D9-R12 PolarHBondContact OD1-NH1 3.27Å; R12-I14 VanDerWaalsContact C-N 3.35Å; R12-I14 PolarHBondContact O-N 3.14Å; R12-M15 PolarHBondContact O-N 3.25Å; R12-Q16 PolarHBondContact O-N 3.01Å; R12-V36 HydrophobicContact CG-CG1 3.95Å; R12-L38 HydrophobicContact CB-CD1 4.26Å; R12-L38 VanDerWaalsContact O-CD1 3.32Å; R12-L38 WeakPolarHBondContact O-CD1 3.44Å
13L81.6Confident78.7Confident33 Ų3375.8 Ų75.817%0.17339%0.392CS..Hα-helixtrans-64.6-38.7177.9-166.272.2000112.1D9 V10 V11 Y17 V156 R160 L161 L164D9-L13 WeakPolarHBondContact O-CB 3.21Å; D9-L13 PolarHBondContact O-N 2.89Å; V10-L13 WeakPolarHBondContact O-CB 3.38Å; V10-L13 PolarHBondContact O-N 3.23Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.23Å; L13-Y17 PolarHBondContact O-N 3.32Å; L13-Y17 VanDerWaalsContact O-N 3.14Å; L13-V156 HydrophobicContact CD1-CG1 4.1Å; L13-R160 HydrophobicContact CD1-CB 3.79Å; L13-R160 HydrophobicContact CD1-CG 3.74Å; L13-L161 HydrophobicContact CD1-CB 4.47Å; L13-L161 HydrophobicContact CD2-CB 4.23Å; L13-L161 HydrophobicContact CD2-CD1 3.65Å; L13-L161 HydrophobicContact CD2-CG 4.48Å; L13-L161 HydrophobicContact CG-CB 4Å; L13-L161 HydrophobicContact CG-CD1 3.81Å; L13-L164 HydrophobicContact CD2-CD1 3.93Å
14I81.7Confident80Confident69 Ų6973.9 Ų73.935%0.35438%0.379SS..Hα-helixtrans-69.2-43.8174.5-66.1166000110.6V10 V11 R12 Q16 Y17 L18 L30V10-I14 HydrophobicContact CG1-CD1 4.13Å; V10-I14 WeakPolarHBondContact O-CG1 3.32Å; V10-I14 PolarHBondContact O-N 3.22Å; V11-I14 PolarHBondContact O-N 3.31Å; R12-I14 VanDerWaalsContact C-N 3.35Å; R12-I14 PolarHBondContact O-N 3.14Å; I14-Q16 VanDerWaalsContact C-N 3.28Å; I14-Q16 PolarHBondContact O-N 3.45Å; I14-Y17 WeakPolarHBondContact O-CB 3.21Å; I14-Y17 PolarHBondContact O-N 2.88Å; I14-Y17 VanDerWaalsContact O-N 3.17Å; I14-L18 HydrophobicContact CG2-CD1 4.26Å; I14-L18 HydrophobicContact CG2-CG 4.48Å; I14-L18 WeakPolarHBondContact O-CG 3.34Å; I14-L18 PolarHBondContact O-N 2.89Å; I14-L30 HydrophobicContact CG2-CD2 4.11Å
15M81.8Confident81.1Confident0 Ų076.2 Ų76.20%038%0.381CS..Hα-helixtrans-57.7-42175.3-75.3177.4-179.300111.7V11 R12 L18 K19 L30 Q31 T34 V36 L38V11-M15 HydrophobicContact CG1-CE 3.49Å; V11-M15 VanDerWaalsContact CG1-CE 3.49Å; V11-M15 HydrophobicContact CG1-CG 4.5Å; V11-M15 HydrophobicContact CG1-SD 4.14Å; V11-M15 WeakPolarHBondContact O-CG 3.47Å; V11-M15 PolarHBondContact O-N 3.45Å; R12-M15 PolarHBondContact O-N 3.25Å; M15-L18 PolarHBondContact O-N 3.26Å; M15-K19 PolarHBondContact O-N 3.01Å; M15-L30 HydrophobicContact CE-CB 4.27Å; M15-L30 HydrophobicContact CE-CD2 3.73Å; M15-L30 HydrophobicContact CE-CG 3.91Å; M15-L30 HydrophobicContact CG-CD2 3.52Å; M15-Q31 HydrophobicContact CE-CB 4.28Å; M15-Q31 HydrophobicContact CE-CG 3.65Å; M15-Q31 HydrophobicContact SD-CG 3.82Å; M15-T34 VanDerWaalsContact CE-OG1 3.28Å; M15-T34 WeakPolarHBondContact CE-OG1 3.25Å; M15-V36 HydrophobicContact CE-CB 4.38Å; M15-V36 VanDerWaalsContact CE-O 3.23Å; M15-V36 WeakPolarHBondContact CE-O 3.33Å; M15-L38 HydrophobicContact CB-CB 4.14Å; M15-L38 HydrophobicContact CB-CD1 3.8Å; M15-L38 HydrophobicContact CB-CD2 4.41Å; M15-L38 HydrophobicContact CB-CG 4.32Å; M15-L38 HydrophobicContact SD-CB 4.11Å
16Q81.6Confident81.7Confident22 Ų2274.4 Ų74.410%0.10337%0.371CS..Hα-helixtrans-62.7-44.4175.7-177.964.511.400111.7R12 I14 L18 K19 E20 L38 V156R12-Q16 PolarHBondContact O-N 3.01Å; I14-Q16 VanDerWaalsContact C-N 3.28Å; I14-Q16 PolarHBondContact O-N 3.45Å; Q16-L18 VanDerWaalsContact C-N 3.32Å; Q16-L18 PolarHBondContact O-N 3.26Å; Q16-K19 WeakPolarHBondContact O-CB 3.44Å; Q16-K19 PolarHBondContact O-N 2.64Å; Q16-E20 PolarHBondContact NE2-OE1 3.31Å; Q16-E20 WeakPolarHBondContact O-CG 3.19Å; Q16-E20 PolarHBondContact O-N 3.29Å; Q16-L38 HydrophobicContact CB-CD1 4.41Å; Q16-V156 HydrophobicContact CB-CB 4.25Å; Q16-V156 HydrophobicContact CB-CG1 3.86Å; Q16-V156 HydrophobicContact CG-CB 4.01Å; Q16-V156 HydrophobicContact CG-CG1 3.71Å
17Y82.7Confident81.9Confident86 Ų8669.3 Ų69.334%0.33735%0.347SS..Hα-helixtrans-61.3-39.5175.6178.5-98.6000112.6L13 I14 K19 E20 N21 L161 M162L13-Y17 PolarHBondContact O-N 3.32Å; L13-Y17 VanDerWaalsContact O-N 3.14Å; I14-Y17 WeakPolarHBondContact O-CB 3.21Å; I14-Y17 PolarHBondContact O-N 2.88Å; I14-Y17 VanDerWaalsContact O-N 3.17Å; Y17-K19 VanDerWaalsContact C-N 3.34Å; Y17-E20 PolarHBondContact O-N 3.49Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.45Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.44Å; Y17-N21 PolarHBondContact O-N 3.29Å; Y17-N21 PolarHBondContact O-ND2 3.25Å; Y17-L161 HydrophobicContact CD1-CD2 4.34Å; Y17-L161 HydrophobicContact CD2-CD2 3.79Å; Y17-L161 HydrophobicContact CE2-CD2 4.35Å; Y17-L161 HydrophobicContact CG-CD2 3.78Å; Y17-M162 HydrophobicContact CE2-CE 4.05Å
18L82.6Confident82.2Confident18 Ų1866.5 Ų66.59%0.09433%0.33CS..Hα-helixtrans-65.4-38.3175.2-68.6173.2000111.9I14 M15 Q16 N21 N22 L23 T26 L27 L30I14-L18 HydrophobicContact CG2-CD1 4.26Å; I14-L18 HydrophobicContact CG2-CG 4.48Å; I14-L18 WeakPolarHBondContact O-CG 3.34Å; I14-L18 PolarHBondContact O-N 2.89Å; M15-L18 PolarHBondContact O-N 3.26Å; Q16-L18 VanDerWaalsContact C-N 3.32Å; Q16-L18 PolarHBondContact O-N 3.26Å; L18-N21 PolarHBondContact O-N 3.27Å; L18-N22 PolarHBondContact O-N 3.46Å; L18-L23 HydrophobicContact CB-CB 4.46Å; L18-L23 HydrophobicContact CD2-CB 4.08Å; L18-L23 HydrophobicContact CD2-CD1 3.74Å; L18-L23 PolarHBondContact O-N 3.02Å; L18-T26 HydrophobicContact CD1-CG2 4.11Å; L18-T26 HydrophobicContact CD2-CG2 4.16Å; L18-L27 HydrophobicContact CB-CB 4.24Å; L18-L30 HydrophobicContact CD1-CD2 4.14Å
19K80.8Confident82.6Confident82 Ų8268.3 Ų68.336%0.35734%0.338SS..Hα-helixtrans-63.6-46.2175.5-172.6175.3174.9179.80111.4M15 Q16 Y17 N21 N22 L27 L38 T40M15-K19 PolarHBondContact O-N 3.01Å; Q16-K19 WeakPolarHBondContact O-CB 3.44Å; Q16-K19 PolarHBondContact O-N 2.64Å; Y17-K19 VanDerWaalsContact C-N 3.34Å; K19-N21 VanDerWaalsContact C-N 3.27Å; K19-N21 PolarHBondContact O-N 2.93Å; K19-N22 PolarHBondContact O-N 2.91Å; K19-L27 HydrophobicContact CB-CD1 3.76Å; K19-L27 HydrophobicContact CG-CD1 4.44Å; K19-L38 HydrophobicContact CD-CD2 3.88Å; K19-T40 PolarHBondContact NZ-OG1 3.45Å
20E81.7Confident83Confident62 Ų6267 Ų6729%0.2933%0.331SS..Hα-helixtrans-59.9-34.9177.6-75.4172.5-155.600113.2Q16 Y17 N22 P158 S159Q16-E20 PolarHBondContact NE2-OE1 3.31Å; Q16-E20 WeakPolarHBondContact O-CG 3.19Å; Q16-E20 PolarHBondContact O-N 3.29Å; Y17-E20 PolarHBondContact O-N 3.49Å; E20-N22 VanDerWaalsContact C-N 3.33Å; E20-P158 WeakPolarHBondContact OE1-CA 3.43Å; E20-S159 PolarHBondContact OE1-N 3.07Å; E20-S159 PolarHBondContact OE2-N 3.24Å; E20-S159 VanDerWaalsContact OE2-N 3.12Å
21N83.6Confident83.2Confident76 Ų7665.5 Ų65.541%0.40632%0.32SS..THydrogen-bonded Turntrans-91.411.2-179.4-67.5-66.4000113.9Y17 L18 K19 L23Y17-N21 WeakPolarHBondContact CE1-ND2 3.45Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.44Å; Y17-N21 PolarHBondContact O-N 3.29Å; Y17-N21 PolarHBondContact O-ND2 3.25Å; L18-N21 PolarHBondContact O-N 3.27Å; K19-N21 VanDerWaalsContact C-N 3.27Å; K19-N21 PolarHBondContact O-N 2.93Å; N21-L23 VanDerWaalsContact C-N 3.26Å; N21-L23 HydrophobicContact CB-CD1 4.17Å; N21-L23 HydrophobicContact CB-CG 4.16Å; N21-L23 PolarHBondContact O-N 3.42Å
22N84.3Confident83.4Confident121 Ų12171 Ų7165%0.64734%0.343SS*.THydrogen-bonded Turntrans58.131.9-179.5-57.1-50.9000114.3L18 K19 E20 H24L18-N22 PolarHBondContact O-N 3.46Å; K19-N22 PolarHBondContact O-N 2.91Å; E20-N22 VanDerWaalsContact C-N 3.33Å; N22-H24 PolarHBondContact O-CD2 3.16Å; N22-H24 PolarHBondContact O-N 3.45Å
23L85.6Confident83.7Confident78 Ų7875 Ų7541%0.40837%0.366SS..  trans-92.562.2-179.7-62.8174.6000111.5L18 N21 R25 T26 L27L18-L23 HydrophobicContact CB-CB 4.46Å; L18-L23 HydrophobicContact CD2-CB 4.08Å; L18-L23 HydrophobicContact CD2-CD1 3.74Å; L18-L23 PolarHBondContact O-N 3.02Å; N21-L23 VanDerWaalsContact C-N 3.26Å; N21-L23 HydrophobicContact CB-CD1 4.17Å; N21-L23 HydrophobicContact CB-CG 4.16Å; N21-L23 PolarHBondContact O-N 3.42Å; L23-R25 PolarHBondContact O-N 3.04Å; L23-T26 PolarHBondContact O-N 3.06Å; L23-L27 PolarHBondContact O-N 3.49Å; L23-L27 VanDerWaalsContact O-N 3.1Å
24H82.3Confident83.6Confident119 Ų11975.5 Ų75.555%0.55137%0.37SS*.Hα-helixtrans-62.4-36.4-170.5-59.1-65.4000114.6N22 L27 A28N22-H24 PolarHBondContact O-CD2 3.16Å; N22-H24 PolarHBondContact O-N 3.45Å; H24-L27 PolarHBondContact O-N 3.43Å; H24-A28 PolarHBondContact O-N 2.75Å
25R86.6Confident83.6Confident214 Ų21478.4 Ų78.481%0.80839%0.392SS*.Hα-helixtrans-64.4-46.4179.3-174.1177.4-179.1178.80.6111.5L23 L27 A28 T29L23-R25 PolarHBondContact O-N 3.04Å; R25-L27 VanDerWaalsContact C-N 3.32Å; R25-A28 PolarHBondContact O-N 3.24Å; R25-T29 WeakPolarHBondContact O-CG2 3.27Å; R25-T29 PolarHBondContact O-N 3.19Å; R25-T29 VanDerWaalsContact O-N 3.08Å; R25-T29 PolarHBondContact O-OG1 2.93Å
26T85.9Confident83.5Confident69 Ų6979.9 Ų79.942%0.42340%0.4SS..Hα-helixtrans-68.1-35.7-179.3-42.50000111.4L18 L23 T29 L30L18-T26 HydrophobicContact CD1-CG2 4.11Å; L18-T26 HydrophobicContact CD2-CG2 4.16Å; L23-T26 PolarHBondContact O-N 3.06Å; T26-T29 WeakPolarHBondContact CA-OG1 3.36Å; T26-T29 PolarHBondContact O-OG1 3.4Å; T26-L30 VanDerWaalsContact O-CB 3.29Å; T26-L30 WeakPolarHBondContact O-CB 3.32Å; T26-L30 PolarHBondContact O-N 2.97Å
27L83.8Confident83.1Confident24 Ų2481 Ų8113%0.12641%0.411CS..Hα-helixtrans-63-46.6173.9-178.8152.5000111.4L18 K19 L23 H24 R25 L30 Q31L18-L27 HydrophobicContact CB-CB 4.24Å; K19-L27 HydrophobicContact CB-CD1 3.76Å; K19-L27 HydrophobicContact CG-CD1 4.44Å; L23-L27 PolarHBondContact O-N 3.49Å; L23-L27 VanDerWaalsContact O-N 3.1Å; H24-L27 PolarHBondContact O-N 3.43Å; R25-L27 VanDerWaalsContact C-N 3.32Å; L27-L30 PolarHBondContact O-N 2.86Å; L27-Q31 HydrophobicContact CD2-CG 4.31Å; L27-Q31 WeakPolarHBondContact O-CG 3.25Å; L27-Q31 PolarHBondContact O-N 3.43Å
28A82.4Confident82.6Confident38 Ų3877.6 Ų77.631%0.31440%0.398SS..Hα-helixtrans-61.6-47.5178.700000111.7H24 R25 L30 Q31 E32H24-A28 PolarHBondContact O-N 2.75Å; R25-A28 PolarHBondContact O-N 3.24Å; A28-L30 VanDerWaalsContact C-N 3.31Å; A28-L30 PolarHBondContact O-N 3.34Å; A28-Q31 PolarHBondContact O-N 2.96Å; A28-E32 WeakPolarHBondContact O-CG 3.35Å; A28-E32 PolarHBondContact O-N 2.8Å
29T87.3Confident82.2Confident65 Ų6577.3 Ų77.340%0.39940%0.397SS..Hα-helixtrans-61.7-39.3177.251.70000112.1R25 T26 E32 E33R25-T29 WeakPolarHBondContact O-CG2 3.27Å; R25-T29 PolarHBondContact O-N 3.19Å; R25-T29 VanDerWaalsContact O-N 3.08Å; R25-T29 PolarHBondContact O-OG1 2.93Å; T26-T29 WeakPolarHBondContact CA-OG1 3.36Å; T26-T29 PolarHBondContact O-OG1 3.4Å; T29-E32 PolarHBondContact O-N 3.03Å; T29-E33 WeakPolarHBondContact O-CB 3.43Å; T29-E33 VanDerWaalsContact O-CG 3.22Å; T29-E33 WeakPolarHBondContact O-CG 3.47Å; T29-E33 PolarHBondContact O-N 3.35Å
30L85.4Confident81.9Confident48 Ų4874.1 Ų74.125%0.25138%0.384SS..Hα-helixtrans-66.3-40.8178.5-164.984.4000111V11 I14 M15 L18 T26 L27 A28 E33 T34V11-L30 HydrophobicContact CG1-CD2 4.42Å; I14-L30 HydrophobicContact CG2-CD2 4.11Å; M15-L30 HydrophobicContact CE-CB 4.27Å; M15-L30 HydrophobicContact CE-CD2 3.73Å; M15-L30 HydrophobicContact CE-CG 3.91Å; M15-L30 HydrophobicContact CG-CD2 3.52Å; L18-L30 HydrophobicContact CD1-CD2 4.14Å; T26-L30 VanDerWaalsContact O-CB 3.29Å; T26-L30 WeakPolarHBondContact O-CB 3.32Å; T26-L30 PolarHBondContact O-N 2.97Å; L27-L30 PolarHBondContact O-N 2.86Å; A28-L30 VanDerWaalsContact C-N 3.31Å; A28-L30 PolarHBondContact O-N 3.34Å; L30-E33 PolarHBondContact O-N 3.47Å; L30-T34 HydrophobicContact CD1-CG2 4.43Å; L30-T34 HydrophobicContact CG-CG2 4.28Å; L30-T34 WeakPolarHBondContact O-CB 3.47Å; L30-T34 WeakPolarHBondContact O-CG2 2.93Å; L30-T34 PolarHBondContact O-N 2.78Å; L30-T34 PolarHBondContact O-OG1 3.43Å
31Q83.9Confident81.4Confident34 Ų3472.2 Ų72.216%0.15938%0.377CS..Hα-helixtrans-65.5-37.4176.9-74.3-177.1-11.200112.9M15 L27 A28 T35M15-Q31 HydrophobicContact CE-CB 4.28Å; M15-Q31 HydrophobicContact CE-CG 3.65Å; M15-Q31 HydrophobicContact SD-CG 3.82Å; L27-Q31 HydrophobicContact CD2-CG 4.31Å; L27-Q31 WeakPolarHBondContact O-CG 3.25Å; L27-Q31 PolarHBondContact O-N 3.43Å; A28-Q31 PolarHBondContact O-N 2.96Å; Q31-T35 WeakPolarHBondContact O-CA 3.44Å; Q31-T35 PolarHBondContact O-N 2.98Å; Q31-T35 VanDerWaalsContact O-N 3.1Å
32E84.8Confident80.8Confident146 Ų14676.4 Ų76.468%0.68240%0.399SS*.Hα-helixtrans-66.7-45.9175.8-73.4172.6-174.500111.5A28 T29A28-E32 WeakPolarHBondContact O-CG 3.35Å; A28-E32 PolarHBondContact O-N 2.8Å; T29-E32 PolarHBondContact O-N 3.03Å
33E87.2Confident80.6Confident171 Ų17172.5 Ų72.580%0.79938%0.381SS*.Hα-helixtrans-70.5-43-178.1-72.3-90.9150.600112.6T29 L30T29-E33 WeakPolarHBondContact O-CB 3.43Å; T29-E33 VanDerWaalsContact O-CG 3.22Å; T29-E33 WeakPolarHBondContact O-CG 3.47Å; T29-E33 PolarHBondContact O-N 3.35Å; L30-E33 PolarHBondContact O-N 3.47Å
34T80.8Confident80.4Confident44 Ų4471.6 Ų71.627%0.2738%0.376SS..Hα-helixtrans-90-9.8-175.268.50000113.3V11 M15 L30 V36V11-T34 HydrophobicContact CG1-CG2 4.11Å; M15-T34 VanDerWaalsContact CE-OG1 3.28Å; M15-T34 WeakPolarHBondContact CE-OG1 3.25Å; L30-T34 HydrophobicContact CD1-CG2 4.43Å; L30-T34 HydrophobicContact CG-CG2 4.28Å; L30-T34 WeakPolarHBondContact O-CB 3.47Å; L30-T34 WeakPolarHBondContact O-CG2 2.93Å; L30-T34 PolarHBondContact O-N 2.78Å; L30-T34 PolarHBondContact O-OG1 3.43Å; T34-V36 PolarHBondContact O-N 3.33Å
35T80.9Confident80.4Confident130 Ų13073.8 Ų73.880%0.79839%0.387SS*.  trans56.75.8-172.666.30000115.1Q31Q31-T35 WeakPolarHBondContact O-CA 3.44Å; Q31-T35 PolarHBondContact O-N 2.98Å; Q31-T35 VanDerWaalsContact O-N 3.1Å
36V79.2Confident80.3Confident31 Ų3166.1 Ų66.119%0.18837%0.366CS..  trans-90120.7178.8176.50000108.2V11 R12 M15 T34V11-V36 HydrophobicContact CG1-CB 4.2Å; V11-V36 HydrophobicContact CG1-CG1 4.4Å; R12-V36 HydrophobicContact CG-CG1 3.95Å; M15-V36 HydrophobicContact CE-CB 4.38Å; M15-V36 VanDerWaalsContact CE-O 3.23Å; M15-V36 WeakPolarHBondContact CE-O 3.33Å; T34-V36 PolarHBondContact O-N 3.33Å
37S73.6Confident80.2Confident46 Ų4663.1 Ų63.132%0.32235%0.347SS..  trans-87.6144172.454.90000111.2
38L72.1Confident80.3Confident13 Ų1363.7 Ų63.77%0.06835%0.352CS..  trans-96.990.7171.7-17594.5000108.8R12 M15 Q16 K19 T40R12-L38 HydrophobicContact CB-CD1 4.26Å; R12-L38 VanDerWaalsContact O-CD1 3.32Å; R12-L38 WeakPolarHBondContact O-CD1 3.44Å; M15-L38 HydrophobicContact CB-CB 4.14Å; M15-L38 HydrophobicContact CB-CD1 3.8Å; M15-L38 HydrophobicContact CB-CD2 4.41Å; M15-L38 HydrophobicContact CB-CG 4.32Å; M15-L38 HydrophobicContact SD-CB 4.11Å; Q16-L38 HydrophobicContact CB-CD1 4.41Å; K19-L38 HydrophobicContact CD-CD2 3.88Å; L38-T40 HydrophobicContact CD1-CG2 3.75Å; L38-T40 HydrophobicContact CD2-CG2 3.84Å; L38-T40 HydrophobicContact CG-CG2 3.56Å; L38-T40 PolarHBondContact O-N 3.26Å
39N75.3Confident80.5Confident13 Ų1364.2 Ų64.27%0.0736%0.356CS..  trans-91.486.8172.2-70.4-15.8000109.1L66 K67 E152 S154N39-L66 HydrophobicContact CB-CD2 3.97Å; N39-K67 PolarHBondContact ND2-O 3.35Å; N39-K67 PolarHBondContact OD1-N 3.08Å; N39-K67 VanDerWaalsContact OD1-N 3.12Å; N39-K67 PolarHBondContact OD1-O 3.01Å; N39-E152 WeakPolarHBondContact CB-O 3.47Å; N39-E152 PolarHBondContact ND2-O 3.46Å; N39-S154 PolarHBondContact O-N 3.33Å; N39-S154 PolarHBondContact O-OG 2.93Å
40T72.6Confident80.5Confident14 Ų1463.6 Ų63.69%0.08635%0.35CS..BIsolated β-bridgetrans-110.4133.7-178.7550000112.4K19 L38 S154 V156K19-T40 PolarHBondContact NZ-OG1 3.45Å; L38-T40 HydrophobicContact CD1-CG2 3.75Å; L38-T40 HydrophobicContact CD2-CG2 3.84Å; L38-T40 HydrophobicContact CG-CG2 3.56Å; L38-T40 PolarHBondContact O-N 3.26Å; T40-S154 VanDerWaalsContact CA-O 3.28Å; T40-S154 WeakPolarHBondContact CA-O 3.44Å; T40-V156 HydrophobicContact CG2-CB 4.29Å; T40-V156 HydrophobicContact CG2-CG2 4.04Å
41V72.3Confident80.6Confident22 Ų2261.3 Ų61.313%0.13334%0.338CS..  trans-123.1155.2168.5-179.60000109.2S43 F47 L66 V153 S154V41-S43 VanDerWaalsContact C-N 3.33Å; V41-S43 PolarHBondContact O-N 3.04Å; V41-F47 HydrophobicContact CG1-CB 3.94Å; V41-F47 HydrophobicContact CG1-CD2 4.27Å; V41-F47 HydrophobicContact CG1-CG 4.18Å; V41-L66 HydrophobicContact CG2-CD1 4Å; V41-L66 HydrophobicContact CG2-CD2 4.44Å; V41-V153 HydrophobicContact CB-CG1 3.66Å; V41-V153 HydrophobicContact CG2-CB 4.49Å; V41-V153 HydrophobicContact CG2-CG1 3.38Å; V41-V153 HydrophobicContact CG2-CG2 4.27Å; V41-S154 PolarHBondContact N-O 3.02Å
42D71.2Confident80.7Confident164 Ų16462.8 Ų62.888%0.87735%0.347SS*.SBendtrans-64.4-36.7-176.3-65.5-32.9000112.7
43S79.6Confident80.7Confident40 Ų4058.6 Ų58.628%0.2833%0.334SS..  trans-153.9130.8171.61700000110.7V41 E45 S46 F47V41-S43 VanDerWaalsContact C-N 3.33Å; V41-S43 PolarHBondContact O-N 3.04Å; S43-E45 VanDerWaalsContact C-N 3.29Å; S43-E45 PolarHBondContact OG-N 3.1Å; S43-S46 WeakPolarHBondContact CB-OG 3.23Å; S43-S46 PolarHBondContact O-OG 3.32Å; S43-S46 VanDerWaalsContact O-OG 3.11Å; S43-S46 PolarHBondContact OG-N 3.29Å; S43-F47 VanDerWaalsContact O-CB 3.32Å; S43-F47 WeakPolarHBondContact O-CB 3.4Å; S43-F47 PolarHBondContact O-N 2.95Å; S43-F47 VanDerWaalsContact O-N 3.13Å
44I80.6Confident80.5Confident59 Ų5951.3 Ų51.330%0.30331%0.305SS..Hα-helixtrans-65.8-37.4174.4-70.4153.1000110.1F47 V48 A150 V153 V155I44-F47 PolarHBondContact O-N 2.82Å; I44-V48 HydrophobicContact CG2-CG2 4.1Å; I44-V48 WeakPolarHBondContact O-CB 3.5Å; I44-V48 VanDerWaalsContact O-CG2 3.22Å; I44-V48 WeakPolarHBondContact O-CG2 3.33Å; I44-V48 PolarHBondContact O-N 3.33Å; I44-A150 HydrophobicContact CG2-CB 4.05Å; I44-V153 HydrophobicContact CG1-CG1 4.45Å; I44-V155 HydrophobicContact CB-CG2 4.4Å; I44-V155 HydrophobicContact CD1-CB 4.35Å; I44-V155 HydrophobicContact CD1-CG2 3.52Å; I44-V155 HydrophobicContact CG1-CG2 3.54Å
45E83.3Confident80.8Confident164 Ų16454.6 Ų54.677%0.76632%0.317SS*.Hα-helixtrans-67.1-42.8-177.9-65.1179.6-178.600111.7S43 A49S43-E45 VanDerWaalsContact C-N 3.29Å; S43-E45 PolarHBondContact OG-N 3.1Å; E45-A49 VanDerWaalsContact O-CB 3.27Å; E45-A49 WeakPolarHBondContact O-CB 3.46Å; E45-A49 PolarHBondContact O-N 3.01Å
46S84.6Confident81Confident54 Ų5449.6 Ų49.638%0.37828%0.284SS..Hα-helixtrans-67.8-41.7176.265.30000111.1S43 V48 A49 D50S43-S46 WeakPolarHBondContact CB-OG 3.23Å; S43-S46 PolarHBondContact O-OG 3.32Å; S43-S46 VanDerWaalsContact O-OG 3.11Å; S43-S46 PolarHBondContact OG-N 3.29Å; S46-V48 PolarHBondContact O-N 3.23Å; S46-A49 WeakPolarHBondContact O-CB 3.35Å; S46-A49 PolarHBondContact O-N 3.45Å; S46-D50 WeakPolarHBondContact O-CB 3.19Å; S46-D50 PolarHBondContact O-N 3.33Å
47F83.9Confident81.3Confident5 Ų554.4 Ų54.42%0.02231%0.308CS..Hα-helixtrans-63.4-43178.7-175.8-110.5000112.5V41 S43 I44 A49 D50 I51 V59 A62 I63 L149V41-F47 HydrophobicContact CG1-CB 3.94Å; V41-F47 HydrophobicContact CG1-CD2 4.27Å; V41-F47 HydrophobicContact CG1-CG 4.18Å; S43-F47 VanDerWaalsContact O-CB 3.32Å; S43-F47 WeakPolarHBondContact O-CB 3.4Å; S43-F47 PolarHBondContact O-N 2.95Å; S43-F47 VanDerWaalsContact O-N 3.13Å; I44-F47 PolarHBondContact O-N 2.82Å; F47-A49 VanDerWaalsContact C-N 3.34Å; F47-D50 PolarHBondContact O-N 3Å; F47-I51 HydrophobicContact CD1-CD1 3.87Å; F47-I51 HydrophobicContact CE1-CD1 3.53Å; F47-I51 HydrophobicContact CE2-CD1 4.39Å; F47-I51 HydrophobicContact CG-CD1 4.45Å; F47-I51 HydrophobicContact CZ-CD1 3.81Å; F47-I51 WeakPolarHBondContact O-CG1 3.45Å; F47-I51 PolarHBondContact O-N 3.32Å; F47-I51 VanDerWaalsContact O-N 3.11Å; F47-V59 HydrophobicContact CE2-CG1 4.27Å; F47-V59 HydrophobicContact CZ-CG1 4.48Å; F47-A62 HydrophobicContact CD2-CB 4.31Å; F47-A62 HydrophobicContact CE2-CB 3.93Å; F47-I63 HydrophobicContact CE2-CG1 4.49Å; F47-I63 HydrophobicContact CZ-CD1 4.44Å; F47-I63 HydrophobicContact CZ-CG1 4.16Å; F47-L149 HydrophobicContact CE1-CB 4Å
48V86.2Confident81.8Confident37 Ų3755.2 Ų55.222%0.22431%0.311CS..Hα-helixtrans-65-39.4174.2167.90000111I44 S46 I51 N52 A146 A150I44-V48 HydrophobicContact CG2-CG2 4.1Å; I44-V48 WeakPolarHBondContact O-CB 3.5Å; I44-V48 VanDerWaalsContact O-CG2 3.22Å; I44-V48 WeakPolarHBondContact O-CG2 3.33Å; I44-V48 PolarHBondContact O-N 3.33Å; S46-V48 PolarHBondContact O-N 3.23Å; V48-I51 PolarHBondContact O-N 3.27Å; V48-N52 WeakPolarHBondContact CG1-ND2 3.5Å; V48-N52 WeakPolarHBondContact O-CB 3.32Å; V48-N52 VanDerWaalsContact O-CG 3.25Å; V48-N52 PolarHBondContact O-N 3.01Å; V48-N52 PolarHBondContact O-ND2 3.35Å; V48-A146 HydrophobicContact CG1-CB 4.12Å; V48-A146 HydrophobicContact CG2-CB 4.49Å; V48-A150 HydrophobicContact CG2-CB 3.89Å
49A86.6Confident82.4Confident49 Ų4954.6 Ų54.641%0.40531%0.308SS..Hα-helixtrans-64.4-40.1175.600000112.3E45 S46 F47 N52 S53E45-A49 VanDerWaalsContact O-CB 3.27Å; E45-A49 WeakPolarHBondContact O-CB 3.46Å; E45-A49 PolarHBondContact O-N 3.01Å; S46-A49 WeakPolarHBondContact O-CB 3.35Å; S46-A49 PolarHBondContact O-N 3.45Å; F47-A49 VanDerWaalsContact C-N 3.34Å; A49-N52 PolarHBondContact O-N 3.33Å; A49-S53 VanDerWaalsContact O-CB 3.29Å; A49-S53 WeakPolarHBondContact O-CB 3.43Å; A49-S53 PolarHBondContact O-N 2.8Å; A49-S53 PolarHBondContact O-OG 2.93Å
50D86.9Confident82.9Confident51 Ų5155.9 Ų55.927%0.27331%0.314SS..Hα-helixtrans-64.1-41177.7-71.6-10.7000111.6S46 F47 S53 G54 H55 T58 V59S46-D50 WeakPolarHBondContact O-CB 3.19Å; S46-D50 PolarHBondContact O-N 3.33Å; F47-D50 PolarHBondContact O-N 3Å; D50-S53 WeakPolarHBondContact CA-OG 3.4Å; D50-S53 PolarHBondContact O-OG 2.93Å; D50-S53 VanDerWaalsContact O-OG 3.04Å; D50-G54 PolarHBondContact O-N 3.29Å; D50-H55 PolarHBondContact O-N 3.36Å; D50-T58 PolarHBondContact OD2-OG1 3.27Å; D50-V59 HydrophobicContact CB-CG2 3.89Å
51I86.4Confident83.5Confident0 Ų062 Ų620%034%0.342CS..Hα-helixtrans-66.5-45.5174.6-63.6162.8000110.9F47 V48 S53 G54 W56 V59 A146 L149F47-I51 HydrophobicContact CD1-CD1 3.87Å; F47-I51 HydrophobicContact CE1-CD1 3.53Å; F47-I51 HydrophobicContact CE2-CD1 4.39Å; F47-I51 HydrophobicContact CG-CD1 4.45Å; F47-I51 HydrophobicContact CZ-CD1 3.81Å; F47-I51 WeakPolarHBondContact O-CG1 3.45Å; F47-I51 PolarHBondContact O-N 3.32Å; F47-I51 VanDerWaalsContact O-N 3.11Å; V48-I51 PolarHBondContact O-N 3.27Å; I51-S53 VanDerWaalsContact C-N 3.31Å; I51-S53 PolarHBondContact O-N 3.01Å; I51-G54 PolarHBondContact O-N 2.72Å; I51-W56 HydrophobicContact CG2-CH2 4.28Å; I51-W56 HydrophobicContact CG2-CZ3 4.35Å; I51-V59 HydrophobicContact CG1-CG1 3.91Å; I51-V59 HydrophobicContact CG1-CG2 3.72Å; I51-A146 HydrophobicContact CB-CB 4.06Å; I51-A146 HydrophobicContact CD1-CB 4.24Å; I51-A146 HydrophobicContact CG2-CB 3.79Å; I51-L149 HydrophobicContact CD1-CB 4.47Å; I51-L149 HydrophobicContact CD1-CD1 3.75Å
52N87.6Confident83.9Confident66 Ų6662.2 Ų62.235%0.35335%0.346SS..Hα-helixtrans-66-35-179.4-74.7-28.5000112.2V48 A49 R142V48-N52 WeakPolarHBondContact CG1-ND2 3.5Å; V48-N52 WeakPolarHBondContact O-CB 3.32Å; V48-N52 VanDerWaalsContact O-CG 3.25Å; V48-N52 PolarHBondContact O-N 3.01Å; V48-N52 PolarHBondContact O-ND2 3.35Å; A49-N52 PolarHBondContact O-N 3.33Å; N52-R142 WeakPolarHBondContact O-CD 3.37Å; N52-R142 PolarHBondContact O-NH1 3.08Å
53S84.8Confident84.5Confident58 Ų5854.6 Ų54.641%0.40631%0.306SS..Hα-helixtrans-78.4-23.5175.955.60000113A49 D50 I51 H55 R142A49-S53 VanDerWaalsContact O-CB 3.29Å; A49-S53 WeakPolarHBondContact O-CB 3.43Å; A49-S53 PolarHBondContact O-N 2.8Å; A49-S53 PolarHBondContact O-OG 2.93Å; D50-S53 WeakPolarHBondContact CA-OG 3.4Å; D50-S53 PolarHBondContact O-OG 2.93Å; D50-S53 VanDerWaalsContact O-OG 3.04Å; I51-S53 VanDerWaalsContact C-N 3.31Å; I51-S53 PolarHBondContact O-N 3.01Å; S53-H55 WeakPolarHBondContact CB-ND1 3.38Å; S53-H55 PolarHBondContact OG-ND1 3.34Å; S53-R142 PolarHBondContact O-NH1 2.78Å
54G82.7Confident84.5Confident18 Ų1861.1 Ų61.119%0.18633%0.332CS..THydrogen-bonded Turntrans86.328.5177.500000113.7D50 I51 W56D50-G54 PolarHBondContact O-N 3.29Å; I51-G54 PolarHBondContact O-N 2.72Å; G54-W56 VanDerWaalsContact O-CD1 3.23Å; G54-W56 PolarHBondContact O-N 3.49Å
55H86.9Confident84.2Confident113 Ų11362.3 Ų62.352%0.52335%0.345SS..  trans-7972.7172.7-68.891.9000109.8D50 S53 D57 T58 V59D50-H55 PolarHBondContact O-N 3.36Å; S53-H55 WeakPolarHBondContact CB-ND1 3.38Å; S53-H55 PolarHBondContact OG-ND1 3.34Å; H55-D57 PolarHBondContact O-N 3.46Å; H55-T58 PolarHBondContact O-N 2.93Å; H55-T58 PolarHBondContact O-OG1 3.04Å; H55-V59 WeakPolarHBondContact O-CG2 3.39Å; H55-V59 PolarHBondContact O-N 3.43Å
56W85.8Confident84Confident25 Ų2555.3 Ų55.310%0.09531%0.313CS..Hα-helixtrans-64.7-24.9-171.5-60.5114.7000114.2I51 G54 V59 L60 L76 Q79 V80 E83 R142I51-W56 HydrophobicContact CG2-CH2 4.28Å; I51-W56 HydrophobicContact CG2-CZ3 4.35Å; G54-W56 VanDerWaalsContact O-CD1 3.23Å; G54-W56 PolarHBondContact O-N 3.49Å; W56-V59 HydrophobicContact CE3-CB 4.33Å; W56-V59 HydrophobicContact CE3-CG1 4.23Å; W56-V59 HydrophobicContact CZ3-CG1 4.4Å; W56-V59 PolarHBondContact O-N 3.21Å; W56-L60 VanDerWaalsContact O-CB 3.27Å; W56-L60 WeakPolarHBondContact O-CB 3.3Å; W56-L60 WeakPolarHBondContact O-CG 3.43Å; W56-L60 PolarHBondContact O-N 3.24Å; W56-L76 HydrophobicContact CZ3-CD1 3.92Å; W56-L76 HydrophobicContact CZ3-CG 4.21Å; W56-Q79 HydrophobicContact CH2-CB 4.39Å; W56-Q79 HydrophobicContact CH2-CG 3.87Å; W56-Q79 HydrophobicContact CZ2-CG 3.8Å; W56-V80 HydrophobicContact CB-CG1 4.45Å; W56-V80 HydrophobicContact CB-CG2 4.29Å; W56-V80 HydrophobicContact CD2-CG2 3.53Å; W56-V80 HydrophobicContact CE3-CG2 3.49Å; W56-V80 VanDerWaalsContact CE3-CG2 3.49Å; W56-V80 HydrophobicContact CG-CG1 4.35Å; W56-V80 HydrophobicContact CG-CG2 3.88Å; W56-V80 HydrophobicContact CZ3-CG2 4.03Å; W56-E83 WeakPolarHBondContact CZ2-OE1 3.42Å; W56-E83 PolarHBondContact NE1-OE2 3.46Å; W56-R142 HydrophobicContact CZ2-CG 4.49Å
57D83.6Confident83.7Confident132 Ų13259.4 Ų59.471%0.70632%0.324SS*.Hα-helixtrans-62.4-45.2177.6-64.2-33.9000112.2H55 Q61H55-D57 PolarHBondContact O-N 3.46Å; D57-Q61 WeakPolarHBondContact O-CB 3.4Å; D57-Q61 VanDerWaalsContact O-CG 3.29Å; D57-Q61 WeakPolarHBondContact O-CG 3.02Å; D57-Q61 PolarHBondContact O-N 2.94Å
58T84.8Confident83.6Confident62 Ų6260 Ų6038%0.3833%0.327SS..Hα-helixtrans-71.7-39.4178.958.90000111D50 H55 Q61 A62D50-T58 PolarHBondContact OD2-OG1 3.27Å; H55-T58 PolarHBondContact O-N 2.93Å; H55-T58 PolarHBondContact O-OG1 3.04Å; T58-Q61 PolarHBondContact O-N 2.97Å; T58-A62 WeakPolarHBondContact O-CB 3.05Å; T58-A62 PolarHBondContact O-N 3.26Å
59V85.7Confident83.4Confident0 Ų060.7 Ų60.70%033%0.333CS..Hα-helixtrans-64.1-46.2179175.90000111.2F47 D50 I51 H55 W56 A62 I63 L76F47-V59 HydrophobicContact CE2-CG1 4.27Å; F47-V59 HydrophobicContact CZ-CG1 4.48Å; D50-V59 HydrophobicContact CB-CG2 3.89Å; I51-V59 HydrophobicContact CG1-CG1 3.91Å; I51-V59 HydrophobicContact CG1-CG2 3.72Å; H55-V59 WeakPolarHBondContact O-CG2 3.39Å; H55-V59 PolarHBondContact O-N 3.43Å; W56-V59 HydrophobicContact CE3-CB 4.33Å; W56-V59 HydrophobicContact CE3-CG1 4.23Å; W56-V59 HydrophobicContact CZ3-CG1 4.4Å; W56-V59 PolarHBondContact O-N 3.21Å; V59-A62 PolarHBondContact O-N 2.88Å; V59-I63 HydrophobicContact CG1-CD1 3.57Å; V59-I63 HydrophobicContact CG1-CG1 4.39Å; V59-I63 WeakPolarHBondContact O-CB 3.37Å; V59-I63 WeakPolarHBondContact O-CG1 3.4Å; V59-I63 PolarHBondContact O-N 3.23Å; V59-L76 HydrophobicContact CG1-CD1 3.89Å
60L85.1Confident83.2Confident40 Ų4062.9 Ų62.921%0.20934%0.337CS..Hα-helixtrans-67.3-38.2179.5-70.8171.6000112.1W56 I63 Q64 L76 Y77W56-L60 VanDerWaalsContact O-CB 3.27Å; W56-L60 WeakPolarHBondContact O-CB 3.3Å; W56-L60 WeakPolarHBondContact O-CG 3.43Å; W56-L60 PolarHBondContact O-N 3.24Å; L60-I63 PolarHBondContact O-N 3Å; L60-Q64 PolarHBondContact O-N 3.41Å; L60-Q64 VanDerWaalsContact O-N 3.07Å; L60-L76 HydrophobicContact CD2-CD2 4.03Å; L60-Y77 HydrophobicContact CD2-CD1 4.48Å; L60-Y77 HydrophobicContact CD2-CE1 3.82Å; L60-Y77 HydrophobicContact CD2-CE2 4.35Å
61Q84.4Confident83.2Confident142 Ų14267.8 Ų67.866%0.66436%0.356SS*.Hα-helixtrans-62.9-42.9173.4-76.9179.12.200112.1D57 T58D57-Q61 WeakPolarHBondContact O-CB 3.4Å; D57-Q61 VanDerWaalsContact O-CG 3.29Å; D57-Q61 WeakPolarHBondContact O-CG 3.02Å; D57-Q61 PolarHBondContact O-N 2.94Å; T58-Q61 PolarHBondContact O-N 2.97Å
62A81.3Confident83.1Confident27 Ų2768.9 Ų68.922%0.22336%0.363CS..Hα-helixtrans-64.2-44.617700000111.4F47 T58 V59 Q64 S65F47-A62 HydrophobicContact CD2-CB 4.31Å; F47-A62 HydrophobicContact CE2-CB 3.93Å; T58-A62 WeakPolarHBondContact O-CB 3.05Å; T58-A62 PolarHBondContact O-N 3.26Å; V59-A62 PolarHBondContact O-N 2.88Å; A62-Q64 VanDerWaalsContact C-N 3.34Å; A62-Q64 PolarHBondContact O-N 3Å; A62-S65 PolarHBondContact O-N 3.33Å; A62-S65 PolarHBondContact O-OG 3.42Å
63I83.6Confident83.1Confident5 Ų567.1 Ų67.13%0.02635%0.354CS..Hα-helixtrans-66.1-32-177.8-71.9170.9000112.9F47 V59 L60 S65 L66 L68 L73 L76F47-I63 HydrophobicContact CE2-CG1 4.49Å; F47-I63 HydrophobicContact CZ-CD1 4.44Å; F47-I63 HydrophobicContact CZ-CG1 4.16Å; V59-I63 HydrophobicContact CG1-CD1 3.57Å; V59-I63 HydrophobicContact CG1-CG1 4.39Å; V59-I63 WeakPolarHBondContact O-CB 3.37Å; V59-I63 WeakPolarHBondContact O-CG1 3.4Å; V59-I63 PolarHBondContact O-N 3.23Å; L60-I63 PolarHBondContact O-N 3Å; I63-S65 PolarHBondContact O-N 3.03Å; I63-L66 PolarHBondContact O-N 3.33Å; I63-L68 HydrophobicContact CG1-CD1 4.14Å; I63-L68 HydrophobicContact CG2-CD1 3.9Å; I63-L73 HydrophobicContact CG2-CD2 3.47Å; I63-L73 VanDerWaalsContact CG2-CD2 3.47Å; I63-L76 HydrophobicContact CD1-CD1 3.62Å; I63-L76 HydrophobicContact CD1-CD2 3.55Å; I63-L76 HydrophobicContact CD1-CG 4.24Å
64Q80Confident83.2Confident176 Ų17665 Ų6582%0.82234%0.338SS*.THydrogen-bonded Turntrans-55.8-27.7178.1-170.6178.27.800112.9L60 A62L60-Q64 PolarHBondContact O-N 3.41Å; L60-Q64 VanDerWaalsContact O-N 3.07Å; A62-Q64 VanDerWaalsContact C-N 3.34Å; A62-Q64 PolarHBondContact O-N 3Å
65S74.4Confident83.5Confident85 Ų8566.1 Ų66.159%0.59434%0.339SS*.THydrogen-bonded Turntrans-88.6-8.2179.273.70000114.6A62 I63A62-S65 PolarHBondContact O-N 3.33Å; A62-S65 PolarHBondContact O-OG 3.42Å; I63-S65 PolarHBondContact O-N 3.03Å
66L78.6Confident83.6Confident17 Ų1760.8 Ų60.89%0.08932%0.315CS..SBendtrans-104.1143.3-172.8-59.8174000111.2N39 V41 I63 L68 V153N39-L66 HydrophobicContact CB-CD2 3.97Å; V41-L66 HydrophobicContact CG2-CD1 4Å; V41-L66 HydrophobicContact CG2-CD2 4.44Å; I63-L66 PolarHBondContact O-N 3.33Å; L66-L68 HydrophobicContact CB-CD1 4.39Å; L66-L68 HydrophobicContact CB-CD2 4.3Å; L66-L68 HydrophobicContact CB-CG 3.96Å; L66-V153 HydrophobicContact CD1-CG2 3.98Å
67K78.1Confident83.7Confident140 Ų14061.6 Ų61.661%0.60932%0.318SS*.  trans-96.295.4169.9-70.8-176.9180176.10108.1N39N39-K67 PolarHBondContact ND2-O 3.35Å; N39-K67 PolarHBondContact OD1-N 3.08Å; N39-K67 VanDerWaalsContact OD1-N 3.12Å; N39-K67 PolarHBondContact OD1-O 3.01Å
68L81.2Confident83.9Confident16 Ų1656 Ų568%0.08429%0.288CS..  trans-103.8154.2-178.1-63.4175.4000111.3I63 L66 L73 L149 E152I63-L68 HydrophobicContact CG1-CD1 4.14Å; I63-L68 HydrophobicContact CG2-CD1 3.9Å; L66-L68 HydrophobicContact CB-CD1 4.39Å; L66-L68 HydrophobicContact CB-CD2 4.3Å; L66-L68 HydrophobicContact CB-CG 3.96Å; L68-L73 HydrophobicContact CB-CD1 4.18Å; L68-L73 HydrophobicContact CB-CD2 4.35Å; L68-L73 HydrophobicContact CB-CG 3.97Å; L68-L73 HydrophobicContact CD1-CD2 4.11Å; L68-L149 HydrophobicContact CD1-CD2 3.63Å; L68-L149 HydrophobicContact CD2-CD2 4.42Å; L68-E152 HydrophobicContact CD2-CB 3.99Å
69P84Confident84Confident52 Ų5253.1 Ų53.134%0.33827%0.27SS..  trans-57.7140.4171.2-23.533.3000112.3K71 T72 L73P69-K71 PolarHBondContact O-N 3.2Å; P69-K71 VanDerWaalsContact O-N 3.11Å; P69-T72 PolarHBondContact O-N 3.11Å; P69-T72 VanDerWaalsContact O-N 3.09Å; P69-T72 PolarHBondContact O-OG1 3.48Å; P69-L73 PolarHBondContact O-N 2.91Å
70D82.3Confident84.2Confident95 Ų9553.3 Ų53.351%0.50827%0.271SS..Hα-helixtrans-56.8-35.1-178-60.7-28.8000112.6T72 L73 I74 M105D70-T72 PolarHBondContact O-N 3.44Å; D70-L73 PolarHBondContact O-N 3.49Å; D70-I74 WeakPolarHBondContact O-CB 3.22Å; D70-I74 WeakPolarHBondContact O-CD1 3.16Å; D70-I74 WeakPolarHBondContact O-CG1 3.49Å; D70-I74 PolarHBondContact O-N 3.08Å; D70-M105 HydrophobicContact CB-CE 4.02Å; D70-M105 WeakPolarHBondContact OD2-CE 3.41Å
71K85.1Confident84.3Confident154 Ų15451.4 Ų51.467%0.6726%0.261SS*.Hα-helixtrans-62.3-43.5179.3-171.5-179.5177.7-175.30112.6P69 I74 D75P69-K71 PolarHBondContact O-N 3.2Å; P69-K71 VanDerWaalsContact O-N 3.11Å; K71-I74 PolarHBondContact O-N 3.27Å; K71-D75 PolarHBondContact O-N 3.19Å; K71-D75 VanDerWaalsContact O-N 3.08Å
72T86Confident84.4Confident23 Ų2344.7 Ų44.714%0.14123%0.23CC..Hα-helixtrans-73.5-35.4-178.356.90000111.2P69 D70 D75 L76 A148P69-T72 PolarHBondContact O-N 3.11Å; P69-T72 VanDerWaalsContact O-N 3.09Å; P69-T72 PolarHBondContact O-OG1 3.48Å; D70-T72 PolarHBondContact O-N 3.44Å; T72-D75 PolarHBondContact O-N 2.91Å; T72-L76 WeakPolarHBondContact O-CB 3.45Å; T72-L76 PolarHBondContact O-N 3.4Å; T72-A148 HydrophobicContact CG2-CB 4.42Å
73L86.1Confident84.6Confident29 Ų2943.7 Ų43.715%0.15222%0.22CC..Hα-helixtrans-60.8-49.2171-75.4168.3000111.1I63 L68 P69 D70 D75 L76 Y77 P102I63-L73 HydrophobicContact CG2-CD2 3.47Å; I63-L73 VanDerWaalsContact CG2-CD2 3.47Å; L68-L73 HydrophobicContact CB-CD1 4.18Å; L68-L73 HydrophobicContact CB-CD2 4.35Å; L68-L73 HydrophobicContact CB-CG 3.97Å; L68-L73 HydrophobicContact CD1-CD2 4.11Å; P69-L73 PolarHBondContact O-N 2.91Å; D70-L73 PolarHBondContact O-N 3.49Å; L73-D75 VanDerWaalsContact C-N 3.34Å; L73-D75 PolarHBondContact O-N 3.34Å; L73-L76 PolarHBondContact O-N 3.46Å; L73-Y77 HydrophobicContact CD2-CE2 4.21Å; L73-Y77 VanDerWaalsContact O-CD2 3.27Å; L73-Y77 WeakPolarHBondContact O-CD2 3.22Å; L73-Y77 PolarHBondContact O-N 3.12Å; L73-P102 HydrophobicContact CB-CB 4.36Å; L73-P102 HydrophobicContact CB-CG 4.24Å
74I88.1Confident84.7Confident15 Ų1544.7 Ų44.78%0.07723%0.226CC..Hα-helixtrans-56.4-48.7178.2-72.9164.9000111.2D70 K71 L76 Y77 E78 P102 M105 L106D70-I74 WeakPolarHBondContact O-CB 3.22Å; D70-I74 WeakPolarHBondContact O-CD1 3.16Å; D70-I74 WeakPolarHBondContact O-CG1 3.49Å; D70-I74 PolarHBondContact O-N 3.08Å; K71-I74 PolarHBondContact O-N 3.27Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-L76 PolarHBondContact O-N 2.89Å; I74-Y77 PolarHBondContact O-N 3.28Å; I74-E78 WeakPolarHBondContact O-CB 3.35Å; I74-E78 PolarHBondContact O-N 2.92Å; I74-P102 HydrophobicContact CG1-CB 4.19Å; I74-P102 WeakPolarHBondContact CG1-O 3.42Å; I74-M105 HydrophobicContact CD1-CB 4.42Å; I74-L106 HydrophobicContact CG1-CB 4.46Å; I74-L106 HydrophobicContact CG2-CB 4.07Å; I74-L106 HydrophobicContact CG2-CD1 3.54Å; I74-L106 HydrophobicContact CG2-CD2 4.39Å; I74-L106 HydrophobicContact CG2-CG 4.19Å
75D87.7Confident84.9Confident41 Ų4136.6 Ų36.622%0.21919%0.188CC..Hα-helixtrans-64.7-35.1-178.6-70.3-25.5000112.3K71 T72 L73 Q79 R113 I145K71-D75 PolarHBondContact O-N 3.19Å; K71-D75 VanDerWaalsContact O-N 3.08Å; T72-D75 PolarHBondContact O-N 2.91Å; L73-D75 VanDerWaalsContact C-N 3.34Å; L73-D75 PolarHBondContact O-N 3.34Å; D75-Q79 PolarHBondContact O-N 2.63Å; D75-R113 IonicContact OD1-CZ 3.45Å; D75-R113 IonicContact OD1-NH1 3.51Å; D75-R113 PolarHBondContact OD1-NH1 3.47Å; D75-R113 IonicContact OD1-NH2 2.8Å; D75-R113 PolarHBondContact OD1-NH2 2.75Å; D75-I145 WeakPolarHBondContact O-CD1 3.35Å
76L88.7Confident85.4Confident1 Ų136.5 Ų36.51%0.00518%0.178CC..Hα-helixtrans-68.7-52.5174.2177.5122000111.9W56 V59 L60 I63 T72 L73 I74 E78 Q79 V80 I145 L149W56-L76 HydrophobicContact CZ3-CD1 3.92Å; W56-L76 HydrophobicContact CZ3-CG 4.21Å; V59-L76 HydrophobicContact CG1-CD1 3.89Å; L60-L76 HydrophobicContact CD2-CD2 4.03Å; I63-L76 HydrophobicContact CD1-CD1 3.62Å; I63-L76 HydrophobicContact CD1-CD2 3.55Å; I63-L76 HydrophobicContact CD1-CG 4.24Å; T72-L76 WeakPolarHBondContact O-CB 3.45Å; T72-L76 PolarHBondContact O-N 3.4Å; L73-L76 PolarHBondContact O-N 3.46Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-L76 PolarHBondContact O-N 2.89Å; L76-E78 PolarHBondContact O-N 3.22Å; L76-Q79 WeakPolarHBondContact O-CB 3.24Å; L76-Q79 PolarHBondContact O-N 2.92Å; L76-V80 WeakPolarHBondContact O-CG2 3.25Å; L76-V80 PolarHBondContact O-N 3.4Å; L76-I145 HydrophobicContact CB-CG2 4.13Å; L76-I145 HydrophobicContact CD1-CG2 3.96Å; L76-L149 HydrophobicContact CD1-CD1 3.51Å
77Y88.1Confident85.6Confident42 Ų4241.3 Ų41.317%0.16520%0.203CC..Hα-helixtrans-62-33.8179.6-85.2-85.6000111.3L60 L73 I74 V80 V81 L96 T100 P102L60-Y77 HydrophobicContact CD2-CD1 4.48Å; L60-Y77 HydrophobicContact CD2-CE1 3.82Å; L60-Y77 HydrophobicContact CD2-CE2 4.35Å; L73-Y77 HydrophobicContact CD2-CE2 4.21Å; L73-Y77 VanDerWaalsContact O-CD2 3.27Å; L73-Y77 WeakPolarHBondContact O-CD2 3.22Å; L73-Y77 PolarHBondContact O-N 3.12Å; I74-Y77 PolarHBondContact O-N 3.28Å; Y77-V80 PolarHBondContact O-N 3.49Å; Y77-V81 VanDerWaalsContact O-CG2 3.3Å; Y77-V81 WeakPolarHBondContact O-CG2 3.41Å; Y77-V81 PolarHBondContact O-N 3.08Å; Y77-L96 HydrophobicContact CE1-CD2 4.46Å; Y77-T100 HydrophobicContact CD1-CG2 4.17Å; Y77-T100 HydrophobicContact CE1-CG2 3.78Å; Y77-P102 HydrophobicContact CD2-CB 3.95Å; Y77-P102 HydrophobicContact CD2-CG 3.78Å; Y77-P102 HydrophobicContact CE2-CB 4.42Å; Y77-P102 HydrophobicContact CE2-CG 3.75Å; Y77-P102 HydrophobicContact CG-CB 4.45Å
78E88Confident85.8Confident15 Ų1543.4 Ų43.47%0.0721%0.207CC..Hα-helixtrans-63.5-43.7173.6-178.1174.9142.200111.2I74 L76 V80 V81 L82 M103 R113 L117 R141I74-E78 WeakPolarHBondContact O-CB 3.35Å; I74-E78 PolarHBondContact O-N 2.92Å; L76-E78 PolarHBondContact O-N 3.22Å; E78-V80 PolarHBondContact O-N 3.4Å; E78-V81 PolarHBondContact O-N 3.42Å; E78-L82 HydrophobicContact CG-CD1 4.32Å; E78-L82 WeakPolarHBondContact O-CG 3.38Å; E78-L82 PolarHBondContact O-N 2.9Å; E78-M103 HydrophobicContact CB-CE 4.1Å; E78-R113 IonicContact OE1-NH2 3.82Å; E78-R113 IonicContact OE2-CZ 2.75Å; E78-R113 IonicContact OE2-NE 3.55Å; E78-R113 PolarHBondContact OE2-NE 2.88Å; E78-R113 IonicContact OE2-NH2 3.52Å; E78-R113 PolarHBondContact OE2-NH2 3.39Å; E78-L117 HydrophobicContact CG-CD1 3.82Å; E78-L117 HydrophobicContact CG-CD2 3.99Å; E78-L117 HydrophobicContact CG-CG 4.41Å; E78-R141 IonicContact OE1-CZ 2.63Å; E78-R141 IonicContact OE1-NH1 3.7Å; E78-R141 PolarHBondContact OE1-NH1 3.44Å; E78-R141 IonicContact OE1-NH2 3.67Å; E78-R141 PolarHBondContact OE1-NH2 3.23Å; E78-R141 IonicContact OE2-NH2 2.72Å
79Q88.1Confident86Confident0 Ų048 Ų480%023%0.229CC..Hα-helixtrans-61.8-42.7175.8-174.961.526.700111.8W56 D75 L76 V81 L82 E83 Y132 R142 I145W56-Q79 HydrophobicContact CH2-CB 4.39Å; W56-Q79 HydrophobicContact CH2-CG 3.87Å; W56-Q79 HydrophobicContact CZ2-CG 3.8Å; D75-Q79 PolarHBondContact O-N 2.63Å; L76-Q79 WeakPolarHBondContact O-CB 3.24Å; L76-Q79 PolarHBondContact O-N 2.92Å; Q79-V81 VanDerWaalsContact C-N 3.34Å; Q79-V81 PolarHBondContact O-N 3.35Å; Q79-L82 PolarHBondContact O-N 2.96Å; Q79-E83 PolarHBondContact NE2-OE1 2.73Å; Q79-E83 WeakPolarHBondContact O-CG 3.39Å; Q79-E83 PolarHBondContact O-N 3.37Å; Q79-E83 VanDerWaalsContact O-N 3.1Å; Q79-Y132 PolarHBondContact NE2-OH 2.76Å; Q79-R142 HydrophobicContact CG-CG 4.44Å; Q79-I145 HydrophobicContact CB-CD1 3.57Å; Q79-I145 HydrophobicContact CG-CD1 3.94Å
80V88.6Confident86.1Confident4 Ų448.4 Ų48.42%0.02423%0.228CC..Hα-helixtrans-59.1-45.8175.61770000110.7W56 L76 Y77 E78 E83 L84 L96W56-V80 HydrophobicContact CB-CG1 4.45Å; W56-V80 HydrophobicContact CB-CG2 4.29Å; W56-V80 HydrophobicContact CD2-CG2 3.53Å; W56-V80 HydrophobicContact CE3-CG2 3.49Å; W56-V80 VanDerWaalsContact CE3-CG2 3.49Å; W56-V80 HydrophobicContact CG-CG1 4.35Å; W56-V80 HydrophobicContact CG-CG2 3.88Å; W56-V80 HydrophobicContact CZ3-CG2 4.03Å; L76-V80 WeakPolarHBondContact O-CG2 3.25Å; L76-V80 PolarHBondContact O-N 3.4Å; Y77-V80 PolarHBondContact O-N 3.49Å; E78-V80 PolarHBondContact O-N 3.4Å; V80-E83 PolarHBondContact O-N 3.38Å; V80-L84 HydrophobicContact CG1-CD1 3.96Å; V80-L84 HydrophobicContact CG1-CG 4.46Å; V80-L84 WeakPolarHBondContact O-CG 3.15Å; V80-L84 PolarHBondContact O-N 2.99Å; V80-L96 HydrophobicContact CG1-CD1 4.09Å
81V87.4Confident86.2Confident0 Ų046.6 Ų46.60%023%0.231CC..Hα-helixtrans-62.7-45.6179.3169.90000111.1Y77 E78 Q79 E83 L84 I85 L96 L97 M103 L117Y77-V81 VanDerWaalsContact O-CG2 3.3Å; Y77-V81 WeakPolarHBondContact O-CG2 3.41Å; Y77-V81 PolarHBondContact O-N 3.08Å; E78-V81 PolarHBondContact O-N 3.42Å; Q79-V81 VanDerWaalsContact C-N 3.34Å; Q79-V81 PolarHBondContact O-N 3.35Å; V81-E83 VanDerWaalsContact C-N 3.25Å; V81-E83 PolarHBondContact O-N 2.72Å; V81-L84 PolarHBondContact O-N 3.47Å; V81-I85 HydrophobicContact CG1-CD1 3.91Å; V81-I85 HydrophobicContact CG1-CG1 4.49Å; V81-I85 VanDerWaalsContact O-CG1 3.22Å; V81-I85 WeakPolarHBondContact O-CG1 3.45Å; V81-I85 PolarHBondContact O-N 3.33Å; V81-L96 HydrophobicContact CG2-CB 4.32Å; V81-L97 HydrophobicContact CG1-CD1 4.14Å; V81-M103 HydrophobicContact CG2-CE 4.43Å; V81-L117 HydrophobicContact CG1-CD2 4.34Å
82L86.1Confident86.2Confident2 Ų241 Ų411%0.0121%0.214CC..Hα-helixtrans-58.3-39.2177.6-73.7172.4000112.2E78 Q79 I85 E86 L117 L120 A131E78-L82 HydrophobicContact CG-CD1 4.32Å; E78-L82 WeakPolarHBondContact O-CG 3.38Å; E78-L82 PolarHBondContact O-N 2.9Å; Q79-L82 PolarHBondContact O-N 2.96Å; L82-I85 PolarHBondContact O-N 2.98Å; L82-E86 PolarHBondContact O-N 2.81Å; L82-L117 HydrophobicContact CD2-CD2 3.73Å; L82-L117 HydrophobicContact CG-CD2 3.99Å; L82-L120 HydrophobicContact CD2-CD1 3.74Å; L82-A131 HydrophobicContact CD2-CB 4.24Å
83E86.1Confident86.2Confident5 Ų540 Ų402%0.02321%0.207CC..Hα-helixtrans-75.4-33.4179.9-68.8-172.8-167.100113.5W56 Q79 V80 V81 I85 E86 L87 K138 R142W56-E83 WeakPolarHBondContact CZ2-OE1 3.42Å; W56-E83 PolarHBondContact NE1-OE2 3.46Å; Q79-E83 PolarHBondContact NE2-OE1 2.73Å; Q79-E83 WeakPolarHBondContact O-CG 3.39Å; Q79-E83 PolarHBondContact O-N 3.37Å; Q79-E83 VanDerWaalsContact O-N 3.1Å; V80-E83 PolarHBondContact O-N 3.38Å; V81-E83 VanDerWaalsContact C-N 3.25Å; V81-E83 PolarHBondContact O-N 2.72Å; E83-I85 VanDerWaalsContact C-N 3.29Å; E83-I85 PolarHBondContact O-N 3.41Å; E83-E86 WeakPolarHBondContact O-CB 3.42Å; E83-E86 PolarHBondContact O-N 2.98Å; E83-L87 WeakPolarHBondContact O-CG 3.15Å; E83-L87 PolarHBondContact O-N 2.96Å; E83-K138 HydrophobicContact CG-CD 4.45Å; E83-K138 WeakPolarHBondContact OE1-CE 3.42Å; E83-K138 IonicContact OE2-NZ 3.16Å; E83-R142 IonicContact OE1-CZ 3.19Å; E83-R142 IonicContact OE1-NE 3.29Å; E83-R142 PolarHBondContact OE1-NE 3.48Å; E83-R142 IonicContact OE1-NH2 2.92Å; E83-R142 PolarHBondContact OE1-NH2 3.49Å; E83-R142 VanDerWaalsContact OE1-NH2 3.16Å; E83-R142 IonicContact OE2-CZ 3.34Å; E83-R142 IonicContact OE2-NE 3.49Å; E83-R142 IonicContact OE2-NH2 2.72Å; E83-R142 PolarHBondContact OE2-NH2 3.12Å
84L86.1Confident86.2Confident26 Ų2644.5 Ų44.514%0.13622%0.223CC..Hα-helixtrans-67-33.1171.4-70.6170.4000111.9V80 V81 L87 R88 E89 A92 A93 L96V80-L84 HydrophobicContact CG1-CD1 3.96Å; V80-L84 HydrophobicContact CG1-CG 4.46Å; V80-L84 WeakPolarHBondContact O-CG 3.15Å; V80-L84 PolarHBondContact O-N 2.99Å; V81-L84 PolarHBondContact O-N 3.47Å; L84-L87 PolarHBondContact O-N 3.3Å; L84-R88 PolarHBondContact O-N 3.04Å; L84-E89 HydrophobicContact CD2-CB 4.35Å; L84-E89 PolarHBondContact O-N 3.18Å; L84-A92 HydrophobicContact CD1-CB 4.38Å; L84-A93 HydrophobicContact CB-CB 3.85Å; L84-L96 HydrophobicContact CD1-CD1 3.22Å
85I84.1Confident86.2Confident7 Ų746 Ų464%0.03623%0.234CC..Hα-helixtrans-65.8-43.4172-62.5164000110.2V81 L82 E83 L87 R88 A93 L120 L121 F126V81-I85 HydrophobicContact CG1-CD1 3.91Å; V81-I85 HydrophobicContact CG1-CG1 4.49Å; V81-I85 VanDerWaalsContact O-CG1 3.22Å; V81-I85 WeakPolarHBondContact O-CG1 3.45Å; V81-I85 PolarHBondContact O-N 3.33Å; L82-I85 PolarHBondContact O-N 2.98Å; E83-I85 VanDerWaalsContact C-N 3.29Å; E83-I85 PolarHBondContact O-N 3.41Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 3.06Å; I85-R88 PolarHBondContact O-N 3.07Å; I85-A93 HydrophobicContact CG1-CB 4.19Å; I85-L120 HydrophobicContact CD1-CB 4.2Å; I85-L121 HydrophobicContact CD1-CD2 3.87Å; I85-L121 HydrophobicContact CD1-CG 3.78Å; I85-L121 HydrophobicContact CG1-CD2 3.54Å; I85-L121 HydrophobicContact CG1-CG 4.05Å; I85-F126 HydrophobicContact CB-CD2 4.29Å; I85-F126 HydrophobicContact CB-CE2 4.49Å; I85-F126 HydrophobicContact CG2-CD2 3.59Å; I85-F126 HydrophobicContact CG2-CE2 4.2Å; I85-F126 HydrophobicContact CG2-CG 4.45Å
86E84.6Confident86.2Confident82 Ų8246 Ų4638%0.38323%0.234SC..Hα-helixtrans-59.8-42.1175.6-172.8-178.4-167.100111.8L82 E83 R88 F126 K138L82-E86 PolarHBondContact O-N 2.81Å; E83-E86 WeakPolarHBondContact O-CB 3.42Å; E83-E86 PolarHBondContact O-N 2.98Å; E86-R88 PolarHBondContact O-N 3.3Å; E86-F126 HydrophobicContact CB-CD1 4.16Å; E86-F126 HydrophobicContact CB-CE1 4Å; E86-F126 HydrophobicContact CB-CZ 4.25Å; E86-F126 HydrophobicContact CG-CD1 4.09Å; E86-F126 HydrophobicContact CG-CE1 3.98Å; E86-K138 IonicContact OE2-NZ 3.94Å; E86-K138 PolarHBondContact OE2-NZ 3.38Å
87L84.1Confident86Confident119 Ų11946 Ų4662%0.62323%0.234SC*.THydrogen-bonded Turntrans-73.5-1.5175.5-67.6171.9000113.9E83 L84 I85 E89E83-L87 WeakPolarHBondContact O-CG 3.15Å; E83-L87 PolarHBondContact O-N 2.96Å; L84-L87 PolarHBondContact O-N 3.3Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 3.06Å; L87-E89 PolarHBondContact O-N 2.96Å
88R82.1Confident86Confident183 Ų18352.6 Ų52.669%0.69126%0.259SS*.THydrogen-bonded Turntrans61.221.7-175.9-60.2-172.2174.1-128.1-1.2115L84 I85 E86 L90L84-R88 PolarHBondContact O-N 3.04Å; I85-R88 PolarHBondContact O-N 3.07Å; E86-R88 PolarHBondContact O-N 3.3Å; R88-L90 PolarHBondContact O-N 3.28Å
89E85.7Confident85.9Confident113 Ų11358.8 Ų58.853%0.52829%0.288SS..  trans-85.264.4172.8-65.3-154.6166.100111.6L84 L87 G91 A92 A93L84-E89 HydrophobicContact CD2-CB 4.35Å; L84-E89 PolarHBondContact O-N 3.18Å; L87-E89 PolarHBondContact O-N 2.96Å; E89-G91 PolarHBondContact O-N 3.49Å; E89-A92 HydrophobicContact CB-CB 4.28Å; E89-A92 PolarHBondContact O-N 3.35Å; E89-A93 PolarHBondContact O-N 3.35Å
90L84.4Confident85.8Confident61 Ų6159.7 Ų59.732%0.31929%0.293SS..Hα-helixtrans-62-29.1-174.5-58178.3000113.1R88 R94 L121R88-L90 PolarHBondContact O-N 3.28Å; L90-R94 VanDerWaalsContact O-CB 3.32Å; L90-R94 WeakPolarHBondContact O-CB 3.21Å; L90-R94 WeakPolarHBondContact O-CD 3.39Å; L90-R94 WeakPolarHBondContact O-CG 3.42Å; L90-R94 PolarHBondContact O-N 3.18Å; L90-L121 HydrophobicContact CD2-CD2 4.26Å
91G84.7Confident85.6Confident57 Ų5765.3 Ų65.359%0.58832%0.323SS*.Hα-helixtrans-65.9-49.8176.600000112.4E89 R94 S95E89-G91 PolarHBondContact O-N 3.49Å; G91-R94 PolarHBondContact O-N 2.96Å; G91-S95 PolarHBondContact O-N 2.85Å
92A85.4Confident85.4Confident37 Ų3766.4 Ų66.431%0.30633%0.33SS..Hα-helixtrans-64.8-44.8178.400000111.3L84 E89 R94 S95 L96L84-A92 HydrophobicContact CD1-CB 4.38Å; E89-A92 HydrophobicContact CB-CB 4.28Å; E89-A92 PolarHBondContact O-N 3.35Å; A92-R94 PolarHBondContact O-N 3.5Å; A92-S95 WeakPolarHBondContact O-CB 3.35Å; A92-S95 PolarHBondContact O-N 3.01Å; A92-S95 VanDerWaalsContact O-N 3.16Å; A92-L96 PolarHBondContact O-N 3.22Å
93A85.8Confident85.4Confident0 Ų066.3 Ų66.30%033%0.33CS..Hα-helixtrans-61.3-41.917800000112.6L84 I85 E89 L97 L121L84-A93 HydrophobicContact CB-CB 3.85Å; I85-A93 HydrophobicContact CG1-CB 4.19Å; E89-A93 PolarHBondContact O-N 3.35Å; A93-L97 WeakPolarHBondContact O-CB 3.26Å; A93-L97 PolarHBondContact O-N 3.07Å; A93-L121 HydrophobicContact CB-CD2 3.57Å
94R86.6Confident85.4Confident125 Ų12569.4 Ų69.447%0.47235%0.346SS..Hα-helixtrans-65.7-37.5174.2-75.3172.2-175.3-177.52.6112.7L90 G91 A92 R98 L121L90-R94 VanDerWaalsContact O-CB 3.32Å; L90-R94 WeakPolarHBondContact O-CB 3.21Å; L90-R94 WeakPolarHBondContact O-CD 3.39Å; L90-R94 WeakPolarHBondContact O-CG 3.42Å; L90-R94 PolarHBondContact O-N 3.18Å; G91-R94 PolarHBondContact O-N 2.96Å; A92-R94 PolarHBondContact O-N 3.5Å; R94-R98 WeakPolarHBondContact O-CG 3.33Å; R94-R98 PolarHBondContact O-N 3.39Å; R94-L121 HydrophobicContact CG-CD1 4.33Å; R94-L121 HydrophobicContact CG-CD2 4.24Å; R94-L121 PolarHBondContact NH2-O 3.27Å
95S88.1Confident85.2Confident46 Ų4671.3 Ų71.332%0.32236%0.355SS..Hα-helixtrans-64.9-49.3177.5-155.10000110.6G91 A92 L97 R98 Q99G91-S95 PolarHBondContact O-N 2.85Å; A92-S95 WeakPolarHBondContact O-CB 3.35Å; A92-S95 PolarHBondContact O-N 3.01Å; A92-S95 VanDerWaalsContact O-N 3.16Å; S95-L97 PolarHBondContact O-N 3.02Å; S95-R98 PolarHBondContact O-N 2.96Å; S95-Q99 VanDerWaalsContact O-CB 3.25Å; S95-Q99 WeakPolarHBondContact O-CB 3.42Å; S95-Q99 WeakPolarHBondContact O-CG 3.15Å; S95-Q99 PolarHBondContact O-N 2.89Å; S95-Q99 VanDerWaalsContact OG-CD 3.22Å; S95-Q99 PolarHBondContact OG-NE2 2.77Å; S95-Q99 PolarHBondContact OG-OE1 3.33Å
96L87.3Confident85.4Confident40 Ų4071 Ų7121%0.20935%0.353CS..Hα-helixtrans-60.3-45.1177.9-78.5165000112.1Y77 V80 V81 L84 A92 R98 T100Y77-L96 HydrophobicContact CE1-CD2 4.46Å; V80-L96 HydrophobicContact CG1-CD1 4.09Å; V81-L96 HydrophobicContact CG2-CB 4.32Å; L84-L96 HydrophobicContact CD1-CD1 3.22Å; A92-L96 PolarHBondContact O-N 3.22Å; L96-R98 PolarHBondContact O-N 2.87Å; L96-T100 HydrophobicContact CB-CG2 4.48Å; L96-T100 HydrophobicContact CD2-CG2 3.72Å; L96-T100 WeakPolarHBondContact O-CB 3.32Å; L96-T100 VanDerWaalsContact O-CG2 3.27Å; L96-T100 WeakPolarHBondContact O-CG2 3.27Å; L96-T100 PolarHBondContact O-N 2.99Å; L96-T100 PolarHBondContact O-OG1 3.08Å
97L85.8Confident85.4Confident3 Ų372.6 Ų72.62%0.01636%0.359CS..Hα-helixtrans-62.8-29.8-179.2-166.4118.2000113V81 A93 S95 M103 Y114 L117 E118 L121V81-L97 HydrophobicContact CG1-CD1 4.14Å; A93-L97 WeakPolarHBondContact O-CB 3.26Å; A93-L97 PolarHBondContact O-N 3.07Å; S95-L97 PolarHBondContact O-N 3.02Å; L97-M103 HydrophobicContact CD1-SD 4.45Å; L97-M103 VanDerWaalsContact O-CB 3.32Å; L97-M103 WeakPolarHBondContact O-CB 3.39Å; L97-Y114 HydrophobicContact CD1-CE2 4.42Å; L97-Y114 HydrophobicContact CD2-CE1 4.3Å; L97-Y114 HydrophobicContact CD2-CE2 3.61Å; L97-Y114 VanDerWaalsContact CD2-CZ 3.46Å; L97-Y114 WeakPolarHBondContact CD2-OH 3.18Å; L97-Y114 HydrophobicContact CG-CD2 4.47Å; L97-Y114 HydrophobicContact CG-CE2 3.75Å; L97-L117 HydrophobicContact CD1-CB 3.74Å; L97-L117 HydrophobicContact CD1-CD1 4.17Å; L97-E118 HydrophobicContact CD2-CG 3.65Å; L97-L121 HydrophobicContact CB-CD1 4.47Å; L97-L121 HydrophobicContact CD1-CD1 4.07Å; L97-L121 HydrophobicContact CD2-CD1 4.29Å
98R86.3Confident85.5Confident179 Ų17974.1 Ų74.168%0.67536%0.363SS*.Hα-helixtrans-96.5-31-178.2-70.1-177.7177.1-175-0.6114.9R94 S95 L96R94-R98 WeakPolarHBondContact O-CG 3.33Å; R94-R98 PolarHBondContact O-N 3.39Å; S95-R98 PolarHBondContact O-N 2.96Å; L96-R98 PolarHBondContact O-N 2.87Å
99Q87.4Confident85.7Confident145 Ų14569.6 Ų69.668%0.67836%0.355SS*.Hα-helixtrans-99.9-13.2-170-65.9177.1-11.700113.7S95S95-Q99 VanDerWaalsContact O-CB 3.25Å; S95-Q99 WeakPolarHBondContact O-CB 3.42Å; S95-Q99 WeakPolarHBondContact O-CG 3.15Å; S95-Q99 PolarHBondContact O-N 2.89Å; S95-Q99 VanDerWaalsContact OG-CD 3.22Å; S95-Q99 PolarHBondContact OG-NE2 2.77Å; S95-Q99 PolarHBondContact OG-OE1 3.33Å
100T85.6Confident85.7Confident20 Ų2068.5 Ų68.512%0.12335%0.35CS..  trans-93.4133.4-176.2620000111.9Y77 L96 M103 I104Y77-T100 HydrophobicContact CD1-CG2 4.17Å; Y77-T100 HydrophobicContact CE1-CG2 3.78Å; L96-T100 HydrophobicContact CB-CG2 4.48Å; L96-T100 HydrophobicContact CD2-CG2 3.72Å; L96-T100 WeakPolarHBondContact O-CB 3.32Å; L96-T100 VanDerWaalsContact O-CG2 3.27Å; L96-T100 WeakPolarHBondContact O-CG2 3.27Å; L96-T100 PolarHBondContact O-N 2.99Å; L96-T100 PolarHBondContact O-OG1 3.08Å; T100-M103 PolarHBondContact O-N 3.46Å; T100-M103 VanDerWaalsContact O-N 3.14Å; T100-M103 WeakPolarHBondContact OG1-CB 3.41Å; T100-M103 WeakPolarHBondContact OG1-CG 3.38Å; T100-I104 PolarHBondContact O-N 2.85Å
101D83.3Confident85.7Confident122 Ų12268.9 Ų68.965%0.65236%0.357SS*.Hα-helixtrans-58.2-40.4-179.9-58.4-45.7000113.5M103 I104 M105D101-M103 VanDerWaalsContact C-N 3.28Å; D101-M103 PolarHBondContact O-N 3.19Å; D101-I104 PolarHBondContact O-N 3.43Å; D101-M105 WeakPolarHBondContact O-CG 3.39Å; D101-M105 PolarHBondContact O-N 3.35Å
102P84.5Confident85.8Confident22 Ų2274.1 Ų74.114%0.14337%0.366CS..Hα-helixtrans-60.8-33.5176.1-26.938000113.6L73 I74 Y77 M105 L106L73-P102 HydrophobicContact CB-CB 4.36Å; L73-P102 HydrophobicContact CB-CG 4.24Å; I74-P102 HydrophobicContact CG1-CB 4.19Å; I74-P102 WeakPolarHBondContact CG1-O 3.42Å; Y77-P102 HydrophobicContact CD2-CB 3.95Å; Y77-P102 HydrophobicContact CD2-CG 3.78Å; Y77-P102 HydrophobicContact CE2-CB 4.42Å; Y77-P102 HydrophobicContact CE2-CG 3.75Å; Y77-P102 HydrophobicContact CG-CB 4.45Å; P102-M105 WeakPolarHBondContact O-CB 3.23Å; P102-M105 PolarHBondContact O-N 3.46Å; P102-L106 WeakPolarHBondContact O-CB 3.39Å; P102-L106 PolarHBondContact O-N 3.41Å
103M85.1Confident85.8Confident0 Ų075.5 Ų75.50%036%0.363CS..Hα-helixtrans-75.5-33.5178.4-72.4-70.215300112.5E78 V81 L97 T100 D101 M105 L106 K107 L117E78-M103 HydrophobicContact CB-CE 4.1Å; V81-M103 HydrophobicContact CG2-CE 4.43Å; L97-M103 HydrophobicContact CD1-SD 4.45Å; L97-M103 VanDerWaalsContact O-CB 3.32Å; L97-M103 WeakPolarHBondContact O-CB 3.39Å; T100-M103 PolarHBondContact O-N 3.46Å; T100-M103 VanDerWaalsContact O-N 3.14Å; T100-M103 WeakPolarHBondContact OG1-CB 3.41Å; T100-M103 WeakPolarHBondContact OG1-CG 3.38Å; D101-M103 VanDerWaalsContact C-N 3.28Å; D101-M103 PolarHBondContact O-N 3.19Å; M103-M105 VanDerWaalsContact C-N 3.32Å; M103-L106 HydrophobicContact CE-CD2 4.48Å; M103-L106 PolarHBondContact O-N 3.18Å; M103-L106 HydrophobicContact SD-CD2 3.87Å; M103-K107 PolarHBondContact O-N 3.11Å; M103-L117 HydrophobicContact SD-CD1 4.5Å
104I85.7Confident85.8Confident71 Ų7176.2 Ų76.236%0.36437%0.366SS..Hα-helixtrans-65-41.6171.7-61.8167.8000109.8T100 D101 K107 Q108T100-I104 PolarHBondContact O-N 2.85Å; D101-I104 PolarHBondContact O-N 3.43Å; I104-K107 WeakPolarHBondContact O-CB 3Å; I104-K107 PolarHBondContact O-N 3.29Å; I104-Q108 WeakPolarHBondContact O-CG 3.4Å; I104-Q108 PolarHBondContact O-N 3.1Å
105M83.6Confident85.8Confident66 Ų6674.4 Ų74.433%0.32537%0.365SS..Hα-helixtrans-63.5-41.8173.4-71.1-91.3-80.100111.9D70 I74 D101 P102 M103 K107 Q108 T109D70-M105 HydrophobicContact CB-CE 4.02Å; D70-M105 WeakPolarHBondContact OD2-CE 3.41Å; I74-M105 HydrophobicContact CD1-CB 4.42Å; D101-M105 WeakPolarHBondContact O-CG 3.39Å; D101-M105 PolarHBondContact O-N 3.35Å; P102-M105 WeakPolarHBondContact O-CB 3.23Å; P102-M105 PolarHBondContact O-N 3.46Å; M103-M105 VanDerWaalsContact C-N 3.32Å; M105-K107 VanDerWaalsContact C-N 3.32Å; M105-K107 PolarHBondContact O-N 2.98Å; M105-Q108 PolarHBondContact O-N 3.22Å; M105-T109 WeakPolarHBondContact O-CB 3.31Å; M105-T109 WeakPolarHBondContact O-CG2 3.48Å; M105-T109 PolarHBondContact O-N 3.02Å; M105-T109 PolarHBondContact O-OG1 3.04Å
106L86.4Confident85.6Confident0 Ų075.3 Ų75.30%036%0.364CS..Hα-helixtrans-58.6-43.9173.9177.870.1000111.2I74 P102 M103 Q108 T109 Q110 R113 L117I74-L106 HydrophobicContact CG1-CB 4.46Å; I74-L106 HydrophobicContact CG2-CB 4.07Å; I74-L106 HydrophobicContact CG2-CD1 3.54Å; I74-L106 HydrophobicContact CG2-CD2 4.39Å; I74-L106 HydrophobicContact CG2-CG 4.19Å; P102-L106 WeakPolarHBondContact O-CB 3.39Å; P102-L106 PolarHBondContact O-N 3.41Å; M103-L106 HydrophobicContact CE-CD2 4.48Å; M103-L106 PolarHBondContact O-N 3.18Å; M103-L106 HydrophobicContact SD-CD2 3.87Å; L106-Q108 VanDerWaalsContact C-N 3.26Å; L106-Q108 PolarHBondContact O-N 3.03Å; L106-T109 PolarHBondContact O-N 3.22Å; L106-T109 PolarHBondContact O-OG1 2.8Å; L106-Q110 HydrophobicContact CD1-CB 3.99Å; L106-Q110 CarbonylContact O-C 3.48Å; L106-Q110 VanDerWaalsContact O-C 3.25Å; L106-Q110 WeakPolarHBondContact O-CA 3.23Å; L106-Q110 PolarHBondContact O-N 3.16Å; L106-R113 HydrophobicContact CD1-CB 4.11Å; L106-L117 HydrophobicContact CD2-CD1 4.04Å
107K86.3Confident85.5Confident116 Ų11673.4 Ų73.450%0.50435%0.354SS..Hα-helixtrans-60.3-35.6177.8-173.4178.1-179.4174.10112.8M103 I104 M105 Y114M103-K107 PolarHBondContact O-N 3.11Å; I104-K107 WeakPolarHBondContact O-CB 3Å; I104-K107 PolarHBondContact O-N 3.29Å; M105-K107 VanDerWaalsContact C-N 3.32Å; M105-K107 PolarHBondContact O-N 2.98Å; K107-Y114 HydrophobicContact CB-CD1 4.32Å; K107-Y114 HydrophobicContact CB-CD2 3.85Å; K107-Y114 HydrophobicContact CB-CE2 4.18Å; K107-Y114 HydrophobicContact CB-CG 3.94Å; K107-Y114 HydrophobicContact CD-CD1 4.26Å; K107-Y114 HydrophobicContact CD-CE1 3.95Å; K107-Y114 HydrophobicContact CD-CE2 4.42Å; K107-Y114 HydrophobicContact CG-CD1 4.01Å; K107-Y114 HydrophobicContact CG-CD2 4.41Å; K107-Y114 HydrophobicContact CG-CE1 4.22Å; K107-Y114 HydrophobicContact CG-CG 4.13Å
108Q85.4Confident85.4Confident150 Ų15076.7 Ų76.770%0.70137%0.369SS*.Hα-helixtrans-78.9-38.7179.3-67.6178.69.500112.5I104 M105 L106I104-Q108 WeakPolarHBondContact O-CG 3.4Å; I104-Q108 PolarHBondContact O-N 3.1Å; M105-Q108 PolarHBondContact O-N 3.22Å; L106-Q108 VanDerWaalsContact C-N 3.26Å; L106-Q108 PolarHBondContact O-N 3.03Å
109T86.1Confident85.3Confident88 Ų8872.5 Ų72.554%0.5436%0.36SS..Hα-helixtrans-87.2-39.3-174.453.20000113.3M105 L106M105-T109 WeakPolarHBondContact O-CB 3.31Å; M105-T109 WeakPolarHBondContact O-CG2 3.48Å; M105-T109 PolarHBondContact O-N 3.02Å; M105-T109 PolarHBondContact O-OG1 3.04Å; L106-T109 PolarHBondContact O-N 3.22Å; L106-T109 PolarHBondContact O-OG1 2.8Å
110Q86.2Confident85.1Confident90 Ų9066 Ų6642%0.42133%0.33SS..  trans-141.576.7-174-65-178.3-1.700110.6L106 E112 R113 Y114L106-Q110 HydrophobicContact CD1-CB 3.99Å; L106-Q110 CarbonylContact O-C 3.48Å; L106-Q110 VanDerWaalsContact O-C 3.25Å; L106-Q110 WeakPolarHBondContact O-CA 3.23Å; L106-Q110 PolarHBondContact O-N 3.16Å; Q110-E112 VanDerWaalsContact C-N 3.28Å; Q110-E112 PolarHBondContact O-N 3.2Å; Q110-R113 PolarHBondContact O-N 2.99Å; Q110-Y114 PolarHBondContact O-N 2.87Å
111P85.2Confident84.9Confident70 Ų7065.4 Ų65.446%0.45533%0.326SS..Hα-helixtrans-63.5-30.5-174.424.9-34.3000113.4Y114 I115P111-Y114 PolarHBondContact O-N 3.27Å; P111-I115 WeakPolarHBondContact O-CB 3.46Å; P111-I115 WeakPolarHBondContact O-CD1 3.34Å; P111-I115 VanDerWaalsContact O-CG1 3.23Å; P111-I115 WeakPolarHBondContact O-CG1 3.26Å; P111-I115 PolarHBondContact O-N 3.32Å
112E85.7Confident84.7Confident167 Ų16763.3 Ų63.378%0.7833%0.326SS*.Hα-helixtrans-63.5-41.8179.8-64.1-176.7172.900112.6Q110 I115 H116Q110-E112 VanDerWaalsContact C-N 3.28Å; Q110-E112 PolarHBondContact O-N 3.2Å; E112-I115 PolarHBondContact O-N 3.35Å; E112-H116 WeakPolarHBondContact O-CB 3.36Å; E112-H116 PolarHBondContact O-N 2.9Å
113R84.8Confident84.4Confident66 Ų6667.3 Ų67.325%0.24934%0.338CS..Hα-helixtrans-65.7-40.7175.9-77.5174.376.2172.45.1111.9D75 E78 L106 Q110 H116 L117D75-R113 IonicContact OD1-CZ 3.45Å; D75-R113 IonicContact OD1-NH1 3.51Å; D75-R113 PolarHBondContact OD1-NH1 3.47Å; D75-R113 IonicContact OD1-NH2 2.8Å; D75-R113 PolarHBondContact OD1-NH2 2.75Å; E78-R113 IonicContact OE1-NH2 3.82Å; E78-R113 IonicContact OE2-CZ 2.75Å; E78-R113 IonicContact OE2-NE 3.55Å; E78-R113 PolarHBondContact OE2-NE 2.88Å; E78-R113 IonicContact OE2-NH2 3.52Å; E78-R113 PolarHBondContact OE2-NH2 3.39Å; L106-R113 HydrophobicContact CD1-CB 4.11Å; Q110-R113 PolarHBondContact O-N 2.99Å; R113-H116 WeakPolarHBondContact O-CB 3.29Å; R113-H116 PolarHBondContact O-N 2.72Å; R113-L117 WeakPolarHBondContact O-CG 3.49Å; R113-L117 PolarHBondContact O-N 2.7Å; R113-L117 VanDerWaalsContact O-N 3.1Å
114Y86.6Confident83.5Confident14 Ų1472 Ų726%0.05537%0.371CS..Hα-helixtrans-65.4-43.6178-178.4-85.4000111.5L97 K107 Q110 P111 H116 L117 E118L97-Y114 HydrophobicContact CD1-CE2 4.42Å; L97-Y114 HydrophobicContact CD2-CE1 4.3Å; L97-Y114 HydrophobicContact CD2-CE2 3.61Å; L97-Y114 VanDerWaalsContact CD2-CZ 3.46Å; L97-Y114 WeakPolarHBondContact CD2-OH 3.18Å; L97-Y114 HydrophobicContact CG-CD2 4.47Å; L97-Y114 HydrophobicContact CG-CE2 3.75Å; K107-Y114 HydrophobicContact CB-CD1 4.32Å; K107-Y114 HydrophobicContact CB-CD2 3.85Å; K107-Y114 HydrophobicContact CB-CE2 4.18Å; K107-Y114 HydrophobicContact CB-CG 3.94Å; K107-Y114 HydrophobicContact CD-CD1 4.26Å; K107-Y114 HydrophobicContact CD-CE1 3.95Å; K107-Y114 HydrophobicContact CD-CE2 4.42Å; K107-Y114 HydrophobicContact CG-CD1 4.01Å; K107-Y114 HydrophobicContact CG-CD2 4.41Å; K107-Y114 HydrophobicContact CG-CE1 4.22Å; K107-Y114 HydrophobicContact CG-CG 4.13Å; Q110-Y114 PolarHBondContact O-N 2.87Å; P111-Y114 PolarHBondContact O-N 3.27Å; Y114-H116 VanDerWaalsContact C-N 3.31Å; Y114-H116 PolarHBondContact O-N 3.37Å; Y114-L117 PolarHBondContact O-N 2.83Å; Y114-E118 HydrophobicContact CD1-CG 4.3Å; Y114-E118 HydrophobicContact CE1-CG 3.79Å; Y114-E118 WeakPolarHBondContact CE1-OE1 3.39Å; Y114-E118 PolarHBondContact O-N 3.38Å; Y114-E118 PolarHBondContact OH-OE1 2.89Å
115I85.5Confident82.8Confident87 Ų8775.2 Ų75.245%0.44638%0.379SS..Hα-helixtrans-63.5-38.2175.6-68163000110.9P111 E112 L117 E118 N119P111-I115 WeakPolarHBondContact O-CB 3.46Å; P111-I115 WeakPolarHBondContact O-CD1 3.34Å; P111-I115 VanDerWaalsContact O-CG1 3.23Å; P111-I115 WeakPolarHBondContact O-CG1 3.26Å; P111-I115 PolarHBondContact O-N 3.32Å; E112-I115 PolarHBondContact O-N 3.35Å; I115-L117 PolarHBondContact O-N 3.19Å; I115-E118 PolarHBondContact O-N 2.85Å; I115-N119 WeakPolarHBondContact O-CB 3.27Å; I115-N119 VanDerWaalsContact O-CG 3.23Å; I115-N119 PolarHBondContact O-N 2.87Å; I115-N119 PolarHBondContact O-ND2 3.38Å
116H85.7Confident82.5Confident66 Ų6674.2 Ų74.231%0.30637%0.373SS..Hα-helixtrans-58.7-45.9174.3-173.960.5000112E112 R113 Y114 N119 L120 E130E112-H116 WeakPolarHBondContact O-CB 3.36Å; E112-H116 PolarHBondContact O-N 2.9Å; R113-H116 WeakPolarHBondContact O-CB 3.29Å; R113-H116 PolarHBondContact O-N 2.72Å; Y114-H116 VanDerWaalsContact C-N 3.31Å; Y114-H116 PolarHBondContact O-N 3.37Å; H116-N119 PolarHBondContact O-N 2.91Å; H116-L120 WeakPolarHBondContact O-CG 3.17Å; H116-L120 PolarHBondContact O-N 2.95Å; H116-E130 PolarHBondContact CE1-O 3.45Å; H116-E130 PolarHBondContact NE2-O 3.1Å
117L83.5Confident82Confident0 Ų076.8 Ų76.80%039%0.387CS..Hα-helixtrans-64.4-40175.7-67.4167.2000112.7E78 V81 L82 L97 M103 L106 R113 Y114 I115 L120 L121E78-L117 HydrophobicContact CG-CD1 3.82Å; E78-L117 HydrophobicContact CG-CD2 3.99Å; E78-L117 HydrophobicContact CG-CG 4.41Å; V81-L117 HydrophobicContact CG1-CD2 4.34Å; L82-L117 HydrophobicContact CD2-CD2 3.73Å; L82-L117 HydrophobicContact CG-CD2 3.99Å; L97-L117 HydrophobicContact CD1-CB 3.74Å; L97-L117 HydrophobicContact CD1-CD1 4.17Å; M103-L117 HydrophobicContact SD-CD1 4.5Å; L106-L117 HydrophobicContact CD2-CD1 4.04Å; R113-L117 WeakPolarHBondContact O-CG 3.49Å; R113-L117 PolarHBondContact O-N 2.7Å; R113-L117 VanDerWaalsContact O-N 3.1Å; Y114-L117 PolarHBondContact O-N 2.83Å; I115-L117 PolarHBondContact O-N 3.19Å; L117-L120 PolarHBondContact O-N 3.01Å; L117-L121 WeakPolarHBondContact O-CG 3.5Å; L117-L121 PolarHBondContact O-N 3.46Å
118E84.3Confident81.3Confident72 Ų7274.9 Ų74.934%0.33639%0.386SS..Hα-helixtrans-64.5-39174.8-76.6-165.8153.400112.4L97 Y114 I115 L121 A122L97-E118 HydrophobicContact CD2-CG 3.65Å; Y114-E118 HydrophobicContact CD1-CG 4.3Å; Y114-E118 HydrophobicContact CE1-CG 3.79Å; Y114-E118 WeakPolarHBondContact CE1-OE1 3.39Å; Y114-E118 PolarHBondContact O-N 3.38Å; Y114-E118 PolarHBondContact OH-OE1 2.89Å; I115-E118 PolarHBondContact O-N 2.85Å; E118-L121 PolarHBondContact O-N 2.98Å; E118-A122 PolarHBondContact O-N 3.22Å; E118-A122 VanDerWaalsContact O-N 3.07Å
119N85.3Confident80.6Confident90 Ų9077.9 Ų77.948%0.48139%0.391SS..Hα-helixtrans-64.2-40.4175.4-73.7-25.4000111.6I115 H116 L121 A122 R123I115-N119 WeakPolarHBondContact O-CB 3.27Å; I115-N119 VanDerWaalsContact O-CG 3.23Å; I115-N119 PolarHBondContact O-N 2.87Å; I115-N119 PolarHBondContact O-ND2 3.38Å; H116-N119 PolarHBondContact O-N 2.91Å; N119-L121 VanDerWaalsContact C-N 3.34Å; N119-A122 PolarHBondContact O-N 3.31Å; N119-R123 PolarHBondContact O-N 2.98Å
120L81.7Confident79.9Confident9 Ų976.9 Ų76.95%0.04738%0.38CS..Hα-helixtrans-63.7-37.8173.9-71.8174.7000112.1L82 I85 H116 L117 A122 R123 E130L82-L120 HydrophobicContact CD2-CD1 3.74Å; I85-L120 HydrophobicContact CD1-CB 4.2Å; H116-L120 WeakPolarHBondContact O-CG 3.17Å; H116-L120 PolarHBondContact O-N 2.95Å; L117-L120 PolarHBondContact O-N 3.01Å; L120-A122 VanDerWaalsContact C-N 3.3Å; L120-A122 PolarHBondContact O-N 3.1Å; L120-R123 PolarHBondContact O-N 2.81Å; L120-E130 HydrophobicContact CD2-CB 4.33Å
121L81.6Confident79.2Confident8 Ų872.7 Ų72.74%0.04236%0.361CS..Hα-helixtrans-71.1-20.1176-78.9166.1000114.7I85 L90 A93 R94 L97 L117 E118 N119I85-L121 HydrophobicContact CD1-CD2 3.87Å; I85-L121 HydrophobicContact CD1-CG 3.78Å; I85-L121 HydrophobicContact CG1-CD2 3.54Å; I85-L121 HydrophobicContact CG1-CG 4.05Å; L90-L121 HydrophobicContact CD2-CD2 4.26Å; A93-L121 HydrophobicContact CB-CD2 3.57Å; R94-L121 HydrophobicContact CG-CD1 4.33Å; R94-L121 HydrophobicContact CG-CD2 4.24Å; R94-L121 PolarHBondContact NH2-O 3.27Å; L97-L121 HydrophobicContact CB-CD1 4.47Å; L97-L121 HydrophobicContact CD1-CD1 4.07Å; L97-L121 HydrophobicContact CD2-CD1 4.29Å; L117-L121 WeakPolarHBondContact O-CG 3.5Å; L117-L121 PolarHBondContact O-N 3.46Å; E118-L121 PolarHBondContact O-N 2.98Å; N119-L121 VanDerWaalsContact C-N 3.34Å
122A80.1Confident78.8Confident78 Ų7870.2 Ų70.265%0.64534%0.343SS*.Hα-helixtrans-87.1-18.7179.800000112.8E118 N119 L120E118-A122 PolarHBondContact O-N 3.22Å; E118-A122 VanDerWaalsContact O-N 3.07Å; N119-A122 PolarHBondContact O-N 3.31Å; L120-A122 VanDerWaalsContact C-N 3.3Å; L120-A122 PolarHBondContact O-N 3.1Å
123R77.4Confident77.7Confident106 Ų10667.1 Ų67.140%0.434%0.337SS..SBendtrans-82.2154.3-178.6-71.8-173.7-179.4-167.66.9112.5N119 L120 E130N119-R123 PolarHBondContact O-N 2.98Å; L120-R123 PolarHBondContact O-N 2.81Å; R123-E130 IonicContact CZ-OE1 2.76Å; R123-E130 IonicContact CZ-OE2 3.34Å; R123-E130 IonicContact NH1-OE1 3.88Å; R123-E130 PolarHBondContact NH1-OE1 3.4Å; R123-E130 IonicContact NH1-OE2 3.16Å; R123-E130 PolarHBondContact NH1-OE2 2.9Å; R123-E130 IonicContact NH2-OE1 3.75Å; R123-E130 PolarHBondContact NH2-OE1 3.24Å; R123-E130 IonicContact NH2-OE2 2.93Å
124S67.3Low76.6Confident98 Ų9871.3 Ų71.369%0.68537%0.365SS*.SBendtrans-84.9-15.1-178.453.10000114
125Y70.9Confident75.3Confident138 Ų13874.2 Ų74.254%0.54140%0.399SS..SBendtrans-135.7142.1177.455.5-90000110.1
126F76.8Confident74.6Confident45 Ų4571.7 Ų71.720%0.19739%0.389CS..  trans-85.7123.1174.6179.8-106.1000109.1I85 E86 P128 A131I85-F126 HydrophobicContact CB-CD2 4.29Å; I85-F126 HydrophobicContact CB-CE2 4.49Å; I85-F126 HydrophobicContact CG2-CD2 3.59Å; I85-F126 HydrophobicContact CG2-CE2 4.2Å; I85-F126 HydrophobicContact CG2-CG 4.45Å; E86-F126 HydrophobicContact CB-CD1 4.16Å; E86-F126 HydrophobicContact CB-CE1 4Å; E86-F126 HydrophobicContact CB-CZ 4.25Å; E86-F126 HydrophobicContact CG-CD1 4.09Å; E86-F126 HydrophobicContact CG-CE1 3.98Å; F126-P128 HydrophobicContact CD1-CG 4.19Å; F126-P128 HydrophobicContact CE1-CB 4.42Å; F126-P128 HydrophobicContact CE1-CG 4.11Å; F126-A131 HydrophobicContact CE1-CB 4.35Å; F126-A131 HydrophobicContact CE2-CB 3.58Å; F126-A131 HydrophobicContact CZ-CB 3.4Å
127D75.9Confident74.2Confident55 Ų5571.4 Ų71.429%0.29440%0.395SS..  trans-103.1110.6172.3-166.6-21000109.7R129 E130 A131D127-R129 PolarHBondContact O-N 3.01Å; D127-R129 VanDerWaalsContact O-N 3.11Å; D127-R129 WeakPolarHBondContact OD1-CB 3.46Å; D127-R129 PolarHBondContact OD1-N 3.31Å; D127-E130 HydrophobicContact CB-CB 4.48Å; D127-E130 PolarHBondContact O-N 2.75Å; D127-A131 PolarHBondContact O-N 3.09Å
128P70.7Confident74.1Confident75 Ų7573.9 Ų73.949%0.48741%0.405SS..Hα-helixtrans-58.1-23178.4-25.935.1000114.2F126 Y132F126-P128 HydrophobicContact CD1-CG 4.19Å; F126-P128 HydrophobicContact CE1-CB 4.42Å; F126-P128 HydrophobicContact CE1-CG 4.11Å; P128-Y132 WeakPolarHBondContact O-CD2 3.5Å; P128-Y132 PolarHBondContact O-N 2.76Å
129R71.4Confident74Confident214 Ų21477.4 Ų77.481%0.80842%0.422SS*.Hα-helixtrans-78.1-31.8-179.2-65.4179.8174.8-177-1113D127 Y132D127-R129 PolarHBondContact O-N 3.01Å; D127-R129 VanDerWaalsContact O-N 3.11Å; D127-R129 WeakPolarHBondContact OD1-CB 3.46Å; D127-R129 PolarHBondContact OD1-N 3.31Å; R129-Y132 CarbonylContact O-C 3.54Å
130E71.5Confident74Confident66 Ų6680 Ų8031%0.30843%0.429SS..Hα-helixtrans-81.8-30.5174.2-72-175.3167.100111.9H116 L120 R123 D127 Y132H116-E130 PolarHBondContact CE1-O 3.45Å; H116-E130 PolarHBondContact NE2-O 3.1Å; L120-E130 HydrophobicContact CD2-CB 4.33Å; R123-E130 IonicContact CZ-OE1 2.76Å; R123-E130 IonicContact CZ-OE2 3.34Å; R123-E130 IonicContact NH1-OE1 3.88Å; R123-E130 PolarHBondContact NH1-OE1 3.4Å; R123-E130 IonicContact NH1-OE2 3.16Å; R123-E130 PolarHBondContact NH1-OE2 2.9Å; R123-E130 IonicContact NH2-OE1 3.75Å; R123-E130 PolarHBondContact NH2-OE1 3.24Å; R123-E130 IonicContact NH2-OE2 2.93Å; D127-E130 HydrophobicContact CB-CB 4.48Å; D127-E130 PolarHBondContact O-N 2.75Å; E130-Y132 VanDerWaalsContact C-N 3.29Å; E130-Y132 PolarHBondContact O-N 2.95Å
131A70.8Confident74.1Confident3 Ų381.9 Ų81.93%0.02544%0.435CS..Hα-helixtrans-68.7-28.717600000112.8L82 F126 D127L82-A131 HydrophobicContact CD2-CB 4.24Å; F126-A131 HydrophobicContact CE1-CB 4.35Å; F126-A131 HydrophobicContact CE2-CB 3.58Å; F126-A131 HydrophobicContact CZ-CB 3.4Å; D127-A131 PolarHBondContact O-N 3.09Å
132Y77.1Confident74.2Confident18 Ų1882.8 Ų82.87%0.07144%0.438CS..SBendtrans-130.980.8179.2-58-82.7000111Q79 P128 R129 E130 D134 G135 S136 K138 R141Q79-Y132 PolarHBondContact NE2-OH 2.76Å; P128-Y132 WeakPolarHBondContact O-CD2 3.5Å; P128-Y132 PolarHBondContact O-N 2.76Å; R129-Y132 CarbonylContact O-C 3.54Å; E130-Y132 VanDerWaalsContact C-N 3.29Å; E130-Y132 PolarHBondContact O-N 2.95Å; Y132-D134 PolarHBondContact O-N 2.96Å; Y132-D134 VanDerWaalsContact O-N 3.12Å; Y132-G135 PolarHBondContact O-N 3.42Å; Y132-S136 WeakPolarHBondContact CB-O 3.49Å; Y132-K138 HydrophobicContact CE2-CB 4.36Å; Y132-R141 HydrophobicContact CE1-CB 4.33Å
133P63.3Low74.5Confident102 Ų10281.2 Ų81.266%0.66243%0.425SS*.THydrogen-bonded Turntrans-59.4-27.3-171.9-24.934.3000114.8G135P133-G135 PolarHBondContact O-N 3.39Å
134D60.7Low74.9Confident153 Ų15378.9 Ų78.982%0.81843%0.429SS*.THydrogen-bonded Turntrans-89.68.3-174.2-64.4-30.3000114.4Y132 S136Y132-D134 PolarHBondContact O-N 2.96Å; Y132-D134 VanDerWaalsContact O-N 3.12Å; D134-S136 PolarHBondContact O-N 2.84Å
135G60.6Low75.8Confident75 Ų7574.8 Ų74.877%0.77340%0.399SS*.SBendtrans67.612.9-172.300000113.5Y132 P133Y132-G135 PolarHBondContact O-N 3.42Å; P133-G135 PolarHBondContact O-N 3.39Å
136S69.5Low76.6Confident35 Ų3568.3 Ų68.325%0.24537%0.373CS..  trans-68.5131.4170.755.60000110.3Y132 D134Y132-S136 WeakPolarHBondContact CB-O 3.49Å; D134-S136 PolarHBondContact O-N 2.84Å
137S78Confident77Confident60 Ų6073.5 Ų73.542%0.4240%0.398SS..  trans-74155.4170.464.10000111.1E139 K140 R141S137-E139 PolarHBondContact O-N 2.98Å; S137-K140 PolarHBondContact O-N 3.3Å; S137-K140 PolarHBondContact OG-N 3.39Å; S137-R141 PolarHBondContact O-N 3.45Å; S137-R141 VanDerWaalsContact O-N 3.13Å
138K81.5Confident77.4Confident52 Ų5273.1 Ų73.123%0.22640%0.403CS..Hα-helixtrans-45.5-46.2168.8175.4176.4176166.40112.2E83 E86 Y132 K140 R141 R142E83-K138 HydrophobicContact CG-CD 4.45Å; E83-K138 WeakPolarHBondContact OE1-CE 3.42Å; E83-K138 IonicContact OE2-NZ 3.16Å; E86-K138 IonicContact OE2-NZ 3.94Å; E86-K138 PolarHBondContact OE2-NZ 3.38Å; Y132-K138 HydrophobicContact CE2-CB 4.36Å; K138-K140 PolarHBondContact O-N 2.94Å; K138-R141 PolarHBondContact O-N 2.95Å; K138-R142 VanDerWaalsContact CE-CZ 3.45Å; K138-R142 WeakPolarHBondContact O-CG 3.44Å; K138-R142 PolarHBondContact O-N 3.39Å
139E82.5Confident78Confident145 Ų14569.6 Ų69.668%0.67838%0.38SS*.Hα-helixtrans-63.1-40.6179.8-65172.3177.400112.8S137 R141 R142 A143S137-E139 PolarHBondContact O-N 2.98Å; E139-R141 VanDerWaalsContact C-N 3.34Å; E139-R141 PolarHBondContact O-N 3.17Å; E139-R142 PolarHBondContact O-N 3.38Å; E139-A143 WeakPolarHBondContact O-CB 3.33Å; E139-A143 PolarHBondContact O-N 3.18Å
140K84.3Confident78.5Confident146 Ų14660.7 Ų60.764%0.63535%0.352SS*.Hα-helixtrans-67.6-36.7179.1-167177.1-177.8-177.60111.6S137 K138 A144S137-K140 PolarHBondContact O-N 3.3Å; S137-K140 PolarHBondContact OG-N 3.39Å; K138-K140 PolarHBondContact O-N 2.94Å; K140-A144 PolarHBondContact O-N 3.33Å; K140-A144 VanDerWaalsContact O-N 3.08Å
141R83.7Confident78.9Confident48 Ų4860.8 Ų60.818%0.18137%0.371CS..Hα-helixtrans-69.7-42.7175.2-172.5165.7175.4179.36111.7E78 Y132 S137 K138 E139 A143 A144 I145E78-R141 IonicContact OE1-CZ 2.63Å; E78-R141 IonicContact OE1-NH1 3.7Å; E78-R141 PolarHBondContact OE1-NH1 3.44Å; E78-R141 IonicContact OE1-NH2 3.67Å; E78-R141 PolarHBondContact OE1-NH2 3.23Å; E78-R141 IonicContact OE2-NH2 2.72Å; Y132-R141 HydrophobicContact CE1-CB 4.33Å; S137-R141 PolarHBondContact O-N 3.45Å; S137-R141 VanDerWaalsContact O-N 3.13Å; K138-R141 PolarHBondContact O-N 2.95Å; E139-R141 VanDerWaalsContact C-N 3.34Å; E139-R141 PolarHBondContact O-N 3.17Å; R141-A143 VanDerWaalsContact C-N 3.34Å; R141-A143 PolarHBondContact O-N 3.12Å; R141-A144 PolarHBondContact O-N 2.93Å; R141-I145 HydrophobicContact CG-CD1 4.04Å; R141-I145 WeakPolarHBondContact O-CG1 3.14Å; R141-I145 PolarHBondContact O-N 2.81Å
142R85Confident79.2Confident27 Ų2764.9 Ų64.910%0.10239%0.389CS..Hα-helixtrans-57.1-46.6171.9-74.1179.1177.3-169.8-5.9111.8N52 S53 W56 Q79 E83 K138 E139 A144 I145 A146N52-R142 WeakPolarHBondContact O-CD 3.37Å; N52-R142 PolarHBondContact O-NH1 3.08Å; S53-R142 PolarHBondContact O-NH1 2.78Å; W56-R142 HydrophobicContact CZ2-CG 4.49Å; Q79-R142 HydrophobicContact CG-CG 4.44Å; E83-R142 IonicContact OE1-CZ 3.19Å; E83-R142 IonicContact OE1-NE 3.29Å; E83-R142 PolarHBondContact OE1-NE 3.48Å; E83-R142 IonicContact OE1-NH2 2.92Å; E83-R142 PolarHBondContact OE1-NH2 3.49Å; E83-R142 VanDerWaalsContact OE1-NH2 3.16Å; E83-R142 IonicContact OE2-CZ 3.34Å; E83-R142 IonicContact OE2-NE 3.49Å; E83-R142 IonicContact OE2-NH2 2.72Å; E83-R142 PolarHBondContact OE2-NH2 3.12Å; K138-R142 VanDerWaalsContact CE-CZ 3.45Å; K138-R142 WeakPolarHBondContact O-CG 3.44Å; K138-R142 PolarHBondContact O-N 3.39Å; E139-R142 PolarHBondContact O-N 3.38Å; R142-A144 VanDerWaalsContact C-N 3.34Å; R142-A144 PolarHBondContact O-N 3.05Å; R142-I145 PolarHBondContact O-N 2.95Å; R142-A146 VanDerWaalsContact O-CB 3.32Å; R142-A146 WeakPolarHBondContact O-CB 3.38Å; R142-A146 PolarHBondContact O-N 3.12Å
143A85.9Confident79.2Confident45 Ų4564.5 Ų64.537%0.37239%0.389SS..Hα-helixtrans-62.5-39.6178.900000112.5E139 R141 A146 Q147E139-A143 WeakPolarHBondContact O-CB 3.33Å; E139-A143 PolarHBondContact O-N 3.18Å; R141-A143 VanDerWaalsContact C-N 3.34Å; R141-A143 PolarHBondContact O-N 3.12Å; A143-A146 PolarHBondContact O-N 3.28Å; A143-Q147 WeakPolarHBondContact O-CB 3.39Å; A143-Q147 PolarHBondContact O-N 3.28Å
144A86.5Confident79.6Confident57 Ų5761.2 Ų61.247%0.47137%0.368SS..Hα-helixtrans-65.3-42.4176.200000112.3K140 R141 R142 Q147 A148K140-A144 PolarHBondContact O-N 3.33Å; K140-A144 VanDerWaalsContact O-N 3.08Å; R141-A144 PolarHBondContact O-N 2.93Å; R142-A144 VanDerWaalsContact C-N 3.34Å; R142-A144 PolarHBondContact O-N 3.05Å; A144-Q147 PolarHBondContact O-N 2.99Å; A144-A148 WeakPolarHBondContact O-CB 3.4Å; A144-A148 PolarHBondContact O-N 3.33Å
145I86.4Confident80.2Confident12 Ų1256.9 Ų56.96%0.06235%0.347CS..Hα-helixtrans-65.3-44.4175.5-66.8164.9000110.2D75 L76 Q79 R141 R142 Q147 A148 L149D75-I145 WeakPolarHBondContact O-CD1 3.35Å; L76-I145 HydrophobicContact CB-CG2 4.13Å; L76-I145 HydrophobicContact CD1-CG2 3.96Å; Q79-I145 HydrophobicContact CB-CD1 3.57Å; Q79-I145 HydrophobicContact CG-CD1 3.94Å; R141-I145 HydrophobicContact CG-CD1 4.04Å; R141-I145 WeakPolarHBondContact O-CG1 3.14Å; R141-I145 PolarHBondContact O-N 2.81Å; R142-I145 PolarHBondContact O-N 2.95Å; I145-Q147 VanDerWaalsContact C-N 3.31Å; I145-Q147 PolarHBondContact O-N 3.42Å; I145-A148 PolarHBondContact O-N 3.37Å; I145-L149 HydrophobicContact CG2-CD1 3.62Å; I145-L149 HydrophobicContact CG2-CG 4.35Å; I145-L149 WeakPolarHBondContact O-CB 3.47Å; I145-L149 VanDerWaalsContact O-CG 3.29Å; I145-L149 WeakPolarHBondContact O-CG 3.41Å; I145-L149 PolarHBondContact O-N 2.9Å
146A86.4Confident80.5Confident1 Ų154.4 Ų54.41%0.00832%0.317CS..Hα-helixtrans-60.6-4117700000111.8V48 I51 R142 A143 L149 A150V48-A146 HydrophobicContact CG1-CB 4.12Å; V48-A146 HydrophobicContact CG2-CB 4.49Å; I51-A146 HydrophobicContact CB-CB 4.06Å; I51-A146 HydrophobicContact CD1-CB 4.24Å; I51-A146 HydrophobicContact CG2-CB 3.79Å; R142-A146 VanDerWaalsContact O-CB 3.32Å; R142-A146 WeakPolarHBondContact O-CB 3.38Å; R142-A146 PolarHBondContact O-N 3.12Å; A143-A146 PolarHBondContact O-N 3.28Å; A146-L149 PolarHBondContact O-N 2.87Å; A146-A150 WeakPolarHBondContact O-CB 3.22Å; A146-A150 PolarHBondContact O-N 2.92Å
147Q85.8Confident80.4Confident154 Ų15455.6 Ų55.672%0.7232%0.324SS*.Hα-helixtrans-68.1-41.2176.9-171.8175.84.700112.3A143 A144 I145 L149 A150 G151A143-Q147 WeakPolarHBondContact O-CB 3.39Å; A143-Q147 PolarHBondContact O-N 3.28Å; A144-Q147 PolarHBondContact O-N 2.99Å; I145-Q147 VanDerWaalsContact C-N 3.31Å; I145-Q147 PolarHBondContact O-N 3.42Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-A150 PolarHBondContact O-N 3.47Å; Q147-G151 PolarHBondContact O-N 2.95Å
148A84.6Confident79.8Confident47 Ų4757.4 Ų57.439%0.38833%0.334SS..Hα-helixtrans-62.8-42.2175.600000111.5T72 A144 I145 G151 E152T72-A148 HydrophobicContact CG2-CB 4.42Å; A144-A148 WeakPolarHBondContact O-CB 3.4Å; A144-A148 PolarHBondContact O-N 3.33Å; I145-A148 PolarHBondContact O-N 3.37Å; A148-G151 PolarHBondContact O-N 2.93Å; A148-E152 WeakPolarHBondContact O-CG 3.45Å
149L83.4Confident79.3Confident2 Ų258.1 Ų58.11%0.0135%0.346CS..Hα-helixtrans-73-35.7178.4-67.4166.4000112.6F47 I51 L68 L76 I145 A146 Q147 G151 E152 V153F47-L149 HydrophobicContact CE1-CB 4Å; I51-L149 HydrophobicContact CD1-CB 4.47Å; I51-L149 HydrophobicContact CD1-CD1 3.75Å; L68-L149 HydrophobicContact CD1-CD2 3.63Å; L68-L149 HydrophobicContact CD2-CD2 4.42Å; L76-L149 HydrophobicContact CD1-CD1 3.51Å; I145-L149 HydrophobicContact CG2-CD1 3.62Å; I145-L149 HydrophobicContact CG2-CG 4.35Å; I145-L149 WeakPolarHBondContact O-CB 3.47Å; I145-L149 VanDerWaalsContact O-CG 3.29Å; I145-L149 WeakPolarHBondContact O-CG 3.41Å; I145-L149 PolarHBondContact O-N 2.9Å; A146-L149 PolarHBondContact O-N 2.87Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; L149-G151 PolarHBondContact O-N 3.02Å; L149-E152 PolarHBondContact O-N 3.16Å; L149-E152 VanDerWaalsContact O-N 3.14Å; L149-V153 VanDerWaalsContact O-CG2 3.31Å; L149-V153 WeakPolarHBondContact O-CG2 3.38Å; L149-V153 PolarHBondContact O-N 3.1Å
150A81.8Confident79.1Confident27 Ų2756.8 Ų56.822%0.22334%0.335CS..Hα-helixtrans-63.9-29.217500000112.6I44 V48 A146 Q147 E152I44-A150 HydrophobicContact CG2-CB 4.05Å; V48-A150 HydrophobicContact CG2-CB 3.89Å; A146-A150 WeakPolarHBondContact O-CB 3.22Å; A146-A150 PolarHBondContact O-N 2.92Å; Q147-A150 PolarHBondContact O-N 3.47Å; A150-E152 VanDerWaalsContact C-N 3.33Å
151G78.6Confident78.8Confident68 Ų6851.6 Ų51.670%0.70131%0.314SS*.Hα-helixtrans-71.4-2617400000114.1Q147 A148 L149Q147-G151 PolarHBondContact O-N 2.95Å; A148-G151 PolarHBondContact O-N 2.93Å; L149-G151 PolarHBondContact O-N 3.02Å
152E76.9Confident78.4Confident88 Ų8853.7 Ų53.741%0.41133%0.327SS..Hα-helixtrans-95.1-10.9-176.9-64.8-66.3165.300113.2N39 L68 A148 L149 A150N39-E152 WeakPolarHBondContact CB-O 3.47Å; N39-E152 PolarHBondContact ND2-O 3.46Å; L68-E152 HydrophobicContact CD2-CB 3.99Å; A148-E152 WeakPolarHBondContact O-CG 3.45Å; L149-E152 PolarHBondContact O-N 3.16Å; L149-E152 VanDerWaalsContact O-N 3.14Å; A150-E152 VanDerWaalsContact C-N 3.33Å
153V77.6Confident78.1Confident10 Ų1054.6 Ų54.66%0.06134%0.34CS..  trans-108.7137-176.91730000110.2V41 I44 L66 L149V41-V153 HydrophobicContact CB-CG1 3.66Å; V41-V153 HydrophobicContact CG2-CB 4.49Å; V41-V153 HydrophobicContact CG2-CG1 3.38Å; V41-V153 HydrophobicContact CG2-CG2 4.27Å; I44-V153 HydrophobicContact CG1-CG1 4.45Å; L66-V153 HydrophobicContact CD1-CG2 3.98Å; L149-V153 VanDerWaalsContact O-CG2 3.31Å; L149-V153 WeakPolarHBondContact O-CG2 3.38Å; L149-V153 PolarHBondContact O-N 3.1Å
154S72.8Confident77.9Confident33 Ų3355.8 Ų55.823%0.23134%0.34CS..BIsolated β-bridgetrans-114.3154.9175.763.30000111N39 T40 V41N39-S154 PolarHBondContact O-N 3.33Å; N39-S154 PolarHBondContact O-OG 2.93Å; T40-S154 VanDerWaalsContact CA-O 3.28Å; T40-S154 WeakPolarHBondContact CA-O 3.44Å; V41-S154 PolarHBondContact N-O 3.02Å
155V71.6Confident77.3Confident62 Ų6255.7 Ų55.738%0.37633%0.331SS..  trans-112.1116.4170.2175.30000107.3I44I44-V155 HydrophobicContact CB-CG2 4.4Å; I44-V155 HydrophobicContact CD1-CB 4.35Å; I44-V155 HydrophobicContact CD1-CG2 3.52Å; I44-V155 HydrophobicContact CG1-CG2 3.54Å
156V67Low76.8Confident24 Ų2456.5 Ų56.515%0.14534%0.343CS..  trans-108.7110.7169.5-172.30000107.1L13 Q16 T40L13-V156 HydrophobicContact CD1-CG1 4.1Å; Q16-V156 HydrophobicContact CB-CB 4.25Å; Q16-V156 HydrophobicContact CB-CG1 3.86Å; Q16-V156 HydrophobicContact CG-CB 4.01Å; Q16-V156 HydrophobicContact CG-CG1 3.71Å; T40-V156 HydrophobicContact CG2-CB 4.29Å; T40-V156 HydrophobicContact CG2-CG2 4.04Å
157P68.4Low76.5Confident60 Ų6062.2 Ų62.239%0.3937%0.369SS..  trans-58.7144.7179.3-24.633.5000111.5R160P157-R160 VanDerWaalsContact O-CB 3.26Å; P157-R160 WeakPolarHBondContact O-CB 3.38Å; P157-R160 PolarHBondContact O-N 3.34Å
158P64.3Low75.9Confident97 Ų9757.3 Ų57.363%0.6335%0.352SS*.THydrogen-bonded Turntrans-61.6145.3178.723.7-31.8000111.4E20 R160E20-P158 WeakPolarHBondContact OE1-CA 3.43Å; P158-R160 PolarHBondContact O-N 2.82Å; P158-R160 VanDerWaalsContact O-N 3.07Å
159S71.8Confident75.2Confident67 Ų6757.4 Ų57.447%0.46935%0.346SS..THydrogen-bonded Turntrans61.114.9178.7-50.90000115.6E20 L161 M162 A163E20-S159 PolarHBondContact OE1-N 3.07Å; E20-S159 PolarHBondContact OE2-N 3.24Å; E20-S159 VanDerWaalsContact OE2-N 3.12Å; S159-L161 VanDerWaalsContact C-N 3.28Å; S159-L161 PolarHBondContact O-N 3.16Å; S159-M162 PolarHBondContact O-N 3.32Å; S159-M162 VanDerWaalsContact O-N 3.13Å; S159-A163 PolarHBondContact O-N 2.78Å
160R78.9Confident74.8Confident117 Ų11764.6 Ų64.644%0.44238%0.377SS..Hα-helixtrans-58.5-37.9-178.9-174.965.6174.3-169.1-0.3112.9L13 P157 P158 M162 A163 L164L13-R160 HydrophobicContact CD1-CB 3.79Å; L13-R160 HydrophobicContact CD1-CG 3.74Å; P157-R160 VanDerWaalsContact O-CB 3.26Å; P157-R160 WeakPolarHBondContact O-CB 3.38Å; P157-R160 PolarHBondContact O-N 3.34Å; P158-R160 PolarHBondContact O-N 2.82Å; P158-R160 VanDerWaalsContact O-N 3.07Å; R160-M162 PolarHBondContact O-N 3.12Å; R160-A163 PolarHBondContact O-N 3.14Å; R160-L164 HydrophobicContact CG-CD1 4.03Å; R160-L164 HydrophobicContact CG-CG 4.4Å; R160-L164 WeakPolarHBondContact O-CB 3.47Å; R160-L164 VanDerWaalsContact O-CG 3.32Å; R160-L164 WeakPolarHBondContact O-CG 3.29Å; R160-L164 PolarHBondContact O-N 2.89Å
161L78.3Confident74.6Confident37 Ų3770.6 Ų70.619%0.19439%0.394CS..Hα-helixtrans-56.1-50.7174.8-175.393.5000111.3L13 Y17 S159 A163 L164 L165L13-L161 HydrophobicContact CD1-CB 4.47Å; L13-L161 HydrophobicContact CD2-CB 4.23Å; L13-L161 HydrophobicContact CD2-CD1 3.65Å; L13-L161 HydrophobicContact CD2-CG 4.48Å; L13-L161 HydrophobicContact CG-CB 4Å; L13-L161 HydrophobicContact CG-CD1 3.81Å; Y17-L161 HydrophobicContact CD1-CD2 4.34Å; Y17-L161 HydrophobicContact CD2-CD2 3.79Å; Y17-L161 HydrophobicContact CE2-CD2 4.35Å; Y17-L161 HydrophobicContact CG-CD2 3.78Å; S159-L161 VanDerWaalsContact C-N 3.28Å; S159-L161 PolarHBondContact O-N 3.16Å; L161-A163 PolarHBondContact O-N 2.72Å; L161-L164 PolarHBondContact O-N 3.2Å; L161-L165 HydrophobicContact CD2-CD1 4.45Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 WeakPolarHBondContact O-CB 3.37Å; L161-L165 WeakPolarHBondContact O-CG 3.23Å; L161-L165 PolarHBondContact O-N 2.99Å
162M74.1Confident74.3Confident92 Ų9271 Ų7145%0.45338%0.377SS..Hα-helixtrans-66.2-38.9-179.2-68.4-66.3112.500111.7Y17 S159 R160 L165 G166Y17-M162 HydrophobicContact CE2-CE 4.05Å; S159-M162 PolarHBondContact O-N 3.32Å; S159-M162 VanDerWaalsContact O-N 3.13Å; R160-M162 PolarHBondContact O-N 3.12Å; M162-L165 HydrophobicContact CE-CD1 3.64Å; M162-L165 PolarHBondContact O-N 3.04Å; M162-G166 PolarHBondContact O-N 3.04Å
163A80.1Confident73.9Confident47 Ų4771.3 Ų71.339%0.38838%0.379SS..Hα-helixtrans-64.3-44.8176.600000112.2S159 R160 L161 G166 Q167S159-A163 PolarHBondContact O-N 2.78Å; R160-A163 PolarHBondContact O-N 3.14Å; L161-A163 PolarHBondContact O-N 2.72Å; A163-G166 PolarHBondContact O-N 2.63Å; A163-Q167 WeakPolarHBondContact O-CG 3.2Å; A163-Q167 PolarHBondContact O-N 3.26Å
164L80.3Confident73.7Confident69 Ų6979.2 Ų79.236%0.36142%0.415SS..Hα-helixtrans-64.6-42177.4-72.7172000111.5L13 R160 L161 G166 Q167 S168L13-L164 HydrophobicContact CD2-CD1 3.93Å; R160-L164 HydrophobicContact CG-CD1 4.03Å; R160-L164 HydrophobicContact CG-CG 4.4Å; R160-L164 WeakPolarHBondContact O-CB 3.47Å; R160-L164 VanDerWaalsContact O-CG 3.32Å; R160-L164 WeakPolarHBondContact O-CG 3.29Å; R160-L164 PolarHBondContact O-N 2.89Å; L161-L164 PolarHBondContact O-N 3.2Å; L164-G166 PolarHBondContact O-N 2.81Å; L164-Q167 PolarHBondContact O-N 3.42Å; L164-S168 WeakPolarHBondContact O-CB 3.41Å; L164-S168 PolarHBondContact O-N 3.24Å
165L75.3Confident73.6Confident55 Ų5583 Ų8329%0.28843%0.429SS..Hα-helixtrans-59.5-46.9172.6-74.6167.2000111.2L161 M162 Q167 S168 L169 L186L161-L165 HydrophobicContact CD2-CD1 4.45Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 WeakPolarHBondContact O-CB 3.37Å; L161-L165 WeakPolarHBondContact O-CG 3.23Å; L161-L165 PolarHBondContact O-N 2.99Å; M162-L165 HydrophobicContact CE-CD1 3.64Å; M162-L165 PolarHBondContact O-N 3.04Å; L165-Q167 PolarHBondContact O-N 3.02Å; L165-S168 PolarHBondContact O-N 2.92Å; L165-S168 PolarHBondContact O-OG 2.61Å; L165-L169 WeakPolarHBondContact O-CG 3.15Å; L165-L169 PolarHBondContact O-N 3.34Å; L165-L186 HydrophobicContact CD2-CD2 4.42Å
166G75.3Confident73.2Confident30 Ų3083.1 Ų83.131%0.30944%0.443SS..Hα-helixtrans-60.9-39.4176.300000113.8M162 A163 L164 K170M162-G166 PolarHBondContact O-N 3.04Å; A163-G166 PolarHBondContact O-N 2.63Å; L164-G166 PolarHBondContact O-N 2.81Å; G166-K170 WeakPolarHBondContact O-CG 3.49Å; G166-K170 PolarHBondContact O-N 3.19Å; G166-K170 VanDerWaalsContact O-N 3.08Å
167Q80.1Confident73Confident120 Ų12087.7 Ų87.756%0.56147%0.466SS*.Hα-helixtrans-67-42.3175.4-74.3177.9-4.900112A163 L164 L165 L169 K170 W171A163-Q167 WeakPolarHBondContact O-CG 3.2Å; A163-Q167 PolarHBondContact O-N 3.26Å; L164-Q167 PolarHBondContact O-N 3.42Å; L165-Q167 PolarHBondContact O-N 3.02Å; Q167-L169 VanDerWaalsContact C-N 3.32Å; Q167-L169 PolarHBondContact O-N 3.3Å; Q167-K170 PolarHBondContact O-N 2.83Å; Q167-W171 WeakPolarHBondContact O-CB 3.23Å; Q167-W171 PolarHBondContact O-N 3.04Å
168S72.9Confident72.5Confident51 Ų5186.2 Ų86.236%0.35746%0.455SS..Hα-helixtrans-62.2-40.317773.80000112.1L164 L165 W171 Q172L164-S168 WeakPolarHBondContact O-CB 3.41Å; L164-S168 PolarHBondContact O-N 3.24Å; L165-S168 PolarHBondContact O-N 2.92Å; L165-S168 PolarHBondContact O-OG 2.61Å; S168-W171 PolarHBondContact O-N 3.25Å; S168-Q172 WeakPolarHBondContact O-CG 3.27Å; S168-Q172 PolarHBondContact O-N 2.83Å
169L69.9Low72.1Confident49 Ų4985.5 Ų85.526%0.25745%0.45SS..Hα-helixtrans-63.6-45.2175.5-76.3167.4000112L165 Q167 W171 Q172 Q173 L178 I184L165-L169 WeakPolarHBondContact O-CG 3.15Å; L165-L169 PolarHBondContact O-N 3.34Å; Q167-L169 VanDerWaalsContact C-N 3.32Å; Q167-L169 PolarHBondContact O-N 3.3Å; L169-W171 VanDerWaalsContact C-N 3.32Å; L169-W171 PolarHBondContact O-N 2.78Å; L169-Q172 PolarHBondContact O-N 2.91Å; L169-Q173 WeakPolarHBondContact O-CB 3.29Å; L169-Q173 PolarHBondContact O-N 2.92Å; L169-L178 HydrophobicContact CD2-CD1 4.27Å; L169-I184 HydrophobicContact CD2-CB 4.49Å; L169-I184 HydrophobicContact CD2-CD1 3.41Å; L169-I184 VanDerWaalsContact CD2-CD1 3.41Å
170K75.3Confident71.2Confident153 Ų15387.7 Ų87.767%0.66546%0.462SS*.Hα-helixtrans-62-39.5175-74.3179.6-178.4-178.20112.1G166 Q167 Q173 H174G166-K170 WeakPolarHBondContact O-CG 3.49Å; G166-K170 PolarHBondContact O-N 3.19Å; G166-K170 VanDerWaalsContact O-N 3.08Å; Q167-K170 PolarHBondContact O-N 2.83Å; K170-Q173 PolarHBondContact O-N 2.81Å; K170-H174 WeakPolarHBondContact O-CB 3.43Å; K170-H174 PolarHBondContact O-N 3.35Å
171W77.4Confident70.2Confident153 Ų15386 Ų8658%0.5848%0.481SS*.Hα-helixtrans-64.4-44.6176.7-17790.4000111.6Q167 S168 L169 Q173 H174 Q175Q167-W171 WeakPolarHBondContact O-CB 3.23Å; Q167-W171 PolarHBondContact O-N 3.04Å; S168-W171 PolarHBondContact O-N 3.25Å; L169-W171 VanDerWaalsContact C-N 3.32Å; L169-W171 PolarHBondContact O-N 2.78Å; W171-Q173 VanDerWaalsContact C-N 3.33Å; W171-Q173 PolarHBondContact O-N 2.91Å; W171-H174 PolarHBondContact O-N 3.44Å; W171-Q175 HydrophobicContact CD2-CG 3.99Å; W171-Q175 HydrophobicContact CE3-CG 4.01Å; W171-Q175 HydrophobicContact CH2-CG 3.84Å; W171-Q175 HydrophobicContact CZ2-CG 3.83Å; W171-Q175 HydrophobicContact CZ3-CG 3.93Å; W171-Q175 VanDerWaalsContact O-CG 3.31Å; W171-Q175 WeakPolarHBondContact O-CG 3.4Å; W171-Q175 PolarHBondContact O-N 3.34Å
172Q71.2Confident69.2Low77 Ų7787.4 Ų87.436%0.3649%0.488SS..Hα-helixtrans-64.1-36.4175.4-72.1177.2-200112.5S168 L169 Q175 G176 L177 L178S168-Q172 WeakPolarHBondContact O-CG 3.27Å; S168-Q172 PolarHBondContact O-N 2.83Å; L169-Q172 PolarHBondContact O-N 2.91Å; Q172-Q175 PolarHBondContact O-N 3Å; Q172-G176 PolarHBondContact O-N 2.98Å; Q172-L177 PolarHBondContact O-N 3.33Å; Q172-L177 VanDerWaalsContact O-N 3.12Å; Q172-L178 HydrophobicContact CB-CD1 3.59Å; Q172-L178 HydrophobicContact CB-CG 4.23Å
173Q68.9Low68.3Low95 Ų9588.8 Ų88.844%0.44450%0.501SS..Hα-helixtrans-63.6-43.1172.8-172.2-178.71.500111.7L169 K170 W171 Q175 G176L169-Q173 WeakPolarHBondContact O-CB 3.29Å; L169-Q173 PolarHBondContact O-N 2.92Å; K170-Q173 PolarHBondContact O-N 2.81Å; W171-Q173 VanDerWaalsContact C-N 3.33Å; W171-Q173 PolarHBondContact O-N 2.91Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å; Q173-Q175 PolarHBondContact O-N 2.74Å; Q173-G176 PolarHBondContact O-N 3.42Å; Q173-G176 VanDerWaalsContact O-N 3.08Å
174H73.1Confident67.3Low175 Ų17589.2 Ų89.281%0.8150%0.497SS*.Hα-helixtrans-70.4-26.5178.7-159-69.6000113.1K170 W171 G176K170-H174 WeakPolarHBondContact O-CB 3.43Å; K170-H174 PolarHBondContact O-N 3.35Å; W171-H174 PolarHBondContact O-N 3.44Å; H174-G176 PolarHBondContact O-N 3.19Å
175Q72.3Confident66.3Low113 Ų11389 Ų8953%0.52850%0.496SS..THydrogen-bonded Turntrans-76.9-3.8171.3-72.4-94.1-15.400113W171 Q172 Q173 L177W171-Q175 HydrophobicContact CD2-CG 3.99Å; W171-Q175 HydrophobicContact CE3-CG 4.01Å; W171-Q175 HydrophobicContact CH2-CG 3.84Å; W171-Q175 HydrophobicContact CZ2-CG 3.83Å; W171-Q175 HydrophobicContact CZ3-CG 3.93Å; W171-Q175 VanDerWaalsContact O-CG 3.31Å; W171-Q175 WeakPolarHBondContact O-CG 3.4Å; W171-Q175 PolarHBondContact O-N 3.34Å; Q172-Q175 PolarHBondContact O-N 3Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å; Q173-Q175 PolarHBondContact O-N 2.74Å; Q175-L177 VanDerWaalsContact C-N 3.25Å; Q175-L177 HydrophobicContact CB-CD1 4.03Å; Q175-L177 HydrophobicContact CB-CG 4.38Å; Q175-L177 PolarHBondContact O-N 3.23Å
176G62.1Low65.6Low65 Ų6591.5 Ų91.567%0.6751%0.509SS*.THydrogen-bonded Turntrans75.58.7179.700000114.7Q172 Q173 H174 L178Q172-G176 PolarHBondContact O-N 2.98Å; Q173-G176 PolarHBondContact O-N 3.42Å; Q173-G176 VanDerWaalsContact O-N 3.08Å; H174-G176 PolarHBondContact O-N 3.19Å; G176-L178 PolarHBondContact O-N 2.97Å
177L63.1Low64.6Low120 Ų12099.4 Ų99.463%0.62854%0.535SS*.SBendtrans-74.4-16.7177.1-70.6159000112.2Q172 Q175Q172-L177 PolarHBondContact O-N 3.33Å; Q172-L177 VanDerWaalsContact O-N 3.12Å; Q175-L177 VanDerWaalsContact C-N 3.25Å; Q175-L177 HydrophobicContact CB-CD1 4.03Å; Q175-L177 HydrophobicContact CB-CG 4.38Å; Q175-L177 PolarHBondContact O-N 3.23Å
178L57.8Low63.6Low29 Ų29103.3 Ų103.315%0.15255%0.545CS..SBendtrans-132.4122.4-177.1-64.6169000111L169 Q172 G176 I184 A191L169-L178 HydrophobicContact CD2-CD1 4.27Å; Q172-L178 HydrophobicContact CB-CD1 3.59Å; Q172-L178 HydrophobicContact CB-CG 4.23Å; G176-L178 PolarHBondContact O-N 2.97Å; L178-I184 HydrophobicContact CD1-CD1 3.56Å; L178-I184 HydrophobicContact CD2-CD1 3.8Å; L178-I184 HydrophobicContact CD2-CG1 4.41Å; L178-I184 HydrophobicContact CG-CD1 4.25Å; L178-A191 HydrophobicContact CD2-CB 4.38Å
179P55.3Low62.6Low82 Ų82104.5 Ų104.553%0.53257%0.565SS.*  trans-63.7143.5171.1-19.331000111.8G181P179-G181 PolarHBondContact O-N 3.12Å
180P53Low61.6Low112 Ų112110 Ų11073%0.72759%0.587SS**THydrogen-bonded Turntrans-64.9125.1178.424.8-32.1000111.4
181G58.3Low60.1Low82 Ų82103.8 Ų103.885%0.84556%0.564SS**THydrogen-bonded Turntrans1105171.300000117P179P179-G181 PolarHBondContact O-N 3.12Å
182M57.3Low58.5Low67 Ų6798.9 Ų98.933%0.3356%0.556SS.*PPolyproline II helixtrans-87.1135.4175-87.8-167.8-175.500113.6A191 V193M182-A191 HydrophobicContact SD-CB 3.43Å; M182-A191 WeakPolarHBondContact SD-CB 3.42Å; M182-V193 VanDerWaalsContact CE-CA 3.49Å; M182-V193 HydrophobicContact CE-CB 4.07Å; M182-V193 HydrophobicContact CE-CG1 4.07Å; M182-V193 HydrophobicContact CE-CG2 4.04Å; M182-V193 HydrophobicContact SD-CG2 4.4Å
183T55.1Low57.2Low120 Ų12099.1 Ų99.174%0.73656%0.563SS**PPolyproline II helixtrans-77117.3162.251.20000108.7
184I58.6Low56Low56 Ų56102.4 Ų102.429%0.28758%0.575SS.*BIsolated β-bridgetrans-92.2123.6-178.5-69.1154.3000109.2L169 L178 L186 A191L169-I184 HydrophobicContact CD2-CB 4.49Å; L169-I184 HydrophobicContact CD2-CD1 3.41Å; L169-I184 VanDerWaalsContact CD2-CD1 3.41Å; L178-I184 HydrophobicContact CD1-CD1 3.56Å; L178-I184 HydrophobicContact CD2-CD1 3.8Å; L178-I184 HydrophobicContact CD2-CG1 4.41Å; L178-I184 HydrophobicContact CG-CD1 4.25Å; I184-L186 PolarHBondContact O-N 3.35Å; I184-A191 HydrophobicContact CG1-CB 4.42Å
185D60.9Low54.6Low65 Ų6599.7 Ų99.735%0.34857%0.567SS.*  trans-8299.9167.5-173.6-4.3000108.3F187 R188D185-F187 PolarHBondContact O-N 3.05Å; D185-F187 VanDerWaalsContact O-N 3.12Å; D185-F187 PolarHBondContact OD1-N 2.51Å; D185-R188 HydrophobicContact CB-CB 4.49Å; D185-R188 PolarHBondContact O-N 2.76Å; D185-R188 VanDerWaalsContact O-N 3.13Å
186L60.1Low53.5Low107 Ų10799.5 Ų99.556%0.5657%0.573SS**THydrogen-bonded Turntrans-57.1-25.5-177.1-76.5160.8000112.7L165 I184L165-L186 HydrophobicContact CD2-CD2 4.42Å; I184-L186 PolarHBondContact O-N 3.35Å
187F54.7Low53.1Low197 Ų197100.5 Ų100.586%0.86456%0.56SS**THydrogen-bonded Turntrans-80.2-23.1-179.1-75.6-81.5000113.9D185D185-F187 PolarHBondContact O-N 3.05Å; D185-F187 VanDerWaalsContact O-N 3.12Å; D185-F187 PolarHBondContact OD1-N 2.51Å
188R58.4Low52.9Low202 Ų202101 Ų10176%0.76256%0.559SS**THydrogen-bonded Turntrans-97.4-11.6-177-75.1-173.4174.1-151.9-0.9113.8D185 K190D185-R188 HydrophobicContact CB-CB 4.49Å; D185-R188 PolarHBondContact O-N 2.76Å; D185-R188 VanDerWaalsContact O-N 3.13Å; R188-K190 PolarHBondContact O-N 2.8Å
189G51.3Low53.1Low75 Ų75100.3 Ų100.377%0.77356%0.555SS**SBendtrans59.57.4-179.600000114.5
190K49.4Very low53.7Low165 Ų165103.5 Ų103.572%0.71756%0.557SS**SBendtrans-115.9130172.2-72.5-176.6176.7-177.70105.4R188 A192R188-K190 PolarHBondContact O-N 2.8Å; K190-A192 PolarHBondContact O-N 2.77Å
191A44.4Very low54.3Low23 Ų23100.6 Ų100.619%0.1953%0.533CS..BIsolated β-bridgetrans-47.1132.1160.500000106.2L178 M182 I184 V193L178-A191 HydrophobicContact CD2-CB 4.38Å; M182-A191 HydrophobicContact SD-CB 3.43Å; M182-A191 WeakPolarHBondContact SD-CB 3.42Å; I184-A191 HydrophobicContact CG1-CB 4.42Å; A191-V193 PolarHBondContact O-N 2.83Å
192A43.7Very low55Low49 Ų4996.8 Ų96.841%0.40549%0.493SS..  trans-6683.9170.300000105.3K190 K194K190-A192 PolarHBondContact O-N 2.77Å; A192-K194 PolarHBondContact O-N 3.32Å
193V43.2Very low55.7Low83 Ų8395.9 Ų95.950%0.50349%0.491SS..  trans-59.795.6160.7-167.80000102M182 A191 D195M182-V193 VanDerWaalsContact CE-CA 3.49Å; M182-V193 HydrophobicContact CE-CB 4.07Å; M182-V193 HydrophobicContact CE-CG1 4.07Å; M182-V193 HydrophobicContact CE-CG2 4.04Å; M182-V193 HydrophobicContact SD-CG2 4.4Å; A191-V193 PolarHBondContact O-N 2.83Å; V193-D195 WeakPolarHBondContact CG1-OD1 3.02Å; V193-D195 PolarHBondContact O-N 3.43Å
194K44.6Very low56.6Low164 Ų16496.7 Ų96.771%0.71349%0.487SS*.  trans-51.693.9140.4-109.4-176.9173.4178.90102A192 V196A192-K194 PolarHBondContact O-N 3.32Å; K194-V196 VanDerWaalsContact C-N 3.26Å; K194-V196 PolarHBondContact O-N 3.27Å
195D42.7Very low57.5Low118 Ų11897.9 Ų97.963%0.63149%0.493SS*.  trans-49.8108.7169.4-79.6-39.5000103.3V193 E197V193-D195 WeakPolarHBondContact CG1-OD1 3.02Å; V193-D195 PolarHBondContact O-N 3.43Å; D195-E197 HydrophobicContact CB-CG 4.11Å; D195-E197 PolarHBondContact O-N 2.97Å
196V49.2Very low58.3Low109 Ų10996.7 Ų96.766%0.66149%0.49SS*.  trans-69.373.1164.1177.50000102K194 E198K194-V196 VanDerWaalsContact C-N 3.26Å; K194-V196 PolarHBondContact O-N 3.27Å; V196-E198 PolarHBondContact O-N 3.5Å
197E54.6Low59.2Low85 Ų8598.6 Ų98.640%0.39749%0.49SS..  trans-54.9117.2171-77-171.5154.900104.4D195 E199 R453 N497D195-E197 HydrophobicContact CB-CG 4.11Å; D195-E197 PolarHBondContact O-N 2.97Å; E197-E199 PolarHBondContact O-N 3.45Å; E197-R453 PolarHBondContact O-NH2 3.09Å; E197-N497 PolarHBondContact OE2-N 2.82Å
198E58.7Low60.6Low130 Ų13094.6 Ų94.661%0.60747%0.473SS*.  trans-56.3136.3166.3-69.4-179.2149.100107.6V196 R200 N497V196-E198 PolarHBondContact O-N 3.5Å; E198-R200 PolarHBondContact O-N 2.88Å; E198-R200 IonicContact OE2-NH2 3.5Å; E198-R200 PolarHBondContact OE2-NH2 3.33Å; E198-N497 PolarHBondContact O-ND2 3.1Å
199E62.5Low61.8Low15 Ų1585.2 Ų85.27%0.0744%0.438CS..  trans-66.4113.3-178-64.5-165.615300110E197 S451 P452 R453 E455 W456 N497E197-E199 PolarHBondContact O-N 3.45Å; E199-S451 VanDerWaalsContact CD-OG 3.3Å; E199-S451 PolarHBondContact OE1-OG 2.92Å; E199-S451 WeakPolarHBondContact OE2-CB 3.33Å; E199-S451 PolarHBondContact OE2-OG 3.3Å; E199-P452 VanDerWaalsContact OE1-CD 3.24Å; E199-P452 WeakPolarHBondContact OE1-CD 2.88Å; E199-R453 VanDerWaalsContact CD-CB 3.5Å; E199-R453 HydrophobicContact CG-CB 4.46Å; E199-R453 HydrophobicContact CG-CG 4.32Å; E199-R453 WeakPolarHBondContact OE1-CA 3.43Å; E199-R453 WeakPolarHBondContact OE1-CB 3.19Å; E199-R453 VanDerWaalsContact OE1-CG 3.23Å; E199-R453 WeakPolarHBondContact OE1-CG 3.35Å; E199-R453 PolarHBondContact OE1-N 2.94Å; E199-E455 WeakPolarHBondContact OE2-CB 3.42Å; E199-E455 PolarHBondContact OE2-N 2.8Å; E199-W456 PolarHBondContact O-NE1 3.33Å; E199-N497 WeakPolarHBondContact CA-OD1 3.27Å
200R66.3Low63.3Low149 Ų14988.7 Ų88.756%0.56243%0.432SS*.  trans-116.3141.9177.3-68.5179.4-173.4-179.72.8109.5E198 N497 P513E198-R200 PolarHBondContact O-N 2.88Å; E198-R200 IonicContact OE2-NH2 3.5Å; E198-R200 PolarHBondContact OE2-NH2 3.33Å; R200-N497 PolarHBondContact N-ND2 3.2Å; R200-P513 HydrophobicContact CB-CB 3.49Å; R200-P513 VanDerWaalsContact CB-CB 3.49Å; R200-P513 HydrophobicContact CB-CG 4.2Å
201F66.8Low64.8Low52 Ų5281.8 Ų81.823%0.22840%0.402CS..  trans-66.3148.8173.853.1-94.4000110.3T203 W456 Y458 C468 R478 P513F201-T203 HydrophobicContact CD2-CG2 3.84Å; F201-T203 HydrophobicContact CE2-CG2 3.62Å; F201-W456 HydrophobicContact CB-CE3 4.48Å; F201-W456 HydrophobicContact CB-CZ3 4.48Å; F201-W456 AromaticContact CD1-CH2 3.55Å; F201-W456 HydrophobicContact CD1-CH2 3.55Å; F201-W456 AromaticContact CD1-CZ2 3.79Å; F201-W456 HydrophobicContact CD1-CZ2 3.79Å; F201-W456 HydrophobicContact CD1-CZ3 4.07Å; F201-W456 HydrophobicContact CE1-CH2 4.18Å; F201-W456 HydrophobicContact CE1-CZ2 4.49Å; F201-Y458 HydrophobicContact CB-CE1 4.46Å; F201-C468 HydrophobicContact CB-CB 4.21Å; F201-R478 HydrophobicContact CD2-CB 4.22Å; F201-R478 HydrophobicContact CD2-CG 4.39Å; F201-P513 WeakPolarHBondContact O-CA 3.4Å; F201-P513 VanDerWaalsContact O-CB 3.31Å; F201-P513 WeakPolarHBondContact O-CB 3.29Å
202P73.6Confident66Low2 Ų283 Ų831%0.01342%0.418CS..  trans-60.1144.7177.728.7-38.3000111Y458 L466 L480 I499 W511P202-Y458 HydrophobicContact CG-CE1 4.47Å; P202-L466 HydrophobicContact CG-CD2 3.8Å; P202-L480 HydrophobicContact CB-CD1 4.16Å; P202-L480 HydrophobicContact CG-CD1 3.94Å; P202-L480 WeakPolarHBondContact O-CD1 3.23Å; P202-I499 HydrophobicContact CB-CD1 4.48Å; P202-I499 HydrophobicContact CG-CD1 3.87Å; P202-W511 HydrophobicContact CB-CB 3.75Å
203T71.1Confident66.9Low47 Ų4790.1 Ų90.129%0.28844%0.442SS..  trans-132-28.1170.873.40000113.5F201 R512 P513F201-T203 HydrophobicContact CD2-CG2 3.84Å; F201-T203 HydrophobicContact CE2-CG2 3.62Å; T203-R512 PolarHBondContact N-O 3.21Å; T203-P513 WeakPolarHBondContact CB-OXT 3.48Å; T203-P513 WeakPolarHBondContact CG2-OXT 3.16Å; T203-P513 PolarHBondContact OG1-OXT 3.39Å
204Q73.9Confident68.2Low138 Ų13895.5 Ų95.565%0.64546%0.459SS*.EExtended strand (participates in β ladder)trans-123.6139.7-174.8-65.8-179.411.100111.9S206 W511 R512Q204-S206 PolarHBondContact O-N 2.92Å; Q204-W511 WeakPolarHBondContact O-CA 3.36Å; Q204-R512 PolarHBondContact N-O 3.4Å; Q204-R512 PolarHBondContact O-N 3.39Å
205L78Confident69.8Low81 Ų8188.5 Ų88.542%0.42443%0.431SS..EExtended strand (participates in β ladder)trans-71115.8167.7-178.771000108.3K509 W511L205-K509 HydrophobicContact CD1-CB 3.64Å; L205-K509 HydrophobicContact CD1-CD 4.08Å; L205-K509 HydrophobicContact CD1-CG 3.91Å; L205-W511 HydrophobicContact CB-CE3 4.06Å; L205-W511 HydrophobicContact CB-CH2 4.24Å; L205-W511 HydrophobicContact CB-CZ3 3.81Å; L205-W511 HydrophobicContact CD1-CD2 4.1Å; L205-W511 HydrophobicContact CD1-CE3 4.25Å; L205-W511 HydrophobicContact CD1-CH2 4.07Å; L205-W511 HydrophobicContact CD1-CZ2 3.87Å; L205-W511 HydrophobicContact CD1-CZ3 4.25Å
206S77Confident71.7Confident39 Ų3984.8 Ų84.827%0.27341%0.409SS..EExtended strand (participates in β ladder)trans-84.1-48.1179.569.60000111.8Q204 L510Q204-S206 PolarHBondContact O-N 2.92Å; S206-L510 WeakPolarHBondContact CB-O 3.32Å; S206-L510 PolarHBondContact N-O 2.92Å; S206-L510 WeakPolarHBondContact OG-CB 3.17Å; S206-L510 PolarHBondContact OG-O 3.4Å
207R79.7Confident73.6Confident148 Ų14879.7 Ų79.756%0.55838%0.379SS*.EExtended strand (participates in β ladder)trans-154.6159.5-175.8-68.7-61.5179.7-166.9-2.4110.4L510R207-L510 HydrophobicContact CB-CB 4.42Å; R207-L510 HydrophobicContact CB-CD1 4.41Å; R207-L510 PolarHBondContact N-O 3.24Å; R207-L510 PolarHBondContact O-N 3.45Å
208H83.8Confident75.2Confident112 Ų11277.9 Ų77.952%0.51937%0.37SS..EExtended strand (participates in β ladder)trans-130.1141.6165.566.277.8000109.6L508 K509H208-L508 CarbonylContact C-O 3.52Å; H208-L508 VanDerWaalsContact CA-O 3.31Å; H208-L508 WeakPolarHBondContact CA-O 3.17Å; H208-K509 HydrophobicContact CB-CG 4.09Å
209I84.3Confident76.6Confident5 Ų572.1 Ų72.13%0.02634%0.344CS..EExtended strand (participates in β ladder)trans-105.2126.9171.7-62.3171.1000106.2F211 L229 W241 L507 L508I209-F211 HydrophobicContact CB-CE2 4.29Å; I209-F211 HydrophobicContact CG2-CD2 4.34Å; I209-F211 HydrophobicContact CG2-CE2 3.64Å; I209-F211 HydrophobicContact CG2-CZ 3.88Å; I209-L229 HydrophobicContact CD1-CD2 4.4Å; I209-W241 HydrophobicContact CD1-CB 4.29Å; I209-W241 HydrophobicContact CD1-CD2 3.93Å; I209-W241 HydrophobicContact CD1-CE3 3.78Å; I209-W241 HydrophobicContact CD1-CG 4.15Å; I209-W241 HydrophobicContact CD1-CZ3 4.41Å; I209-W241 HydrophobicContact CG1-CE3 4.32Å; I209-W241 HydrophobicContact CG2-CD2 4.25Å; I209-W241 HydrophobicContact CG2-CE3 3.86Å; I209-W241 HydrophobicContact CG2-CH2 3.4Å; I209-W241 VanDerWaalsContact CG2-CH2 3.4Å; I209-W241 HydrophobicContact CG2-CZ2 3.81Å; I209-W241 HydrophobicContact CG2-CZ3 3.41Å; I209-W241 VanDerWaalsContact CG2-CZ3 3.41Å; I209-L507 WeakPolarHBondContact O-CA 3.41Å; I209-L508 HydrophobicContact CB-CB 4.31Å; I209-L508 HydrophobicContact CD1-CD2 4.33Å; I209-L508 PolarHBondContact N-O 3.46Å; I209-L508 PolarHBondContact O-N 2.9Å
210K82.5Confident78Confident149 Ų14971.9 Ų71.965%0.64834%0.344SS*.EExtended strand (participates in β ladder)trans-107.7126.2-178-177.1172.1-175.1177.70109.8L507K210-L507 HydrophobicContact CB-CD2 3.85Å; K210-L507 HydrophobicContact CD-CD2 4.27Å; K210-L507 HydrophobicContact CG-CD2 3.76Å
211F79.6Confident79.2Confident19 Ų1969.3 Ų69.38%0.08333%0.334CS..  trans-95166.1174.1-63.3-97000110.1I209 S215 V217 T231 E239 W241 G506 L508I209-F211 HydrophobicContact CB-CE2 4.29Å; I209-F211 HydrophobicContact CG2-CD2 4.34Å; I209-F211 HydrophobicContact CG2-CE2 3.64Å; I209-F211 HydrophobicContact CG2-CZ 3.88Å; F211-S215 VanDerWaalsContact CB-O 3.22Å; F211-S215 WeakPolarHBondContact CB-O 3.46Å; F211-V217 HydrophobicContact CD1-CG2 4.07Å; F211-V217 HydrophobicContact CD2-CG2 3.71Å; F211-V217 HydrophobicContact CE1-CG2 3.64Å; F211-V217 HydrophobicContact CE2-CG2 3.3Å; F211-V217 HydrophobicContact CG-CG2 4.11Å; F211-V217 HydrophobicContact CZ-CG2 3.26Å; F211-T231 HydrophobicContact CZ-CG2 4.31Å; F211-E239 VanDerWaalsContact CE1-OE2 3.24Å; F211-E239 WeakPolarHBondContact CE1-OE2 3.47Å; F211-W241 HydrophobicContact CE1-CH2 4.45Å; F211-W241 AromaticContact CE1-CZ2 3.61Å; F211-W241 HydrophobicContact CE1-CZ2 3.61Å; F211-W241 HydrophobicContact CZ-CH2 4.46Å; F211-W241 AromaticContact CZ-CZ2 3.67Å; F211-W241 HydrophobicContact CZ-CZ2 3.67Å; F211-G506 WeakPolarHBondContact CB-O 3.32Å; F211-G506 WeakPolarHBondContact CD2-O 3.5Å; F211-G506 PolarHBondContact N-O 2.94Å; F211-L508 HydrophobicContact CE2-CB 3.93Å
212G70.4Confident80.3Confident50 Ų5067.3 Ų67.352%0.51533%0.325SS..  trans-61.6156.2178.500000112K214 S215G212-K214 PolarHBondContact O-N 2.47Å; G212-S215 PolarHBondContact O-N 2.89Å; G212-S215 VanDerWaalsContact O-O 3.05Å
213Q63.3Low81Confident197 Ų19767.2 Ų67.292%0.92133%0.325SS*.THydrogen-bonded Turntrans-61.4-13.9-172.3-70.4-153.6-8.300115.9
214K68.9Low81.7Confident196 Ų19667 Ų6785%0.85233%0.325SS*.THydrogen-bonded Turntrans-110.2-3.1176.4-68.9-172.7176.5-175.60114G212G212-K214 PolarHBondContact O-N 2.47Å
215S78.9Confident82Confident17 Ų1762.5 Ų62.512%0.11931%0.305CS..  trans-114.7120.8-178.4176.80000109.1F211 G212 D235F211-S215 VanDerWaalsContact CB-O 3.22Å; F211-S215 WeakPolarHBondContact CB-O 3.46Å; G212-S215 PolarHBondContact O-N 2.89Å; G212-S215 VanDerWaalsContact O-O 3.05Å; S215-D235 VanDerWaalsContact CB-OD2 3.25Å; S215-D235 WeakPolarHBondContact CB-OD2 3.45Å; S215-D235 PolarHBondContact OG-OD2 2.97Å
216H83.7Confident82.1Confident41 Ų4159.1 Ų59.119%0.1929%0.29CS..  trans-117.5166.9166.463-95.8000111.2E218 S233 V234 I488H216-E218 IonicContact CD2-OE1 3.82Å; H216-E218 PolarHBondContact CD2-OE1 3.46Å; H216-E218 IonicContact CE1-OE1 3.47Å; H216-E218 IonicContact NE2-OE1 2.78Å; H216-E218 PolarHBondContact NE2-OE1 3.08Å; H216-S233 WeakPolarHBondContact O-CA 3.3Å; H216-V234 VanDerWaalsContact CD2-CG2 3.42Å; H216-V234 WeakPolarHBondContact CD2-CG2 3.44Å; H216-V234 WeakPolarHBondContact CE1-CG2 3.32Å; H216-V234 WeakPolarHBondContact NE2-CG2 3.34Å; H216-V234 PolarHBondContact O-N 2.92Å; H216-V234 VanDerWaalsContact O-N 3.12Å; H216-I488 VanDerWaalsContact CD2-CD1 3.49Å; H216-I488 WeakPolarHBondContact CD2-CD1 3.32Å
217V88.8Confident82.3Confident2 Ų261.6 Ų61.61%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-95121.3-177.4177.40000108.3F211 C219 T231 I488 Y502F211-V217 HydrophobicContact CD1-CG2 4.07Å; F211-V217 HydrophobicContact CD2-CG2 3.71Å; F211-V217 HydrophobicContact CE1-CG2 3.64Å; F211-V217 HydrophobicContact CE2-CG2 3.3Å; F211-V217 HydrophobicContact CG-CG2 4.11Å; F211-V217 HydrophobicContact CZ-CG2 3.26Å; V217-C219 VanDerWaalsContact CG1-O 3.23Å; V217-C219 WeakPolarHBondContact CG1-O 3.44Å; V217-T231 HydrophobicContact CG1-CG2 4.22Å; V217-I488 WeakPolarHBondContact O-CD1 3.44Å; V217-Y502 HydrophobicContact CB-CD2 4.41Å; V217-Y502 HydrophobicContact CG1-CD2 4.05Å; V217-Y502 HydrophobicContact CG1-CG 4.18Å; V217-Y502 WeakPolarHBondContact O-CD2 3.43Å
218E88.4Confident82.6Confident47 Ų4756.2 Ų56.222%0.2228%0.277CS..EExtended strand (participates in β ladder)trans-86.7-31.3177.3-75.8-64.9159.100111.7H216 G232 V234 V267 I488 Y502H216-E218 IonicContact CD2-OE1 3.82Å; H216-E218 PolarHBondContact CD2-OE1 3.46Å; H216-E218 IonicContact CE1-OE1 3.47Å; H216-E218 IonicContact NE2-OE1 2.78Å; H216-E218 PolarHBondContact NE2-OE1 3.08Å; E218-G232 PolarHBondContact N-O 3.16Å; E218-V234 HydrophobicContact CG-CG2 3.57Å; E218-V234 WeakPolarHBondContact OE1-CG2 2.98Å; E218-V267 WeakPolarHBondContact CB-O 3.4Å; E218-I488 VanDerWaalsContact O-CG2 3.31Å; E218-I488 WeakPolarHBondContact O-CG2 3.44Å; E218-Y502 WeakPolarHBondContact O-CE2 3.44Å
219C87.9Confident82.8Confident9 Ų950.9 Ų50.96%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-147.3143.817855.80000111.6V217 T231 G232 V267 M270V217-C219 VanDerWaalsContact CG1-O 3.23Å; V217-C219 WeakPolarHBondContact CG1-O 3.44Å; C219-T231 WeakPolarHBondContact O-CA 3.32Å; C219-G232 PolarHBondContact N-O 3.43Å; C219-G232 PolarHBondContact O-N 3.36Å; C219-V267 PolarHBondContact SG-O 2.62Å; C219-M270 HydrophobicContact CB-CE 4.33Å; C219-M270 VanDerWaalsContact O-CE 3.27Å; C219-M270 WeakPolarHBondContact O-CE 3.2Å; C219-M270 VanDerWaalsContact SG-CG 3.58Å
220S90.8Very high83.2Confident9 Ų950.6 Ų50.66%0.06325%0.251CS..EExtended strand (participates in β ladder)trans-136.6147.5168.977.80000111.5V230 Y502S220-V230 CarbonylContact C-O 3.54Å; S220-V230 VanDerWaalsContact CA-O 3.28Å; S220-V230 WeakPolarHBondContact CA-O 3.46Å; S220-Y502 PolarHBondContact N-OH 2.97Å; S220-Y502 WeakPolarHBondContact OG-CD1 3.31Å; S220-Y502 WeakPolarHBondContact OG-CE1 3.34Å
221R91.4Very high83.6Confident96 Ų9643.5 Ų43.536%0.36222%0.22SC..EExtended strand (participates in β ladder)trans-148.3140.2178.4-152.5161.5-170.4155.67.3111V230 M270 F272R221-V230 PolarHBondContact N-O 3.14Å; R221-V230 PolarHBondContact O-N 3.18Å; R221-M270 VanDerWaalsContact CD-O 3.24Å; R221-M270 WeakPolarHBondContact CD-O 3.38Å; R221-M270 PolarHBondContact NH1-O 3.17Å; R221-F272 HydrophobicContact CB-CD2 4.29Å; R221-F272 HydrophobicContact CB-CE2 4.26Å; R221-F272 HydrophobicContact CG-CD2 4.33Å
222F90.8Very high84.1Confident9 Ų942.6 Ų42.64%0.03922%0.216CC..EExtended strand (participates in β ladder)trans-81.2146.3169.5-70.3-78.7000110.4Y228 L229 F243 F272 A491 H492 H493 L498 A500 L510F222-Y228 WeakPolarHBondContact CA-O 3.38Å; F222-L229 HydrophobicContact CD1-CB 4.06Å; F222-L229 HydrophobicContact CD1-CD1 3.9Å; F222-L229 HydrophobicContact CD2-CD1 4.32Å; F222-L229 HydrophobicContact CE1-CB 3.99Å; F222-L229 HydrophobicContact CE1-CD1 3.78Å; F222-L229 HydrophobicContact CE1-CD2 4.41Å; F222-L229 HydrophobicContact CE1-CG 4.28Å; F222-L229 HydrophobicContact CE2-CD1 4.21Å; F222-L229 HydrophobicContact CG-CD1 4.2Å; F222-L229 HydrophobicContact CZ-CD1 3.95Å; F222-F243 HydrophobicContact CD1-CD1 4.42Å; F222-F243 HydrophobicContact CE1-CB 3.98Å; F222-F243 HydrophobicContact CE1-CD1 4.24Å; F222-F243 HydrophobicContact CE1-CG 4.11Å; F222-F272 WeakPolarHBondContact O-CD2 3.21Å; F222-A491 HydrophobicContact CD2-CB 3.92Å; F222-A491 HydrophobicContact CE2-CB 4.07Å; F222-A491 WeakPolarHBondContact CE2-O 3.47Å; F222-H492 VanDerWaalsContact CD2-O 3.32Å; F222-H492 WeakPolarHBondContact CD2-O 3.35Å; F222-H493 HydrophobicContact CD1-CB 4.37Å; F222-H493 AromaticContact CD1-CD2 3.56Å; F222-H493 HydrophobicContact CD2-CB 4.28Å; F222-H493 HydrophobicContact CE1-CB 4.39Å; F222-H493 AromaticContact CE1-CD2 3.9Å; F222-H493 HydrophobicContact CE2-CB 4.31Å; F222-H493 HydrophobicContact CG-CB 4.29Å; F222-H493 HydrophobicContact CZ-CB 4.35Å; F222-L498 HydrophobicContact CE1-CD2 3.98Å; F222-L498 HydrophobicContact CZ-CD2 3.96Å; F222-L498 HydrophobicContact CZ-CG 4.2Å; F222-A500 HydrophobicContact CE2-CB 3.7Å; F222-A500 HydrophobicContact CZ-CB 3.79Å; F222-L510 HydrophobicContact CZ-CD2 4.15Å
223S88.8Confident85Confident0 Ų040.4 Ų40.40%019%0.192CC..  trans-69.8144.4171.160.30000110.6D225 G226 Q227 Y228 P494S223-D225 WeakPolarHBondContact CB-OD1 3.27Å; S223-D225 PolarHBondContact O-N 3.42Å; S223-D225 VanDerWaalsContact O-N 3.15Å; S223-D225 PolarHBondContact OG-OD1 3.41Å; S223-G226 WeakPolarHBondContact O-CA 3.04Å; S223-G226 PolarHBondContact O-N 3.21Å; S223-Q227 PolarHBondContact OG-N 3.29Å; S223-Q227 VanDerWaalsContact OG-N 3.16Å; S223-Y228 PolarHBondContact N-O 2.95Å; S223-Y228 PolarHBondContact OG-N 2.92Å; S223-Y228 PolarHBondContact OG-O 2.86Å; S223-P494 WeakPolarHBondContact O-CG 3.41Å
224P84.3Confident86.3Confident44 Ų4433.1 Ų33.129%0.28616%0.161SC..THydrogen-bonded Turntrans-57.1-25.7179.4-29.733.2000115.8G226 F272 S273 T276 H495P224-G226 VanDerWaalsContact C-N 3.3Å; P224-F272 VanDerWaalsContact CD-CB 3.42Å; P224-F272 HydrophobicContact CG-CB 3.92Å; P224-S273 WeakPolarHBondContact CG-O 3.49Å; P224-T276 HydrophobicContact CB-CG2 3.69Å; P224-T276 HydrophobicContact CG-CG2 3.91Å; P224-H495 PolarHBondContact O-NE2 2.93Å; P224-H495 VanDerWaalsContact O-NE2 3.11Å
225D80.7Confident87.1Confident42 Ų4228 Ų2823%0.22514%0.143CC..THydrogen-bonded Turntrans-82.4-7.7175.467.1-12.1000113S223 Q227 T276 H495S223-D225 WeakPolarHBondContact CB-OD1 3.27Å; S223-D225 PolarHBondContact O-N 3.42Å; S223-D225 VanDerWaalsContact O-N 3.15Å; S223-D225 PolarHBondContact OG-OD1 3.41Å; D225-Q227 VanDerWaalsContact C-N 3.32Å; D225-Q227 HydrophobicContact CB-CG 4.31Å; D225-Q227 PolarHBondContact O-N 3.46Å; D225-Q227 PolarHBondContact OD1-N 3.17Å; D225-Q227 VanDerWaalsContact OD1-N 3.08Å; D225-Q227 WeakPolarHBondContact OD2-CB 3.48Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.37Å; D225-Q227 PolarHBondContact OD2-NE2 3.14Å; D225-Q227 PolarHBondContact OD2-OE1 3.38Å; D225-T276 HydrophobicContact CB-CG2 3.69Å; D225-H495 PolarHBondContact O-CD2 2.83Å
226G80.5Confident87.4Confident11 Ų1127.2 Ų27.211%0.11314%0.138CC..SBendtrans67.128-178.300000114.3S223 P224 F243 H493S223-G226 WeakPolarHBondContact O-CA 3.04Å; S223-G226 PolarHBondContact O-N 3.21Å; P224-G226 VanDerWaalsContact C-N 3.3Å; G226-F243 WeakPolarHBondContact O-CE1 3.46Å; G226-F243 WeakPolarHBondContact O-CZ 3.44Å; G226-H493 WeakPolarHBondContact CA-NE2 3.35Å; G226-H493 PolarHBondContact O-NE2 2.73Å; G226-H493 VanDerWaalsContact O-NE2 3.12Å
227Q81.6Confident87.7Confident90 Ų9029 Ų2942%0.42115%0.145SC..SBendtrans-99-28.4178.8-66.3-173.918.100113.7S223 D225 R249S223-Q227 PolarHBondContact OG-N 3.29Å; S223-Q227 VanDerWaalsContact OG-N 3.16Å; D225-Q227 VanDerWaalsContact C-N 3.32Å; D225-Q227 HydrophobicContact CB-CG 4.31Å; D225-Q227 PolarHBondContact O-N 3.46Å; D225-Q227 PolarHBondContact OD1-N 3.17Å; D225-Q227 VanDerWaalsContact OD1-N 3.08Å; D225-Q227 WeakPolarHBondContact OD2-CB 3.48Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.37Å; D225-Q227 PolarHBondContact OD2-NE2 3.14Å; D225-Q227 PolarHBondContact OD2-OE1 3.38Å; Q227-R249 PolarHBondContact O-NH2 2.98Å
228Y85.2Confident87.8Confident35 Ų3528.9 Ų28.914%0.13714%0.144CC..  trans-128.3142.2-169.7-49-74.6000110.7F222 S223 V240 R249F222-Y228 WeakPolarHBondContact CA-O 3.38Å; S223-Y228 PolarHBondContact N-O 2.95Å; S223-Y228 PolarHBondContact OG-N 2.92Å; S223-Y228 PolarHBondContact OG-O 2.86Å; Y228-V240 HydrophobicContact CD1-CG1 3.79Å; Y228-V240 HydrophobicContact CG-CG1 4.15Å; Y228-R249 VanDerWaalsContact CE1-CZ 3.41Å
229L89.3Confident87.8Confident0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-109.8122.7161.8171.665.8000107.1I209 F222 W241 F243 A500 L508 L510I209-L229 HydrophobicContact CD1-CD2 4.4Å; F222-L229 HydrophobicContact CD1-CB 4.06Å; F222-L229 HydrophobicContact CD1-CD1 3.9Å; F222-L229 HydrophobicContact CD2-CD1 4.32Å; F222-L229 HydrophobicContact CE1-CB 3.99Å; F222-L229 HydrophobicContact CE1-CD1 3.78Å; F222-L229 HydrophobicContact CE1-CD2 4.41Å; F222-L229 HydrophobicContact CE1-CG 4.28Å; F222-L229 HydrophobicContact CE2-CD1 4.21Å; F222-L229 HydrophobicContact CG-CD1 4.2Å; F222-L229 HydrophobicContact CZ-CD1 3.95Å; L229-W241 HydrophobicContact CB-CB 4.23Å; L229-W241 PolarHBondContact N-O 3.02Å; L229-W241 WeakPolarHBondContact O-CB 3.21Å; L229-W241 PolarHBondContact O-N 3.27Å; L229-F243 HydrophobicContact CB-CB 4.17Å; L229-F243 HydrophobicContact CD2-CB 4.43Å; L229-A500 HydrophobicContact CD1-CB 4.47Å; L229-L508 HydrophobicContact CD2-CD1 4.24Å; L229-L508 HydrophobicContact CD2-CD2 3.99Å; L229-L510 HydrophobicContact CD2-CD2 4.08Å
230V90.9Very high87.9Confident0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-111.2136.4178.5176.50000109.5S220 R221 I238 E239 V240 M270 F272 L279S220-V230 CarbonylContact C-O 3.54Å; S220-V230 VanDerWaalsContact CA-O 3.28Å; S220-V230 WeakPolarHBondContact CA-O 3.46Å; R221-V230 PolarHBondContact N-O 3.14Å; R221-V230 PolarHBondContact O-N 3.18Å; V230-I238 HydrophobicContact CG1-CG2 3.52Å; V230-E239 VanDerWaalsContact CA-O 3.29Å; V230-E239 WeakPolarHBondContact CA-O 3.5Å; V230-V240 HydrophobicContact CG2-CB 4.24Å; V230-V240 HydrophobicContact CG2-CG1 3.97Å; V230-V240 HydrophobicContact CG2-CG2 3.81Å; V230-M270 HydrophobicContact CG1-CE 4.06Å; V230-M270 HydrophobicContact CG1-SD 3.87Å; V230-M270 WeakPolarHBondContact O-CE 3.3Å; V230-F272 HydrophobicContact CB-CE2 4.04Å; V230-F272 HydrophobicContact CB-CZ 3.89Å; V230-F272 HydrophobicContact CG2-CE1 4.33Å; V230-F272 HydrophobicContact CG2-CE2 4.07Å; V230-F272 HydrophobicContact CG2-CZ 3.4Å; V230-L279 HydrophobicContact CG1-CD1 4.44Å; V230-L279 HydrophobicContact CG1-CD2 3.82Å
231T90.9Very high87.7Confident0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-123.2136.5179.958.60000109.8F211 V217 C219 I238 E239 W241 L508F211-T231 HydrophobicContact CZ-CG2 4.31Å; V217-T231 HydrophobicContact CG1-CG2 4.22Å; C219-T231 WeakPolarHBondContact O-CA 3.32Å; T231-I238 WeakPolarHBondContact O-CA 3.32Å; T231-E239 PolarHBondContact N-O 3.43Å; T231-E239 PolarHBondContact O-N 2.81Å; T231-W241 PolarHBondContact OG1-NE1 3.41Å; T231-L508 HydrophobicContact CG2-CD1 3.45Å; T231-L508 VanDerWaalsContact CG2-CD1 3.45Å
232G90.9Very high87.3Confident0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-105.9125.8169.200000109E218 C219 M270E218-G232 PolarHBondContact N-O 3.16Å; C219-G232 PolarHBondContact N-O 3.43Å; C219-G232 PolarHBondContact O-N 3.36Å; G232-M270 VanDerWaalsContact N-CE 3.29Å
233S89.9Confident86.8Confident3 Ų325.7 Ų25.72%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-94.9164.6178.269.10000112.4H216 D235 G236 F237 V267H216-S233 WeakPolarHBondContact O-CA 3.3Å; S233-D235 PolarHBondContact O-N 3.44Å; S233-D235 PolarHBondContact OG-N 3.28Å; S233-G236 PolarHBondContact O-N 3.12Å; S233-F237 PolarHBondContact N-O 3.45Å; S233-F237 PolarHBondContact OG-N 2.92Å; S233-F237 PolarHBondContact OG-O 3.31Å; S233-V267 PolarHBondContact O-N 3.47Å
234V89.1Confident86.3Confident44 Ų4429.2 Ų29.227%0.26715%0.154SC..THydrogen-bonded Turntrans-60.5-32.2169.5-178.10000111.9H216 E218 G236 A266H216-V234 VanDerWaalsContact CD2-CG2 3.42Å; H216-V234 WeakPolarHBondContact CD2-CG2 3.44Å; H216-V234 WeakPolarHBondContact CE1-CG2 3.32Å; H216-V234 WeakPolarHBondContact NE2-CG2 3.34Å; H216-V234 PolarHBondContact O-N 2.92Å; H216-V234 VanDerWaalsContact O-N 3.12Å; E218-V234 HydrophobicContact CG-CG2 3.57Å; E218-V234 WeakPolarHBondContact OE1-CG2 2.98Å; V234-G236 PolarHBondContact O-N 3.48Å; V234-G236 VanDerWaalsContact O-N 3.08Å; V234-A266 HydrophobicContact CG1-CB 4.21Å; V234-A266 WeakPolarHBondContact O-CA 3.39Å; V234-A266 WeakPolarHBondContact O-CB 3.42Å
235D86.7Confident85.9Confident89 Ų8930.7 Ų30.748%0.47616%0.162SC..THydrogen-bonded Turntrans-71.80.5179.4-66.3-27.5000113.1S215 S233 F237S215-D235 VanDerWaalsContact CB-OD2 3.25Å; S215-D235 WeakPolarHBondContact CB-OD2 3.45Å; S215-D235 PolarHBondContact OG-OD2 2.97Å; S233-D235 PolarHBondContact O-N 3.44Å; S233-D235 PolarHBondContact OG-N 3.28Å; D235-F237 VanDerWaalsContact C-N 3.32Å; D235-F237 HydrophobicContact CB-CD2 3.76Å; D235-F237 HydrophobicContact CB-CE2 4.18Å
236G85.6Confident85.5Confident0 Ų029.6 Ų29.60%016%0.16CC..SBendtrans85.42179.900000114S233 V234 M262 M263 D265S233-G236 PolarHBondContact O-N 3.12Å; V234-G236 PolarHBondContact O-N 3.48Å; V234-G236 VanDerWaalsContact O-N 3.08Å; G236-M262 CarbonylContact O-C 3.5Å; G236-M262 WeakPolarHBondContact O-CA 2.98Å; G236-M263 PolarHBondContact O-N 2.96Å; G236-D265 WeakPolarHBondContact CA-O 3.38Å
237F89.3Confident85.4Confident78 Ų7836.3 Ų36.334%0.34219%0.187SC..EExtended strand (participates in β ladder)trans-84.3140.4179.6-69-71.4000112S233 D235 F260 M262S233-F237 PolarHBondContact N-O 3.45Å; S233-F237 PolarHBondContact OG-N 2.92Å; S233-F237 PolarHBondContact OG-O 3.31Å; D235-F237 VanDerWaalsContact C-N 3.32Å; D235-F237 HydrophobicContact CB-CD2 3.76Å; D235-F237 HydrophobicContact CB-CE2 4.18Å; F237-F260 HydrophobicContact CD1-CB 3.78Å; F237-F260 HydrophobicContact CD1-CG 4.4Å; F237-F260 HydrophobicContact CE1-CB 4.31Å; F237-M262 HydrophobicContact CD1-CB 4.33Å; F237-M262 HydrophobicContact CE1-CB 4.4Å
238I89.9Confident85.4Confident0 Ų034.6 Ų34.60%018%0.18CC..EExtended strand (participates in β ladder)trans-115.4114.7174.8-56.5151.3000108.2V230 T231 M261 M263 V267 M270 L279 T281 W291V230-I238 HydrophobicContact CG1-CG2 3.52Å; T231-I238 WeakPolarHBondContact O-CA 3.32Å; I238-M261 HydrophobicContact CB-CB 3.91Å; I238-M261 HydrophobicContact CB-CE 4.43Å; I238-M261 HydrophobicContact CD1-CB 4.09Å; I238-M261 HydrophobicContact CG2-CE 3.91Å; I238-M261 PolarHBondContact N-O 2.84Å; I238-M263 HydrophobicContact CD1-CG 4.21Å; I238-V267 HydrophobicContact CG1-CG2 4.09Å; I238-M270 HydrophobicContact CG2-SD 4.09Å; I238-L279 HydrophobicContact CG2-CD2 3.73Å; I238-T281 HydrophobicContact CD1-CG2 3.51Å; I238-T281 HydrophobicContact CG1-CG2 4.17Å; I238-W291 HydrophobicContact CD1-CZ2 4.39Å
239E88.8Confident85Confident32 Ų3235 Ų3515%0.1518%0.181CC..EExtended strand (participates in β ladder)trans-114.3145.5-173.1-64.4177.6138.300111.1F211 V230 T231 W241 F260F211-E239 VanDerWaalsContact CE1-OE2 3.24Å; F211-E239 WeakPolarHBondContact CE1-OE2 3.47Å; V230-E239 VanDerWaalsContact CA-O 3.29Å; V230-E239 WeakPolarHBondContact CA-O 3.5Å; T231-E239 PolarHBondContact N-O 3.43Å; T231-E239 PolarHBondContact O-N 2.81Å; E239-W241 HydrophobicContact CB-CZ2 4.29Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.25Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.31Å; E239-F260 HydrophobicContact CG-CD1 4.2Å; E239-F260 HydrophobicContact CG-CE1 4.35Å
240V89.7Confident83.9Confident0 Ų042.9 Ų42.90%022%0.215CC..EExtended strand (participates in β ladder)trans-117.7119.4-176.8-171.70000108.7Y228 V230 R249 L252 Q255 M261Y228-V240 HydrophobicContact CD1-CG1 3.79Å; Y228-V240 HydrophobicContact CG-CG1 4.15Å; V230-V240 HydrophobicContact CG2-CB 4.24Å; V230-V240 HydrophobicContact CG2-CG1 3.97Å; V230-V240 HydrophobicContact CG2-CG2 3.81Å; V240-R249 PolarHBondContact O-N 2.88Å; V240-L252 HydrophobicContact CB-CD1 3.9Å; V240-L252 HydrophobicContact CG1-CD1 3.93Å; V240-L252 HydrophobicContact CG2-CD1 4.13Å; V240-Q255 PolarHBondContact O-OE1 3.41Å; V240-M261 HydrophobicContact CG2-CE 3.81Å
241W87.2Confident82.5Confident20 Ų2049 Ų498%0.07625%0.248CC..EExtended strand (participates in β ladder)trans-112.4146.4-172.4-5785.8000110.4I209 F211 L229 T231 E239 I248I209-W241 HydrophobicContact CD1-CB 4.29Å; I209-W241 HydrophobicContact CD1-CD2 3.93Å; I209-W241 HydrophobicContact CD1-CE3 3.78Å; I209-W241 HydrophobicContact CD1-CG 4.15Å; I209-W241 HydrophobicContact CD1-CZ3 4.41Å; I209-W241 HydrophobicContact CG1-CE3 4.32Å; I209-W241 HydrophobicContact CG2-CD2 4.25Å; I209-W241 HydrophobicContact CG2-CE3 3.86Å; I209-W241 HydrophobicContact CG2-CH2 3.4Å; I209-W241 VanDerWaalsContact CG2-CH2 3.4Å; I209-W241 HydrophobicContact CG2-CZ2 3.81Å; I209-W241 HydrophobicContact CG2-CZ3 3.41Å; I209-W241 VanDerWaalsContact CG2-CZ3 3.41Å; F211-W241 HydrophobicContact CE1-CH2 4.45Å; F211-W241 AromaticContact CE1-CZ2 3.61Å; F211-W241 HydrophobicContact CE1-CZ2 3.61Å; F211-W241 HydrophobicContact CZ-CH2 4.46Å; F211-W241 AromaticContact CZ-CZ2 3.67Å; F211-W241 HydrophobicContact CZ-CZ2 3.67Å; L229-W241 HydrophobicContact CB-CB 4.23Å; L229-W241 PolarHBondContact N-O 3.02Å; L229-W241 WeakPolarHBondContact O-CB 3.21Å; L229-W241 PolarHBondContact O-N 3.27Å; T231-W241 PolarHBondContact OG1-NE1 3.41Å; E239-W241 HydrophobicContact CB-CZ2 4.29Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.25Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.31Å; W241-I248 HydrophobicContact CD2-CG1 4.08Å; W241-I248 HydrophobicContact CE3-CB 4.49Å; W241-I248 HydrophobicContact CE3-CG1 3.68Å; W241-I248 HydrophobicContact CH2-CD1 3.82Å; W241-I248 HydrophobicContact CH2-CG1 3.43Å; W241-I248 VanDerWaalsContact CH2-CG1 3.43Å; W241-I248 HydrophobicContact CZ2-CD1 4.18Å; W241-I248 HydrophobicContact CZ2-CG1 3.86Å; W241-I248 HydrophobicContact CZ3-CB 4.47Å; W241-I248 HydrophobicContact CZ3-CD1 4.2Å; W241-I248 HydrophobicContact CZ3-CG1 3.34Å
242N83.9Confident81.7Confident39 Ų3949.8 Ų49.821%0.20925%0.252CS..EExtended strand (participates in β ladder)trans-87.8111.3159.3-177.5-29.6000108.1T244 T245 G246 K247 R249N242-T244 PolarHBondContact O-N 3.42Å; N242-T244 WeakPolarHBondContact OD1-CB 3.28Å; N242-T244 PolarHBondContact OD1-N 3.28Å; N242-T245 WeakPolarHBondContact CB-OG1 3.1Å; N242-T245 PolarHBondContact O-N 3.08Å; N242-T245 PolarHBondContact OD1-N 3.46Å; N242-G246 WeakPolarHBondContact O-CA 3.33Å; N242-G246 PolarHBondContact O-N 3.31Å; N242-K247 PolarHBondContact N-O 3.13Å; N242-R249 HydrophobicContact CB-CG 3.97Å
243F80.1Confident80.5Confident12 Ų1257.7 Ų57.75%0.05329%0.286CS..THydrogen-bonded Turntrans-66.3-22.6-176.960.4-93.6000113.5F222 G226 L229 H493 L498 L510F222-F243 HydrophobicContact CD1-CD1 4.42Å; F222-F243 HydrophobicContact CE1-CB 3.98Å; F222-F243 HydrophobicContact CE1-CD1 4.24Å; F222-F243 HydrophobicContact CE1-CG 4.11Å; G226-F243 WeakPolarHBondContact O-CE1 3.46Å; G226-F243 WeakPolarHBondContact O-CZ 3.44Å; L229-F243 HydrophobicContact CB-CB 4.17Å; L229-F243 HydrophobicContact CD2-CB 4.43Å; F243-H493 AromaticContact CE1-NE2 3.66Å; F243-H493 AromaticContact CZ-CD2 3.97Å; F243-H493 AromaticContact CZ-NE2 3.41Å; F243-H493 WeakPolarHBondContact CZ-NE2 3.33Å; F243-L498 HydrophobicContact CB-CD2 4.09Å; F243-L498 HydrophobicContact CD2-CD2 3.33Å; F243-L498 HydrophobicContact CE2-CD2 3.99Å; F243-L498 HydrophobicContact CG-CD2 3.9Å; F243-L510 HydrophobicContact CB-CD1 4.03Å; F243-L510 WeakPolarHBondContact O-CD1 3.27Å
244T77.7Confident79.7Confident74 Ų7458.4 Ų58.445%0.45429%0.289SS..THydrogen-bonded Turntrans-75.8-40.1177.6-56.90000111.3N242N242-T244 PolarHBondContact O-N 3.42Å; N242-T244 WeakPolarHBondContact OD1-CB 3.28Å; N242-T244 PolarHBondContact OD1-N 3.28Å
245T76.5Confident78.8Confident76 Ų7656.6 Ų56.647%0.46628%0.277SS..THydrogen-bonded Turntrans-93.7-17.3-177.362.70000113.1N242 K247N242-T245 WeakPolarHBondContact CB-OG1 3.1Å; N242-T245 PolarHBondContact O-N 3.08Å; N242-T245 PolarHBondContact OD1-N 3.46Å; T245-K247 PolarHBondContact O-N 3.49Å
246G71.2Confident77.6Confident18 Ų1854.9 Ų54.919%0.18628%0.276CS..THydrogen-bonded Turntrans65.819.4-175.400000113.3N242N242-G246 WeakPolarHBondContact O-CA 3.33Å; N242-G246 PolarHBondContact O-N 3.31Å
247K79.4Confident76.6Confident152 Ų15261.3 Ų61.366%0.66131%0.306SS*.EExtended strand (participates in β ladder)trans-113.8148.1-179.1-66.6-176.4179.9-178.70110.6N242 T245N242-K247 PolarHBondContact N-O 3.13Å; T245-K247 PolarHBondContact O-N 3.49Å
248I82.1Confident75.4Confident54 Ų5463.4 Ų63.428%0.27732%0.321SS..EExtended strand (participates in β ladder)trans-57.4136.6169.2-59.2177.8000108.5W241 K250 Q255W241-I248 HydrophobicContact CD2-CG1 4.08Å; W241-I248 HydrophobicContact CE3-CB 4.49Å; W241-I248 HydrophobicContact CE3-CG1 3.68Å; W241-I248 HydrophobicContact CH2-CD1 3.82Å; W241-I248 HydrophobicContact CH2-CG1 3.43Å; W241-I248 VanDerWaalsContact CH2-CG1 3.43Å; W241-I248 HydrophobicContact CZ2-CD1 4.18Å; W241-I248 HydrophobicContact CZ2-CG1 3.86Å; W241-I248 HydrophobicContact CZ3-CB 4.47Å; W241-I248 HydrophobicContact CZ3-CD1 4.2Å; W241-I248 HydrophobicContact CZ3-CG1 3.34Å; I248-K250 PolarHBondContact O-N 3.2Å; I248-Q255 HydrophobicContact CG2-CB 4.45Å
249R75.7Confident74.5Confident44 Ų4468.7 Ų68.717%0.16635%0.349CS..  trans-75.4112.1178-80-145.9-172-159.714.6110.8Q227 Y228 V240 N242 D251 L252 Q255Q227-R249 PolarHBondContact O-NH2 2.98Å; Y228-R249 VanDerWaalsContact CE1-CZ 3.41Å; V240-R249 PolarHBondContact O-N 2.88Å; N242-R249 HydrophobicContact CB-CG 3.97Å; R249-D251 VanDerWaalsContact C-N 3.29Å; R249-D251 IonicContact NH1-OD2 3.69Å; R249-L252 HydrophobicContact CB-CD1 4.4Å; R249-Q255 PolarHBondContact O-OE1 2.46Å
250K65.6Low73.8Confident166 Ų16669.3 Ų69.372%0.72235%0.351SS*.THydrogen-bonded Turntrans-82.6-4170-62-168.8176.8-166.90113.8I248 L252 A256I248-K250 PolarHBondContact O-N 3.2Å; K250-L252 PolarHBondContact O-N 3.32Å; K250-A256 HydrophobicContact CB-CB 4.49Å; K250-A256 WeakPolarHBondContact O-CB 3.3Å
251D63.1Low73.4Confident128 Ų12869.3 Ų69.368%0.68435%0.351SS*.THydrogen-bonded Turntrans-68.1-27.4174.6-57.4-25.6000111.5R249 K253R249-D251 VanDerWaalsContact C-N 3.29Å; R249-D251 IonicContact NH1-OD2 3.69Å; D251-K253 PolarHBondContact O-N 3.45Å
252L72.4Confident73.4Confident16 Ų1673.1 Ų73.18%0.08437%0.371CS..SBendtrans-79.5109.3175.1-66.3169.1000108.4V240 R249 K250 Y254 Q255 A256V240-L252 HydrophobicContact CB-CD1 3.9Å; V240-L252 HydrophobicContact CG1-CD1 3.93Å; V240-L252 HydrophobicContact CG2-CD1 4.13Å; R249-L252 HydrophobicContact CB-CD1 4.4Å; K250-L252 PolarHBondContact O-N 3.32Å; L252-Y254 HydrophobicContact CB-CD1 4.1Å; L252-Y254 HydrophobicContact CB-CE1 3.67Å; L252-Y254 HydrophobicContact CD1-CE1 4.26Å; L252-Y254 HydrophobicContact CD2-CE1 3.99Å; L252-Y254 HydrophobicContact CG-CE1 4.17Å; L252-Y254 PolarHBondContact O-N 3.41Å; L252-Q255 HydrophobicContact CB-CB 4.41Å; L252-Q255 PolarHBondContact O-N 3.46Å; L252-A256 PolarHBondContact O-N 3.11Å
253K66.4Low73.5Confident166 Ų16671.4 Ų71.472%0.72236%0.362SS*.Hα-helixtrans-53.3-32.1-173.1-67.4-175.7-179.9-179.80113.7D251 Q257D251-K253 PolarHBondContact O-N 3.45Å; K253-Q257 WeakPolarHBondContact O-CB 3.36Å; K253-Q257 WeakPolarHBondContact O-CG 3.31Å; K253-Q257 PolarHBondContact O-N 3.19Å
254Y73.3Confident73.7Confident18 Ų1875.8 Ų75.87%0.07139%0.386CS..Hα-helixtrans-72.9-41.2178.863.9-89.9000112.5L252 A256 Q257 D258 N259 M261 I293 S295 G296L252-Y254 HydrophobicContact CB-CD1 4.1Å; L252-Y254 HydrophobicContact CB-CE1 3.67Å; L252-Y254 HydrophobicContact CD1-CE1 4.26Å; L252-Y254 HydrophobicContact CD2-CE1 3.99Å; L252-Y254 HydrophobicContact CG-CE1 4.17Å; L252-Y254 PolarHBondContact O-N 3.41Å; Y254-A256 VanDerWaalsContact C-N 3.34Å; Y254-Q257 CarbonylContact O-C 3.58Å; Y254-Q257 PolarHBondContact O-N 2.97Å; Y254-D258 PolarHBondContact O-N 3.35Å; Y254-N259 WeakPolarHBondContact CD2-O 2.87Å; Y254-N259 PolarHBondContact O-N 3.23Å; Y254-M261 HydrophobicContact CE2-CE 4.04Å; Y254-M261 HydrophobicContact CE2-CG 4.21Å; Y254-M261 WeakPolarHBondContact OH-CE 3.39Å; Y254-I293 WeakPolarHBondContact CE1-O 3.37Å; Y254-I293 PolarHBondContact OH-O 3.13Å; Y254-S295 WeakPolarHBondContact CD1-O 3.39Å; Y254-G296 VanDerWaalsContact CE1-CA 3.45Å
255Q71Confident74.2Confident6 Ų675.3 Ų75.33%0.02838%0.38CS..Hα-helixtrans-71.6-29.6173.5-82.7178-7.200112.6V240 I248 R249 L252 Q257 D258 F260V240-Q255 PolarHBondContact O-OE1 3.41Å; I248-Q255 HydrophobicContact CG2-CB 4.45Å; R249-Q255 PolarHBondContact O-OE1 2.46Å; L252-Q255 HydrophobicContact CB-CB 4.41Å; L252-Q255 PolarHBondContact O-N 3.46Å; Q255-Q257 PolarHBondContact O-N 2.88Å; Q255-D258 PolarHBondContact O-N 3.34Å; Q255-F260 HydrophobicContact CB-CE1 4.32Å; Q255-F260 HydrophobicContact CG-CD1 3.76Å; Q255-F260 HydrophobicContact CG-CE1 3.74Å
256A61.6Low74.8Confident54 Ų5471.9 Ų71.945%0.44636%0.36SS..Hα-helixtrans-67.5-20.1171.600000113.3K250 L252 Y254K250-A256 HydrophobicContact CB-CB 4.49Å; K250-A256 WeakPolarHBondContact O-CB 3.3Å; L252-A256 PolarHBondContact O-N 3.11Å; Y254-A256 VanDerWaalsContact C-N 3.34Å
257Q63Low75.8Confident134 Ų13471 Ų7163%0.62635%0.351SS*.THydrogen-bonded Turntrans-107.613.6180-68.3174.7-1.800112.4K253 Y254 Q255 N259K253-Q257 WeakPolarHBondContact O-CB 3.36Å; K253-Q257 WeakPolarHBondContact O-CG 3.31Å; K253-Q257 PolarHBondContact O-N 3.19Å; Y254-Q257 CarbonylContact O-C 3.58Å; Y254-Q257 PolarHBondContact O-N 2.97Å; Q255-Q257 PolarHBondContact O-N 2.88Å; Q257-N259 PolarHBondContact O-N 3.48Å
258D64.8Low76.4Confident123 Ų12365.5 Ų65.566%0.65833%0.329SS*.THydrogen-bonded Turntrans55.517.4-176.1-64.2-31000115.4Y254 Q255 F260Y254-D258 PolarHBondContact O-N 3.35Å; Q255-D258 PolarHBondContact O-N 3.34Å; D258-F260 VanDerWaalsContact C-N 3.3Å; D258-F260 HydrophobicContact CB-CE2 4.02Å; D258-F260 WeakPolarHBondContact O-CD2 3.36Å; D258-F260 PolarHBondContact O-N 3.42Å; D258-F260 VanDerWaalsContact O-N 3.12Å
259N70.2Confident76.8Confident110 Ų11063.4 Ų63.459%0.58832%0.319SS*.  trans-86.872.3171.4-78.7-33.9000109.4Y254 Q257Y254-N259 WeakPolarHBondContact CD2-O 2.87Å; Y254-N259 PolarHBondContact O-N 3.23Å; Q257-N259 PolarHBondContact O-N 3.48Å
260F75.5Confident77.6Confident45 Ų4561.7 Ų61.720%0.19731%0.313CS..  trans-67.5152.9179.5-64.4-81.8000112.3F237 E239 Q255 D258 M262F237-F260 HydrophobicContact CD1-CB 3.78Å; F237-F260 HydrophobicContact CD1-CG 4.4Å; F237-F260 HydrophobicContact CE1-CB 4.31Å; E239-F260 HydrophobicContact CG-CD1 4.2Å; E239-F260 HydrophobicContact CG-CE1 4.35Å; Q255-F260 HydrophobicContact CB-CE1 4.32Å; Q255-F260 HydrophobicContact CG-CD1 3.76Å; Q255-F260 HydrophobicContact CG-CE1 3.74Å; D258-F260 VanDerWaalsContact C-N 3.3Å; D258-F260 HydrophobicContact CB-CE2 4.02Å; D258-F260 WeakPolarHBondContact O-CD2 3.36Å; D258-F260 PolarHBondContact O-N 3.42Å; D258-F260 VanDerWaalsContact O-N 3.12Å; F260-M262 PolarHBondContact O-N 2.91Å
261M81.3Confident78.9Confident1 Ų154.2 Ų54.21%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-66.7123.8166.1-69.5176.3-72.200107.5I238 V240 Y254 W291I238-M261 HydrophobicContact CB-CB 3.91Å; I238-M261 HydrophobicContact CB-CE 4.43Å; I238-M261 HydrophobicContact CD1-CB 4.09Å; I238-M261 HydrophobicContact CG2-CE 3.91Å; I238-M261 PolarHBondContact N-O 2.84Å; V240-M261 HydrophobicContact CG2-CE 3.81Å; Y254-M261 HydrophobicContact CE2-CE 4.04Å; Y254-M261 HydrophobicContact CE2-CG 4.21Å; Y254-M261 WeakPolarHBondContact OH-CE 3.39Å; M261-W291 HydrophobicContact CB-CD2 4.1Å; M261-W291 HydrophobicContact CB-CE3 4.01Å; M261-W291 HydrophobicContact CB-CH2 4.31Å; M261-W291 HydrophobicContact CB-CZ2 4.38Å; M261-W291 HydrophobicContact CB-CZ3 4.11Å; M261-W291 HydrophobicContact CG-CD2 3.97Å; M261-W291 HydrophobicContact CG-CE3 3.66Å; M261-W291 HydrophobicContact CG-CG 4.38Å; M261-W291 HydrophobicContact CG-CZ3 4.08Å; M261-W291 HydrophobicContact SD-CB 3.64Å; M261-W291 HydrophobicContact SD-CD2 4.07Å; M261-W291 HydrophobicContact SD-CE3 4.21Å; M261-W291 HydrophobicContact SD-CG 3.84Å
262M86.4Confident80.3Confident99 Ų9948.6 Ų48.649%0.48825%0.251SS..EExtended strand (participates in β ladder)trans-130.7138.7-173.667.7179.5-60.800113.5G236 F237 F260 K289 W291G236-M262 CarbonylContact O-C 3.5Å; G236-M262 WeakPolarHBondContact O-CA 2.98Å; F237-M262 HydrophobicContact CD1-CB 4.33Å; F237-M262 HydrophobicContact CE1-CB 4.4Å; F260-M262 PolarHBondContact O-N 2.91Å; M262-K289 PolarHBondContact O-NZ 3.39Å; M262-W291 WeakPolarHBondContact O-CH2 3.35Å; M262-W291 WeakPolarHBondContact O-CZ2 3.28Å
263M85.3Confident81.1Confident4 Ų447.9 Ų47.92%0.0225%0.247CC..  trans-105.7161.9164.3-57.6-161.877.900109.3G236 I238 D265 V267 T281 A283 K289G236-M263 PolarHBondContact O-N 2.96Å; I238-M263 HydrophobicContact CD1-CG 4.21Å; M263-D265 VanDerWaalsContact C-N 3.27Å; M263-V267 HydrophobicContact CB-CG2 4.1Å; M263-V267 HydrophobicContact CG-CG2 4.02Å; M263-V267 HydrophobicContact SD-CG1 4.4Å; M263-V267 HydrophobicContact SD-CG2 3.98Å; M263-T281 PolarHBondContact SD-OG1 3.11Å; M263-A283 HydrophobicContact CB-CB 4.22Å; M263-A283 HydrophobicContact CE-CB 3.46Å; M263-A283 VanDerWaalsContact CE-CB 3.46Å; M263-A283 HydrophobicContact SD-CB 3.78Å; M263-K289 HydrophobicContact CE-CB 4.13Å; M263-K289 HydrophobicContact CE-CD 4.22Å; M263-K289 HydrophobicContact CE-CG 3.95Å; M263-K289 HydrophobicContact CG-CD 4.29Å
264D84.4Confident82Confident103 Ų10347 Ų4755%0.55124%0.239SC*.SBendtrans-82.1-15.6-173.5-49-20.8000111.2K287 K289D264-K287 IonicContact OD2-NZ 3.35Å; D264-K287 PolarHBondContact OD2-NZ 3.47Å; D264-K289 IonicContact OD1-NZ 2.72Å
265D88.4Confident82.4Confident64 Ų6449.5 Ų49.534%0.34225%0.253SS..SBendtrans-143.2177-176.5-154.5-9.2000109.8G236 M263 V267 D285G236-D265 WeakPolarHBondContact CA-O 3.38Å; M263-D265 VanDerWaalsContact C-N 3.27Å; D265-V267 PolarHBondContact O-N 3.24Å; D265-D285 HydrophobicContact CB-CB 4.14Å
266A89.3Confident83.1Confident4 Ų450.5 Ų50.53%0.03326%0.26CS..  trans-54.7133.2-176.800000113.3V234 L268 A283 Q284V234-A266 HydrophobicContact CG1-CB 4.21Å; V234-A266 WeakPolarHBondContact O-CA 3.39Å; V234-A266 WeakPolarHBondContact O-CB 3.42Å; A266-L268 PolarHBondContact O-N 3.28Å; A266-A283 CarbonylContact O-C 3.25Å; A266-A283 VanDerWaalsContact O-CA 3.26Å; A266-A283 WeakPolarHBondContact O-CA 3.48Å; A266-Q284 HydrophobicContact CB-CB 4.42Å; A266-Q284 PolarHBondContact O-N 3.05Å
267V92.6Very high84.3Confident0 Ų052.1 Ų52.10%026%0.258CS..EExtended strand (participates in β ladder)trans-86.999.2178.7-172.80000109.6E218 C219 S233 I238 M263 D265 M270E218-V267 WeakPolarHBondContact CB-O 3.4Å; C219-V267 PolarHBondContact SG-O 2.62Å; S233-V267 PolarHBondContact O-N 3.47Å; I238-V267 HydrophobicContact CG1-CG2 4.09Å; M263-V267 HydrophobicContact CB-CG2 4.1Å; M263-V267 HydrophobicContact CG-CG2 4.02Å; M263-V267 HydrophobicContact SD-CG1 4.4Å; M263-V267 HydrophobicContact SD-CG2 3.98Å; D265-V267 PolarHBondContact O-N 3.24Å; V267-M270 HydrophobicContact CG1-CG 3.85Å; V267-M270 HydrophobicContact CG1-SD 4.33Å
268L91.3Very high85.7Confident37 Ų3747.4 Ų47.419%0.19424%0.236CC..EExtended strand (participates in β ladder)trans-76.9-31.2-177-60.9177.9000112.8A266 G282 Q284 V310 F327A266-L268 PolarHBondContact O-N 3.28Å; L268-G282 PolarHBondContact N-O 3.43Å; L268-G282 VanDerWaalsContact N-O 3.08Å; L268-Q284 HydrophobicContact CD1-CB 4.02Å; L268-Q284 HydrophobicContact CD1-CG 4.49Å; L268-Q284 HydrophobicContact CG-CB 4.22Å; L268-V310 WeakPolarHBondContact CB-O 3.49Å; L268-F327 HydrophobicContact CD1-CE2 3.89Å
269C90.8Very high87Confident10 Ų1041.5 Ų41.57%0.06821%0.205CC..EExtended strand (participates in β ladder)trans-150.2154-175.962.40000114.1T281 G282 V310 T311 C312C269-T281 WeakPolarHBondContact O-CA 3.46Å; C269-G282 PolarHBondContact N-O 2.94Å; C269-G282 PolarHBondContact O-N 2.97Å; C269-V310 PolarHBondContact SG-O 3.49Å; C269-V310 VanDerWaalsContact SG-O 3.33Å; C269-T311 WeakPolarHBondContact CB-O 3.35Å; C269-C312 VanDerWaalsContact SG-CA 3.55Å
270M93.2Very high88.1Confident8 Ų836.3 Ų36.34%0.03918%0.177CC..EExtended strand (participates in β ladder)trans-144.7149.2178.7-61.3-176.6-56.400112.1C219 R221 V230 G232 I238 V267 L279 A280 T281C219-M270 HydrophobicContact CB-CE 4.33Å; C219-M270 VanDerWaalsContact O-CE 3.27Å; C219-M270 WeakPolarHBondContact O-CE 3.2Å; C219-M270 VanDerWaalsContact SG-CG 3.58Å; R221-M270 VanDerWaalsContact CD-O 3.24Å; R221-M270 WeakPolarHBondContact CD-O 3.38Å; R221-M270 PolarHBondContact NH1-O 3.17Å; V230-M270 HydrophobicContact CG1-CE 4.06Å; V230-M270 HydrophobicContact CG1-SD 3.87Å; V230-M270 WeakPolarHBondContact O-CE 3.3Å; G232-M270 VanDerWaalsContact N-CE 3.29Å; I238-M270 HydrophobicContact CG2-SD 4.09Å; V267-M270 HydrophobicContact CG1-CG 3.85Å; V267-M270 HydrophobicContact CG1-SD 4.33Å; M270-L279 HydrophobicContact CB-CD1 4.46Å; M270-A280 CarbonylContact C-O 3.54Å; M270-A280 VanDerWaalsContact CA-O 3.32Å; M270-A280 WeakPolarHBondContact CA-O 3.2Å; M270-T281 HydrophobicContact CB-CG2 4.45Å; M270-T281 HydrophobicContact CG-CG2 3.72Å; M270-T281 HydrophobicContact SD-CG2 4.13Å
271C92.9Very high89Confident8 Ų834.1 Ų34.15%0.05417%0.168CC..EExtended strand (participates in β ladder)trans-143.7142.1173.2-164.50000111.1A280 V313 F315C271-A280 PolarHBondContact N-O 3.22Å; C271-A280 PolarHBondContact O-N 2.86Å; C271-V313 HydrophobicContact CB-CG1 4.39Å; C271-V313 WeakPolarHBondContact CB-O 3.43Å; C271-F315 HydrophobicContact CB-CD2 4.16Å; C271-F315 WeakPolarHBondContact O-CE2 3.42Å
272F91.7Very high89.6Confident11 Ų1134.1 Ų34.15%0.04817%0.167CC..EExtended strand (participates in β ladder)trans-91.1146.5170.9-81.1-92.5000110.9R221 F222 P224 V230 L279 I293 F315R221-F272 HydrophobicContact CB-CD2 4.29Å; R221-F272 HydrophobicContact CB-CE2 4.26Å; R221-F272 HydrophobicContact CG-CD2 4.33Å; F222-F272 WeakPolarHBondContact O-CD2 3.21Å; P224-F272 VanDerWaalsContact CD-CB 3.42Å; P224-F272 HydrophobicContact CG-CB 3.92Å; V230-F272 HydrophobicContact CB-CE2 4.04Å; V230-F272 HydrophobicContact CB-CZ 3.89Å; V230-F272 HydrophobicContact CG2-CE1 4.33Å; V230-F272 HydrophobicContact CG2-CE2 4.07Å; V230-F272 HydrophobicContact CG2-CZ 3.4Å; F272-L279 HydrophobicContact CD1-CD1 4.18Å; F272-L279 HydrophobicContact CD2-CD1 3.92Å; F272-L279 HydrophobicContact CE1-CD1 4.18Å; F272-L279 HydrophobicContact CE2-CD1 3.89Å; F272-L279 HydrophobicContact CG-CD1 4.08Å; F272-L279 HydrophobicContact CZ-CD1 4.05Å; F272-I293 HydrophobicContact CD1-CD1 3.53Å; F272-I293 HydrophobicContact CE1-CD1 3.29Å; F272-I293 HydrophobicContact CE1-CG1 4.24Å; F272-I293 HydrophobicContact CZ-CD1 4.46Å; F272-F315 WeakPolarHBondContact O-CD2 3.39Å
273S90.4Very high89.9Confident0 Ų029.4 Ų29.40%014%0.144CC..  trans-68.7155160.258.80000110.3P224 D275 T276 M278P224-S273 WeakPolarHBondContact CG-O 3.49Å; S273-D275 VanDerWaalsContact C-N 3.25Å; S273-D275 WeakPolarHBondContact CB-OD1 3.4Å; S273-D275 PolarHBondContact O-N 3.26Å; S273-D275 PolarHBondContact OG-OD1 3.13Å; S273-T276 PolarHBondContact O-N 3.44Å; S273-M278 PolarHBondContact N-O 2.71Å; S273-M278 WeakPolarHBondContact OG-CA 3.48Å; S273-M278 WeakPolarHBondContact OG-CB 3.32Å; S273-M278 PolarHBondContact OG-N 2.84Å; S273-M278 PolarHBondContact OG-O 2.8Å
274R83.9Confident90.2Very high149 Ų14934 Ų3456%0.56217%0.166SC*.THydrogen-bonded Turntrans-64.4-30.1-177.7-70.3-179.3168-142.6-18.4113.8T276 K317R274-T276 PolarHBondContact O-N 2.89Å; R274-K317 VanDerWaalsContact CZ-CG 3.47Å; R274-K317 VanDerWaalsContact NH2-CE 3.26Å
275D83.3Confident90.4Very high70 Ų7031.3 Ų31.337%0.37415%0.151SC..THydrogen-bonded Turntrans-77.4-3.6174.660.86000112.9S273 E277S273-D275 VanDerWaalsContact C-N 3.25Å; S273-D275 WeakPolarHBondContact CB-OD1 3.4Å; S273-D275 PolarHBondContact O-N 3.26Å; S273-D275 PolarHBondContact OG-OD1 3.13Å; D275-E277 HydrophobicContact CB-CG 4.47Å; D275-E277 PolarHBondContact O-N 2.92Å; D275-E277 VanDerWaalsContact O-N 3.1Å; D275-E277 PolarHBondContact OD1-N 2.8Å; D275-E277 VanDerWaalsContact OD1-N 3.16Å
276T85.3Confident90.5Very high26 Ų2628.3 Ų28.316%0.1614%0.135CC..SBendtrans62.45.4-17870.30000115.7P224 D225 S273 R274 I293P224-T276 HydrophobicContact CB-CG2 3.69Å; P224-T276 HydrophobicContact CG-CG2 3.91Å; D225-T276 HydrophobicContact CB-CG2 3.69Å; S273-T276 PolarHBondContact O-N 3.44Å; R274-T276 PolarHBondContact O-N 2.89Å; T276-I293 WeakPolarHBondContact O-CD1 3.44Å
277E87.3Confident90.6Very high88 Ų8829.8 Ų29.841%0.41114%0.141SC..SBendtrans-81.7-32-178.4-64.6-161.5171.200112.7D275 K292 I293D275-E277 HydrophobicContact CB-CG 4.47Å; D275-E277 PolarHBondContact O-N 2.92Å; D275-E277 VanDerWaalsContact O-N 3.1Å; D275-E277 PolarHBondContact OD1-N 2.8Å; D275-E277 VanDerWaalsContact OD1-N 3.16Å; E277-K292 WeakPolarHBondContact O-CA 3.2Å; E277-I293 PolarHBondContact O-N 2.68Å
278M91.1Very high90.7Very high35 Ų3529.8 Ų29.817%0.17214%0.141CC..EExtended strand (participates in β ladder)trans-112.9142.6-175.1-59.3-176.9-75.900112S273 V290 W291 L299 F315S273-M278 PolarHBondContact N-O 2.71Å; S273-M278 WeakPolarHBondContact OG-CA 3.48Å; S273-M278 WeakPolarHBondContact OG-CB 3.32Å; S273-M278 PolarHBondContact OG-N 2.84Å; S273-M278 PolarHBondContact OG-O 2.8Å; M278-V290 HydrophobicContact CB-CG1 4.26Å; M278-V290 HydrophobicContact SD-CG1 4.47Å; M278-W291 CarbonylContact C-O 3.6Å; M278-W291 VanDerWaalsContact CA-O 3.26Å; M278-W291 WeakPolarHBondContact CA-O 3.22Å; M278-L299 HydrophobicContact CG-CD1 4.06Å; M278-L299 HydrophobicContact SD-CD1 4.16Å; M278-F315 HydrophobicContact CB-CZ 4.22Å
279L92.9Very high90.7Very high0 Ų028.3 Ų28.30%013%0.133CC..EExtended strand (participates in β ladder)trans-122.1126.7172.3-177.377.1000108.6V230 I238 M270 F272 T281 V290 W291 I293V230-L279 HydrophobicContact CG1-CD1 4.44Å; V230-L279 HydrophobicContact CG1-CD2 3.82Å; I238-L279 HydrophobicContact CG2-CD2 3.73Å; M270-L279 HydrophobicContact CB-CD1 4.46Å; F272-L279 HydrophobicContact CD1-CD1 4.18Å; F272-L279 HydrophobicContact CD2-CD1 3.92Å; F272-L279 HydrophobicContact CE1-CD1 4.18Å; F272-L279 HydrophobicContact CE2-CD1 3.89Å; F272-L279 HydrophobicContact CG-CD1 4.08Å; F272-L279 HydrophobicContact CZ-CD1 4.05Å; L279-T281 HydrophobicContact CD2-CG2 3.77Å; L279-T281 HydrophobicContact CG-CG2 3.93Å; L279-V290 CarbonylContact O-C 3.59Å; L279-V290 WeakPolarHBondContact O-CA 3.31Å; L279-W291 HydrophobicContact CB-CB 4.43Å; L279-W291 PolarHBondContact N-O 3.48Å; L279-W291 PolarHBondContact O-N 2.93Å; L279-I293 HydrophobicContact CB-CD1 4.03Å; L279-I293 HydrophobicContact CB-CG1 3.9Å
280A93.6Very high90.8Very high0 Ų027.9 Ų27.90%013%0.13CC..EExtended strand (participates in β ladder)trans-102.8132.7169.900000109.5M270 C271 K289 V290 V313 F315 L322M270-A280 CarbonylContact C-O 3.54Å; M270-A280 VanDerWaalsContact CA-O 3.32Å; M270-A280 WeakPolarHBondContact CA-O 3.2Å; C271-A280 PolarHBondContact N-O 3.22Å; C271-A280 PolarHBondContact O-N 2.86Å; A280-K289 WeakPolarHBondContact CA-O 3.5Å; A280-V290 HydrophobicContact CB-CG2 4.19Å; A280-V313 HydrophobicContact CB-CG1 3.66Å; A280-F315 HydrophobicContact CB-CD2 4.4Å; A280-F315 HydrophobicContact CB-CE2 3.47Å; A280-F315 VanDerWaalsContact CB-CE2 3.47Å; A280-F315 HydrophobicContact CB-CZ 3.59Å; A280-L322 HydrophobicContact CB-CD1 3.63Å; A280-L322 HydrophobicContact CB-CD2 3.99Å; A280-L322 HydrophobicContact CB-CG 4.47Å
281T93.9Very high90.8Very high0 Ų028.1 Ų28.10%013%0.13CC..EExtended strand (participates in β ladder)trans-126.5136.6-179.863.30000110I238 M263 C269 M270 L279 I288 K289 W291I238-T281 HydrophobicContact CD1-CG2 3.51Å; I238-T281 HydrophobicContact CG1-CG2 4.17Å; M263-T281 PolarHBondContact SD-OG1 3.11Å; C269-T281 WeakPolarHBondContact O-CA 3.46Å; M270-T281 HydrophobicContact CB-CG2 4.45Å; M270-T281 HydrophobicContact CG-CG2 3.72Å; M270-T281 HydrophobicContact SD-CG2 4.13Å; L279-T281 HydrophobicContact CD2-CG2 3.77Å; L279-T281 HydrophobicContact CG-CG2 3.93Å; T281-I288 VanDerWaalsContact O-CA 3.31Å; T281-I288 WeakPolarHBondContact O-CA 3.49Å; T281-I288 WeakPolarHBondContact O-CG2 3.24Å; T281-K289 PolarHBondContact N-O 2.81Å; T281-K289 PolarHBondContact O-N 2.88Å; T281-K289 PolarHBondContact OG1-O 2.86Å; T281-W291 PolarHBondContact OG1-NE1 2.76Å
282G93.6Very high90.7Very high0 Ų031 Ų310%014%0.142CC..EExtended strand (participates in β ladder)trans-114.1134.6175.800000110.5L268 C269L268-G282 PolarHBondContact N-O 3.43Å; L268-G282 VanDerWaalsContact N-O 3.08Å; C269-G282 PolarHBondContact N-O 2.94Å; C269-G282 PolarHBondContact O-N 2.97Å
283A93.4Very high90.4Very high0 Ų030.6 Ų30.60%014%0.141CC..EExtended strand (participates in β ladder)trans-109.9166.5-179.500000112.7M263 A266 D285 G286 K287 V310M263-A283 HydrophobicContact CB-CB 4.22Å; M263-A283 HydrophobicContact CE-CB 3.46Å; M263-A283 VanDerWaalsContact CE-CB 3.46Å; M263-A283 HydrophobicContact SD-CB 3.78Å; A266-A283 CarbonylContact O-C 3.25Å; A266-A283 VanDerWaalsContact O-CA 3.26Å; A266-A283 WeakPolarHBondContact O-CA 3.48Å; A283-D285 VanDerWaalsContact CB-OD1 3.23Å; A283-D285 WeakPolarHBondContact CB-OD1 3.1Å; A283-D285 PolarHBondContact O-N 2.92Å; A283-G286 PolarHBondContact O-N 2.98Å; A283-K287 PolarHBondContact N-O 2.99Å; A283-K287 VanDerWaalsContact N-O 3.08Å; A283-V310 PolarHBondContact O-N 3.1Å
284Q91.6Very high90.1Very high101 Ų10136.5 Ų36.547%0.47217%0.168SC..THydrogen-bonded Turntrans-64.7-23.4176.8-177.9168.7-29.600113.5A266 L268 G286 G309A266-Q284 HydrophobicContact CB-CB 4.42Å; A266-Q284 PolarHBondContact O-N 3.05Å; L268-Q284 HydrophobicContact CD1-CB 4.02Å; L268-Q284 HydrophobicContact CD1-CG 4.49Å; L268-Q284 HydrophobicContact CG-CB 4.22Å; Q284-G286 PolarHBondContact O-N 3.05Å; Q284-G309 WeakPolarHBondContact O-CA 3.09Å; Q284-G309 PolarHBondContact O-N 2.79Å
285D89.1Confident90Very high47 Ų4731.5 Ų31.525%0.25116%0.156SC..THydrogen-bonded Turntrans-74.2-3.1175.568-1.4000114.2D265 A283 K287D265-D285 HydrophobicContact CB-CB 4.14Å; A283-D285 VanDerWaalsContact CB-OD1 3.23Å; A283-D285 WeakPolarHBondContact CB-OD1 3.1Å; A283-D285 PolarHBondContact O-N 2.92Å; D285-K287 VanDerWaalsContact C-N 3.33Å; D285-K287 VanDerWaalsContact OD1-CB 3.23Å; D285-K287 WeakPolarHBondContact OD1-CB 3.46Å; D285-K287 WeakPolarHBondContact OD1-CG 3.28Å; D285-K287 PolarHBondContact OD1-N 2.62Å; D285-K287 WeakPolarHBondContact OD2-CD 3.45Å; D285-K287 WeakPolarHBondContact OD2-CE 3.2Å; D285-K287 WeakPolarHBondContact OD2-CG 3.29Å; D285-K287 IonicContact OD2-NZ 3.42Å
286G88.5Confident89.9Confident0 Ų028.7 Ų28.70%014%0.144CC..SBendtrans83.66.5-178.500000114.3A283 Q284 A305 H306 K308A283-G286 PolarHBondContact O-N 2.98Å; Q284-G286 PolarHBondContact O-N 3.05Å; G286-A305 WeakPolarHBondContact O-CB 3.32Å; G286-H306 PolarHBondContact O-N 2.68Å; G286-K308 WeakPolarHBondContact CA-O 3.29Å
287K92.3Very high90Very high35 Ų3533.8 Ų33.815%0.15217%0.166CC..  trans-90.3150.3176.3-56.6-179.8-157.7-176.80111.2D264 A283 D285 F302 E303D264-K287 IonicContact OD2-NZ 3.35Å; D264-K287 PolarHBondContact OD2-NZ 3.47Å; A283-K287 PolarHBondContact N-O 2.99Å; A283-K287 VanDerWaalsContact N-O 3.08Å; D285-K287 VanDerWaalsContact C-N 3.33Å; D285-K287 VanDerWaalsContact OD1-CB 3.23Å; D285-K287 WeakPolarHBondContact OD1-CB 3.46Å; D285-K287 WeakPolarHBondContact OD1-CG 3.28Å; D285-K287 PolarHBondContact OD1-N 2.62Å; D285-K287 WeakPolarHBondContact OD2-CD 3.45Å; D285-K287 WeakPolarHBondContact OD2-CE 3.2Å; D285-K287 WeakPolarHBondContact OD2-CG 3.29Å; D285-K287 IonicContact OD2-NZ 3.42Å; K287-F302 WeakPolarHBondContact CA-O 3.43Å; K287-E303 WeakPolarHBondContact CD-OE1 3.44Å; K287-E303 WeakPolarHBondContact CE-OE1 3.43Å; K287-E303 IonicContact NZ-OE1 2.7Å; K287-E303 PolarHBondContact NZ-OE1 2.82Å
288I94Very high90.1Very high0 Ų031.2 Ų31.20%016%0.157CC..EExtended strand (participates in β ladder)trans-122.7130.8172.4-54.9172.1000108.4T281 F302 A305 V310 V313 L322 S324T281-I288 VanDerWaalsContact O-CA 3.31Å; T281-I288 WeakPolarHBondContact O-CA 3.49Å; T281-I288 WeakPolarHBondContact O-CG2 3.24Å; I288-F302 HydrophobicContact CB-CB 4.08Å; I288-F302 HydrophobicContact CB-CD2 4.13Å; I288-F302 HydrophobicContact CB-CG 4.5Å; I288-F302 HydrophobicContact CG2-CD2 4.19Å; I288-F302 PolarHBondContact N-O 3.33Å; I288-F302 VanDerWaalsContact N-O 3.16Å; I288-F302 PolarHBondContact O-N 3.3Å; I288-A305 HydrophobicContact CB-CB 4.43Å; I288-A305 HydrophobicContact CD1-CB 3.58Å; I288-A305 HydrophobicContact CG1-CB 3.76Å; I288-V310 HydrophobicContact CD1-CG1 4.24Å; I288-V310 HydrophobicContact CD1-CG2 4.33Å; I288-V310 HydrophobicContact CG1-CG1 4.27Å; I288-V310 HydrophobicContact CG1-CG2 3.91Å; I288-V313 HydrophobicContact CD1-CG2 4.38Å; I288-L322 HydrophobicContact CG2-CD2 3.68Å; I288-S324 VanDerWaalsContact CD1-CB 3.43Å
289K92.9Very high89.9Confident6 Ų632.9 Ų32.93%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-117.2139.6172.9-69.3-179.3-169.1173.60109.3M262 M263 D264 A280 T281 W291 R300 R301M262-K289 PolarHBondContact O-NZ 3.39Å; M263-K289 HydrophobicContact CE-CB 4.13Å; M263-K289 HydrophobicContact CE-CD 4.22Å; M263-K289 HydrophobicContact CE-CG 3.95Å; M263-K289 HydrophobicContact CG-CD 4.29Å; D264-K289 IonicContact OD1-NZ 2.72Å; A280-K289 WeakPolarHBondContact CA-O 3.5Å; T281-K289 PolarHBondContact N-O 2.81Å; T281-K289 PolarHBondContact O-N 2.88Å; T281-K289 PolarHBondContact OG1-O 2.86Å; K289-W291 HydrophobicContact CB-CZ2 3.85Å; K289-W291 HydrophobicContact CD-CH2 4.06Å; K289-W291 HydrophobicContact CD-CZ2 3.46Å; K289-W291 VanDerWaalsContact CD-CZ2 3.46Å; K289-W291 HydrophobicContact CG-CZ2 4.27Å; K289-R300 WeakPolarHBondContact CA-O 3.13Å; K289-R301 HydrophobicContact CG-CG 4.35Å
290V93.1Very high89.7Confident1 Ų138.6 Ų38.61%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-113.1127.6172.9-175.80000108.3M278 L279 A280 C298 L299 R300 F302 F315 L322 L336M278-V290 HydrophobicContact CB-CG1 4.26Å; M278-V290 HydrophobicContact SD-CG1 4.47Å; L279-V290 CarbonylContact O-C 3.59Å; L279-V290 WeakPolarHBondContact O-CA 3.31Å; A280-V290 HydrophobicContact CB-CG2 4.19Å; V290-C298 CarbonylContact O-C 3.56Å; V290-L299 PolarHBondContact O-N 3.15Å; V290-R300 HydrophobicContact CB-CB 4.17Å; V290-R300 HydrophobicContact CG2-CB 4.42Å; V290-R300 PolarHBondContact N-O 2.86Å; V290-R300 PolarHBondContact O-N 3.44Å; V290-F302 HydrophobicContact CG2-CE2 3.96Å; V290-F315 HydrophobicContact CG1-CZ 4.38Å; V290-L322 HydrophobicContact CG2-CD2 4.45Å; V290-L336 HydrophobicContact CB-CD2 4.47Å; V290-L336 HydrophobicContact CG1-CD2 4.09Å; V290-L336 HydrophobicContact CG2-CD2 3.92Å
291W91.8Very high89.6Confident13 Ų1346 Ų465%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-117.5149.3-172.1-53.491.6000110.3I238 M261 M262 M278 L279 T281 K289 Q297 C298I238-W291 HydrophobicContact CD1-CZ2 4.39Å; M261-W291 HydrophobicContact CB-CD2 4.1Å; M261-W291 HydrophobicContact CB-CE3 4.01Å; M261-W291 HydrophobicContact CB-CH2 4.31Å; M261-W291 HydrophobicContact CB-CZ2 4.38Å; M261-W291 HydrophobicContact CB-CZ3 4.11Å; M261-W291 HydrophobicContact CG-CD2 3.97Å; M261-W291 HydrophobicContact CG-CE3 3.66Å; M261-W291 HydrophobicContact CG-CG 4.38Å; M261-W291 HydrophobicContact CG-CZ3 4.08Å; M261-W291 HydrophobicContact SD-CB 3.64Å; M261-W291 HydrophobicContact SD-CD2 4.07Å; M261-W291 HydrophobicContact SD-CE3 4.21Å; M261-W291 HydrophobicContact SD-CG 3.84Å; M262-W291 WeakPolarHBondContact O-CH2 3.35Å; M262-W291 WeakPolarHBondContact O-CZ2 3.28Å; M278-W291 CarbonylContact C-O 3.6Å; M278-W291 VanDerWaalsContact CA-O 3.26Å; M278-W291 WeakPolarHBondContact CA-O 3.22Å; L279-W291 HydrophobicContact CB-CB 4.43Å; L279-W291 PolarHBondContact N-O 3.48Å; L279-W291 PolarHBondContact O-N 2.93Å; T281-W291 PolarHBondContact OG1-NE1 2.76Å; K289-W291 HydrophobicContact CB-CZ2 3.85Å; K289-W291 HydrophobicContact CD-CH2 4.06Å; K289-W291 HydrophobicContact CD-CZ2 3.46Å; K289-W291 VanDerWaalsContact CD-CZ2 3.46Å; K289-W291 HydrophobicContact CG-CZ2 4.27Å; W291-Q297 WeakPolarHBondContact CA-O 3.34Å; W291-C298 HydrophobicContact CD2-CB 4.32Å; W291-C298 HydrophobicContact CE3-CB 3.67Å; W291-C298 HydrophobicContact CH2-CB 4.06Å; W291-C298 HydrophobicContact CZ3-CB 3.53Å
292K90.5Very high89.4Confident69 Ų6946.4 Ų46.430%0.322%0.218SC..EExtended strand (participates in β ladder)trans-94.5119.7164.6-171.5169.2-173.9168.90109E277 Q294 S295 G296 Q297 L299E277-K292 WeakPolarHBondContact O-CA 3.2Å; K292-Q294 PolarHBondContact O-N 2.93Å; K292-S295 PolarHBondContact O-N 2.82Å; K292-G296 WeakPolarHBondContact O-CA 3.49Å; K292-G296 PolarHBondContact O-N 2.78Å; K292-Q297 PolarHBondContact N-O 3.33Å; K292-L299 HydrophobicContact CB-CD1 3.94Å; K292-L299 HydrophobicContact CB-CD2 4.3Å; K292-L299 HydrophobicContact CB-CG 4.02Å
293I85.7Confident88.8Confident3 Ų351.4 Ų51.42%0.01524%0.241CC..THydrogen-bonded Turntrans-65.6-38.5-170-69.7144.2000112.5Y254 F272 T276 E277 L279 S295Y254-I293 WeakPolarHBondContact CE1-O 3.37Å; Y254-I293 PolarHBondContact OH-O 3.13Å; F272-I293 HydrophobicContact CD1-CD1 3.53Å; F272-I293 HydrophobicContact CE1-CD1 3.29Å; F272-I293 HydrophobicContact CE1-CG1 4.24Å; F272-I293 HydrophobicContact CZ-CD1 4.46Å; T276-I293 WeakPolarHBondContact O-CD1 3.44Å; E277-I293 PolarHBondContact O-N 2.68Å; L279-I293 HydrophobicContact CB-CD1 4.03Å; L279-I293 HydrophobicContact CB-CG1 3.9Å; I293-S295 PolarHBondContact O-N 3.27Å
294Q83.4Confident88.2Confident123 Ų12362.3 Ų62.358%0.57528%0.282SS*.THydrogen-bonded Turntrans-66.3-37.4-178.9-69.6-179.9-7.800113.1K292K292-Q294 PolarHBondContact O-N 2.93Å
295S82.4Confident87.9Confident44 Ų4457.5 Ų57.531%0.30826%0.26SS..THydrogen-bonded Turntrans-99.4-17.7-177650000113.7Y254 K292 I293 Q297Y254-S295 WeakPolarHBondContact CD1-O 3.39Å; K292-S295 PolarHBondContact O-N 2.82Å; I293-S295 PolarHBondContact O-N 3.27Å; S295-Q297 PolarHBondContact O-N 3.41Å; S295-Q297 PolarHBondContact OG-N 3.05Å
296G82.1Confident87.9Confident12 Ų1255.9 Ų55.912%0.12425%0.251CS..  trans696.6-172.700000113.3Y254 K292Y254-G296 VanDerWaalsContact CE1-CA 3.45Å; K292-G296 WeakPolarHBondContact O-CA 3.49Å; K292-G296 PolarHBondContact O-N 2.78Å
297Q86.1Confident87.9Confident133 Ų13360.7 Ų60.762%0.62129%0.285SS*.  trans-82.4140.1-177.1-67.9-177.7-10.800111.2W291 K292 S295 L299W291-Q297 WeakPolarHBondContact CA-O 3.34Å; K292-Q297 PolarHBondContact N-O 3.33Å; S295-Q297 PolarHBondContact O-N 3.41Å; S295-Q297 PolarHBondContact OG-N 3.05Å; Q297-L299 PolarHBondContact O-N 3.35Å
298C89.3Confident87.8Confident34 Ų3463.8 Ų63.823%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-75110.3172.2-1710000109.6V290 W291 R300 R301V290-C298 CarbonylContact O-C 3.56Å; W291-C298 HydrophobicContact CD2-CB 4.32Å; W291-C298 HydrophobicContact CE3-CB 3.67Å; W291-C298 HydrophobicContact CH2-CB 4.06Å; W291-C298 HydrophobicContact CZ3-CB 3.53Å; C298-R300 PolarHBondContact SG-O 3.33Å; C298-R300 VanDerWaalsContact SG-O 3.33Å; C298-R301 WeakPolarHBondContact SG-CG 3.32Å
299L87.6Confident87.6Confident70 Ų7064 Ų6437%0.36630%0.3SS..EExtended strand (participates in β ladder)trans-75.7-40.7177.6-68.2175.5000111.9M278 V290 K292 Q297M278-L299 HydrophobicContact CG-CD1 4.06Å; M278-L299 HydrophobicContact SD-CD1 4.16Å; V290-L299 PolarHBondContact O-N 3.15Å; K292-L299 HydrophobicContact CB-CD1 3.94Å; K292-L299 HydrophobicContact CB-CD2 4.3Å; K292-L299 HydrophobicContact CB-CG 4.02Å; Q297-L299 PolarHBondContact O-N 3.35Å
300R88.3Confident87.6Confident119 Ų11963.7 Ų63.745%0.44930%0.299SS..EExtended strand (participates in β ladder)trans-144141.9-175.2-63.6-66.4-179.4-125.913.1111.1K289 V290 C298 F302 L336K289-R300 WeakPolarHBondContact CA-O 3.13Å; V290-R300 HydrophobicContact CB-CB 4.17Å; V290-R300 HydrophobicContact CG2-CB 4.42Å; V290-R300 PolarHBondContact N-O 2.86Å; V290-R300 PolarHBondContact O-N 3.44Å; C298-R300 PolarHBondContact SG-O 3.33Å; C298-R300 VanDerWaalsContact SG-O 3.33Å; R300-F302 HydrophobicContact CB-CE2 4.17Å; R300-L336 PolarHBondContact NE-O 3.45Å
301R91Very high87.6Confident156 Ų15664.7 Ų64.759%0.58931%0.305SS*.EExtended strand (participates in β ladder)trans-123.9122.6175.2-61-176.5-179.6-144.51.8108.6K289 C298K289-R301 HydrophobicContact CG-CG 4.35Å; C298-R301 WeakPolarHBondContact SG-CG 3.32Å
302F89.8Confident87.5Confident8 Ų864.6 Ų64.64%0.03531%0.306CS..EExtended strand (participates in β ladder)trans-105.787.9172.4-60.4-89.5000107.9K287 I288 V290 R300 R304 A305 H334 G339K287-F302 WeakPolarHBondContact CA-O 3.43Å; I288-F302 HydrophobicContact CB-CB 4.08Å; I288-F302 HydrophobicContact CB-CD2 4.13Å; I288-F302 HydrophobicContact CB-CG 4.5Å; I288-F302 HydrophobicContact CG2-CD2 4.19Å; I288-F302 PolarHBondContact N-O 3.33Å; I288-F302 VanDerWaalsContact N-O 3.16Å; I288-F302 PolarHBondContact O-N 3.3Å; V290-F302 HydrophobicContact CG2-CE2 3.96Å; R300-F302 HydrophobicContact CB-CE2 4.17Å; F302-R304 VanDerWaalsContact C-N 3.29Å; F302-R304 PolarHBondContact O-N 2.81Å; F302-A305 HydrophobicContact CB-CB 4.05Å; F302-H334 HydrophobicContact CD1-CB 4.27Å; F302-H334 AromaticContact CD1-CD2 3.75Å; F302-H334 HydrophobicContact CE1-CB 3.72Å; F302-H334 HydrophobicContact CZ-CB 4.01Å; F302-G339 WeakPolarHBondContact CD1-O 3.34Å; F302-G339 VanDerWaalsContact CE1-CA 3.47Å; F302-G339 WeakPolarHBondContact CE1-O 3.38Å
303E82.9Confident87.7Confident105 Ų10561.4 Ų61.449%0.49129%0.292SS..THydrogen-bonded Turntrans-70.6-24.8-175-162.966.7-160.700113.1K287K287-E303 WeakPolarHBondContact CD-OE1 3.44Å; K287-E303 WeakPolarHBondContact CE-OE1 3.43Å; K287-E303 IonicContact NZ-OE1 2.7Å; K287-E303 PolarHBondContact NZ-OE1 2.82Å
304R80.6Confident88Confident229 Ų22962 Ų6286%0.86430%0.296SS*.THydrogen-bonded Turntrans-125.547.6-179.8-64.3-175.6-179.1163.20.5110.9F302F302-R304 VanDerWaalsContact C-N 3.29Å; F302-R304 PolarHBondContact O-N 2.81Å
305A83.9Confident88.4Confident1 Ų156.8 Ų56.81%0.00827%0.272CS..SBendtrans-68.2-51.3176.700000110.3G286 I288 F302 R332G286-A305 WeakPolarHBondContact O-CB 3.32Å; I288-A305 HydrophobicContact CB-CB 4.43Å; I288-A305 HydrophobicContact CD1-CB 3.58Å; I288-A305 HydrophobicContact CG1-CB 3.76Å; F302-A305 HydrophobicContact CB-CB 4.05Å; A305-R332 WeakPolarHBondContact O-CD 3.41Å; A305-R332 PolarHBondContact O-NH1 3.28Å
306H88.7Confident88.6Confident13 Ų1355.2 Ų55.26%0.0626%0.261CS..  trans-139.1164.4179.1-73.7-84.2000111.7G286 K308 V310 S324 S326 D328 T330G286-H306 PolarHBondContact O-N 2.68Å; H306-K308 WeakPolarHBondContact CB-O 3.5Å; H306-V310 HydrophobicContact CB-CG2 4.47Å; H306-S324 PolarHBondContact NE2-OG 3.46Å; H306-S326 WeakPolarHBondContact CB-OG 3.25Å; H306-S326 VanDerWaalsContact ND1-CB 3.3Å; H306-S326 WeakPolarHBondContact ND1-CB 3.3Å; H306-D328 WeakPolarHBondContact CB-OD2 3.37Å; H306-D328 IonicContact CE1-OD1 3.57Å; H306-D328 IonicContact CE1-OD2 2.81Å; H306-D328 IonicContact CG-OD2 3.69Å; H306-D328 VanDerWaalsContact ND1-CG 3.3Å; H306-D328 IonicContact ND1-OD1 3.66Å; H306-D328 PolarHBondContact ND1-OD1 2.71Å; H306-D328 IonicContact ND1-OD2 2.91Å; H306-D328 PolarHBondContact ND1-OD2 3.36Å; H306-T330 PolarHBondContact CE1-OG1 2.96Å; H306-T330 PolarHBondContact ND1-OG1 3.11Å
307S88.9Confident88.6Confident101 Ų10158.9 Ų58.971%0.70627%0.273SS*.SBendtrans-86.5-15.5176.660.10000113.4D328S307-D328 PolarHBondContact N-OD2 3.12Å; S307-D328 WeakPolarHBondContact OG-CB 3.35Å
308K91.1Very high88.3Confident99 Ų9956.8 Ų56.843%0.4327%0.267SS..SBendtrans-131.2174.6176-63.5-177.5177.3179.70109.7G286 H306 S326 F327 D328G286-K308 WeakPolarHBondContact CA-O 3.29Å; H306-K308 WeakPolarHBondContact CB-O 3.5Å; K308-S326 PolarHBondContact O-OG 3.03Å; K308-F327 HydrophobicContact CB-CB 3.89Å; K308-F327 HydrophobicContact CD-CB 4.05Å; K308-F327 WeakPolarHBondContact CD-O 3.42Å; K308-D328 HydrophobicContact CB-CB 4.29Å; K308-D328 HydrophobicContact CD-CB 4.49Å; K308-D328 HydrophobicContact CG-CB 4.37Å
309G89.4Confident87.9Confident4 Ų457 Ų574%0.04127%0.267CS..  trans-52143.1-178.900000114.7Q284 S326 F327Q284-G309 WeakPolarHBondContact O-CA 3.09Å; Q284-G309 PolarHBondContact O-N 2.79Å; G309-S326 WeakPolarHBondContact O-CA 3.46Å; G309-S326 WeakPolarHBondContact O-CB 3.35Å; G309-S326 PolarHBondContact O-OG 3.38Å; G309-F327 PolarHBondContact O-N 3.23Å; G309-F327 VanDerWaalsContact O-N 3.12Å
310V94Very high87.8Confident0 Ų055.6 Ų55.60%026%0.263CS..EExtended strand (participates in β ladder)trans-89.6115179.7-174.20000108.9L268 C269 A283 I288 H306 V313 A325L268-V310 WeakPolarHBondContact CB-O 3.49Å; C269-V310 PolarHBondContact SG-O 3.49Å; C269-V310 VanDerWaalsContact SG-O 3.33Å; A283-V310 PolarHBondContact O-N 3.1Å; I288-V310 HydrophobicContact CD1-CG1 4.24Å; I288-V310 HydrophobicContact CD1-CG2 4.33Å; I288-V310 HydrophobicContact CG1-CG1 4.27Å; I288-V310 HydrophobicContact CG1-CG2 3.91Å; H306-V310 HydrophobicContact CB-CG2 4.47Å; V310-V313 HydrophobicContact CG1-CG2 3.66Å; V310-A325 CarbonylContact C-O 3.53Å; V310-A325 WeakPolarHBondContact CA-O 3.48Å; V310-A325 VanDerWaalsContact CG1-O 3.3Å; V310-A325 WeakPolarHBondContact CG1-O 3.35Å
311T91.4Very high87.9Confident22 Ų2252.4 Ų52.414%0.13525%0.253CS..EExtended strand (participates in β ladder)trans-85.9-33-174.249.10000113C269 A325 F327 V352 N353C269-T311 WeakPolarHBondContact CB-O 3.35Å; T311-A325 PolarHBondContact N-O 3.27Å; T311-A325 VanDerWaalsContact OG1-C 3.27Å; T311-A325 PolarHBondContact OG1-O 2.95Å; T311-A325 VanDerWaalsContact OG1-O 3.13Å; T311-F327 HydrophobicContact CG2-CD1 3.49Å; T311-F327 VanDerWaalsContact CG2-CD1 3.49Å; T311-F327 HydrophobicContact CG2-CD2 4.05Å; T311-F327 HydrophobicContact CG2-CE1 3.23Å; T311-F327 HydrophobicContact CG2-CE2 3.84Å; T311-F327 HydrophobicContact CG2-CG 3.89Å; T311-F327 HydrophobicContact CG2-CZ 3.43Å; T311-F327 VanDerWaalsContact CG2-CZ 3.43Å; T311-V352 WeakPolarHBondContact CB-O 3.29Å; T311-V352 PolarHBondContact OG1-O 2.91Å; T311-N353 WeakPolarHBondContact CB-O 3.43Å
312C91.2Very high87.9Confident12 Ų1245 Ų458%0.08123%0.225CC..EExtended strand (participates in β ladder)trans-148146.5179.2-176.60000111C269 S324 A325 E354C269-C312 VanDerWaalsContact SG-CA 3.55Å; C312-S324 CarbonylContact O-C 3.57Å; C312-S324 WeakPolarHBondContact O-CA 3.37Å; C312-A325 HydrophobicContact CB-CB 4.22Å; C312-A325 PolarHBondContact O-N 3.11Å; C312-E354 HydrophobicContact CB-CG 4.36Å
313V93.6Very high88.1Confident1 Ų144.6 Ų44.61%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-131.9138.9173.2174.10000108.5C271 A280 I288 V310 L322 L323C271-V313 HydrophobicContact CB-CG1 4.39Å; C271-V313 WeakPolarHBondContact CB-O 3.43Å; A280-V313 HydrophobicContact CB-CG1 3.66Å; I288-V313 HydrophobicContact CD1-CG2 4.38Å; V310-V313 HydrophobicContact CG1-CG2 3.66Å; V313-L322 HydrophobicContact CG1-CD1 3.47Å; V313-L322 VanDerWaalsContact CG1-CD1 3.47Å; V313-L322 HydrophobicContact CG1-CD2 3.75Å; V313-L322 HydrophobicContact CG1-CG 3.7Å; V313-L323 CarbonylContact C-O 3.57Å; V313-L323 VanDerWaalsContact CA-O 3.29Å; V313-L323 WeakPolarHBondContact CA-O 3.45Å
314S92.4Very high88.6Confident15 Ų1539.6 Ų39.611%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-141.9134.8175.6-176.90000111.8L323S314-L323 PolarHBondContact N-O 3.18Å; S314-L323 WeakPolarHBondContact O-CB 3.36Å; S314-L323 PolarHBondContact O-N 3.36Å
315F91.3Very high89.2Confident14 Ų1428.7 Ų28.76%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-76.3145.2170.4-78.6-84.3000111.7C271 F272 M278 A280 V290 L322 L336C271-F315 HydrophobicContact CB-CD2 4.16Å; C271-F315 WeakPolarHBondContact O-CE2 3.42Å; F272-F315 WeakPolarHBondContact O-CD2 3.39Å; M278-F315 HydrophobicContact CB-CZ 4.22Å; A280-F315 HydrophobicContact CB-CD2 4.4Å; A280-F315 HydrophobicContact CB-CE2 3.47Å; A280-F315 VanDerWaalsContact CB-CE2 3.47Å; A280-F315 HydrophobicContact CB-CZ 3.59Å; V290-F315 HydrophobicContact CG1-CZ 4.38Å; F315-L322 HydrophobicContact CD1-CD1 3.75Å; F315-L322 HydrophobicContact CD2-CD1 4Å; F315-L322 HydrophobicContact CE1-CD1 3.79Å; F315-L322 HydrophobicContact CE2-CD1 4.04Å; F315-L322 HydrophobicContact CG-CD1 3.87Å; F315-L322 HydrophobicContact CZ-CD1 3.94Å; F315-L336 HydrophobicContact CD1-CD1 3.83Å; F315-L336 HydrophobicContact CE1-CD1 3.61Å; F315-L336 HydrophobicContact CE1-CD2 4.09Å; F315-L336 HydrophobicContact CE1-CG 4.49Å
316C88Confident89.7Confident11 Ų1128.7 Ų28.77%0.07416%0.159CC..  trans-70158.6165-173.90000110.8D318 T319 Q321 F357C316-D318 VanDerWaalsContact CB-OD1 3.29Å; C316-D318 WeakPolarHBondContact CB-OD1 3.5Å; C316-D318 PolarHBondContact O-N 3.43Å; C316-D318 PolarHBondContact SG-OD1 2.93Å; C316-T319 PolarHBondContact O-N 2.71Å; C316-Q321 HydrophobicContact CB-CB 3.98Å; C316-Q321 WeakPolarHBondContact CB-O 3.4Å; C316-Q321 PolarHBondContact N-O 3.46Å; C316-F357 HydrophobicContact CB-CD2 4.22Å; C316-F357 HydrophobicContact CB-CE2 3.86Å; C316-F357 HydrophobicContact CB-CZ 4.19Å
317K80.4Confident89.8Confident89 Ų8931.1 Ų31.139%0.38717%0.169SC..THydrogen-bonded Turntrans-55.3-37.8177.5-73.4-151.8160.3174.40113.8R274 P359R274-K317 VanDerWaalsContact CZ-CG 3.47Å; R274-K317 VanDerWaalsContact NH2-CE 3.26Å; K317-P359 WeakPolarHBondContact CD-O 3.26Å; K317-P359 VanDerWaalsContact CE-CA 3.46Å; K317-P359 WeakPolarHBondContact CE-O 3.35Å; K317-P359 PolarHBondContact NZ-O 2.89Å
318D80.4Confident89.9Confident90 Ų9027.3 Ų27.348%0.48114%0.141SC..THydrogen-bonded Turntrans-83.6-0.1-179.468.4-6.8000112.8C316 S320C316-D318 VanDerWaalsContact CB-OD1 3.29Å; C316-D318 WeakPolarHBondContact CB-OD1 3.5Å; C316-D318 PolarHBondContact O-N 3.43Å; C316-D318 PolarHBondContact SG-OD1 2.93Å; D318-S320 PolarHBondContact O-N 3.21Å; D318-S320 PolarHBondContact OD1-N 3.12Å; D318-S320 PolarHBondContact OD1-OG 3Å; D318-S320 VanDerWaalsContact OD1-OG 3.05Å; D318-S320 WeakPolarHBondContact OD2-CB 3.4Å; D318-S320 PolarHBondContact OD2-OG 2.88Å
319T81.2Confident89.8Confident38 Ų3826.3 Ų26.323%0.23314%0.138CC..SBendtrans53.216.9-174.263.70000114.3C316 L336C316-T319 PolarHBondContact O-N 2.71Å; T319-L336 WeakPolarHBondContact O-CD1 3.41Å
320S85.8Confident89.9Confident41 Ų4126.7 Ų26.729%0.28714%0.14SC..SBendtrans-87.8-26.7-178.582.10000112.1D318 L336D318-S320 PolarHBondContact O-N 3.21Å; D318-S320 PolarHBondContact OD1-N 3.12Å; D318-S320 PolarHBondContact OD1-OG 3Å; D318-S320 VanDerWaalsContact OD1-OG 3.05Å; D318-S320 WeakPolarHBondContact OD2-CB 3.4Å; D318-S320 PolarHBondContact OD2-OG 2.88Å; S320-L336 PolarHBondContact O-N 3.3Å
321Q89.7Confident89.9Confident51 Ų5126.8 Ų26.824%0.23814%0.14CC..EExtended strand (participates in β ladder)trans-125.6149.8-175.6-69.5172.924.400111.4C316 I333 H334 L342C316-Q321 HydrophobicContact CB-CB 3.98Å; C316-Q321 WeakPolarHBondContact CB-O 3.4Å; C316-Q321 PolarHBondContact N-O 3.46Å; Q321-I333 HydrophobicContact CB-CG2 3.91Å; Q321-I333 HydrophobicContact CG-CG2 4.04Å; Q321-H334 CarbonylContact C-O 3.57Å; Q321-H334 WeakPolarHBondContact CA-O 3.28Å; Q321-L342 HydrophobicContact CG-CD1 4.41Å
322L92.2Very high90Very high0 Ų027.8 Ų27.80%014%0.141CC..EExtended strand (participates in β ladder)trans-121.6125.5175.6-169.477.4000109.2A280 I288 V290 V313 F315 I333 H334A280-L322 HydrophobicContact CB-CD1 3.63Å; A280-L322 HydrophobicContact CB-CD2 3.99Å; A280-L322 HydrophobicContact CB-CG 4.47Å; I288-L322 HydrophobicContact CG2-CD2 3.68Å; V290-L322 HydrophobicContact CG2-CD2 4.45Å; V313-L322 HydrophobicContact CG1-CD1 3.47Å; V313-L322 VanDerWaalsContact CG1-CD1 3.47Å; V313-L322 HydrophobicContact CG1-CD2 3.75Å; V313-L322 HydrophobicContact CG1-CG 3.7Å; F315-L322 HydrophobicContact CD1-CD1 3.75Å; F315-L322 HydrophobicContact CD2-CD1 4Å; F315-L322 HydrophobicContact CE1-CD1 3.79Å; F315-L322 HydrophobicContact CE2-CD1 4.04Å; F315-L322 HydrophobicContact CG-CD1 3.87Å; F315-L322 HydrophobicContact CZ-CD1 3.94Å; L322-I333 CarbonylContact O-C 3.58Å; L322-I333 WeakPolarHBondContact O-CA 3.29Å; L322-H334 HydrophobicContact CB-CB 4.32Å; L322-H334 PolarHBondContact N-O 3.21Å; L322-H334 PolarHBondContact O-N 3.28Å
323L93.3Very high90.1Very high1 Ų127.2 Ų27.21%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-89.4139.2171.6-174.767.6000109.4V313 S314 I331 R332 I333 A355 F357 I364V313-L323 CarbonylContact C-O 3.57Å; V313-L323 VanDerWaalsContact CA-O 3.29Å; V313-L323 WeakPolarHBondContact CA-O 3.45Å; S314-L323 PolarHBondContact N-O 3.18Å; S314-L323 WeakPolarHBondContact O-CB 3.36Å; S314-L323 PolarHBondContact O-N 3.36Å; L323-I331 HydrophobicContact CD1-CG2 3.38Å; L323-I331 HydrophobicContact CG-CG2 4.14Å; L323-R332 WeakPolarHBondContact CA-O 3.37Å; L323-I333 HydrophobicContact CD1-CG1 3.83Å; L323-A355 HydrophobicContact CD2-CB 3.74Å; L323-A355 HydrophobicContact CG-CB 4.28Å; L323-F357 HydrophobicContact CB-CD2 4.09Å; L323-F357 HydrophobicContact CB-CE2 3.42Å; L323-F357 VanDerWaalsContact CB-CE2 3.42Å; L323-F357 HydrophobicContact CB-CZ 3.84Å; L323-F357 HydrophobicContact CD1-CZ 4.42Å; L323-F357 HydrophobicContact CD2-CD2 4.28Å; L323-F357 HydrophobicContact CD2-CE2 4.28Å; L323-F357 HydrophobicContact CG-CE2 4.37Å; L323-I364 HydrophobicContact CD1-CD1 3.65Å; L323-I364 HydrophobicContact CD1-CG1 4.31Å; L323-I364 HydrophobicContact CD1-CG2 4.28Å; L323-I364 HydrophobicContact CD2-CD1 4.48Å; L323-I364 HydrophobicContact CD2-CG1 4.25Å; L323-I364 HydrophobicContact CD2-CG2 3.71Å
324S93.7Very high90.1Very high0 Ų027.3 Ų27.30%014%0.138CC..EExtended strand (participates in β ladder)trans-134.1141.3171.759.30000111.2I288 H306 C312 I331 R332 H334I288-S324 VanDerWaalsContact CD1-CB 3.43Å; H306-S324 PolarHBondContact NE2-OG 3.46Å; C312-S324 CarbonylContact O-C 3.57Å; C312-S324 WeakPolarHBondContact O-CA 3.37Å; S324-I331 CarbonylContact O-C 3.53Å; S324-I331 WeakPolarHBondContact O-CA 3.35Å; S324-I331 WeakPolarHBondContact O-CG2 3.49Å; S324-R332 PolarHBondContact N-O 2.85Å; S324-R332 PolarHBondContact O-N 3.2Å; S324-R332 PolarHBondContact OG-O 3.33Å; S324-H334 PolarHBondContact OG-CE1 3.15Å; S324-H334 PolarHBondContact OG-ND1 3.49Å
325A93.3Very high90Very high0 Ų026.8 Ų26.80%014%0.135CC..EExtended strand (participates in β ladder)trans-117.3150.3171.800000109.5V310 T311 C312 V352 A355V310-A325 CarbonylContact C-O 3.53Å; V310-A325 WeakPolarHBondContact CA-O 3.48Å; V310-A325 VanDerWaalsContact CG1-O 3.3Å; V310-A325 WeakPolarHBondContact CG1-O 3.35Å; T311-A325 PolarHBondContact N-O 3.27Å; T311-A325 VanDerWaalsContact OG1-C 3.27Å; T311-A325 PolarHBondContact OG1-O 2.95Å; T311-A325 VanDerWaalsContact OG1-O 3.13Å; C312-A325 HydrophobicContact CB-CB 4.22Å; C312-A325 PolarHBondContact O-N 3.11Å; A325-V352 HydrophobicContact CB-CB 4.1Å; A325-V352 HydrophobicContact CB-CG1 3.69Å; A325-A355 HydrophobicContact CB-CB 3.99Å
326S93.3Very high89.7Confident0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-145.8161.6-174.9175.70000113H306 K308 G309 D328 Q329 T330 V352H306-S326 WeakPolarHBondContact CB-OG 3.25Å; H306-S326 VanDerWaalsContact ND1-CB 3.3Å; H306-S326 WeakPolarHBondContact ND1-CB 3.3Å; K308-S326 PolarHBondContact O-OG 3.03Å; G309-S326 WeakPolarHBondContact O-CA 3.46Å; G309-S326 WeakPolarHBondContact O-CB 3.35Å; G309-S326 PolarHBondContact O-OG 3.38Å; S326-D328 WeakPolarHBondContact CB-OD1 3.31Å; S326-D328 PolarHBondContact O-N 3.07Å; S326-D328 PolarHBondContact OG-N 2.9Å; S326-D328 VanDerWaalsContact OG-N 3.14Å; S326-Q329 PolarHBondContact O-N 2.89Å; S326-T330 PolarHBondContact N-O 3.36Å; S326-V352 PolarHBondContact O-N 3.24Å
327F92.1Very high89.6Confident65 Ų6535.5 Ų35.529%0.28517%0.172SC..THydrogen-bonded Turntrans-62.6-7.7165.3-61.9-50.7000113.8L268 K308 G309 T311 Q329 F351L268-F327 HydrophobicContact CD1-CE2 3.89Å; K308-F327 HydrophobicContact CB-CB 3.89Å; K308-F327 HydrophobicContact CD-CB 4.05Å; K308-F327 WeakPolarHBondContact CD-O 3.42Å; G309-F327 PolarHBondContact O-N 3.23Å; G309-F327 VanDerWaalsContact O-N 3.12Å; T311-F327 HydrophobicContact CG2-CD1 3.49Å; T311-F327 VanDerWaalsContact CG2-CD1 3.49Å; T311-F327 HydrophobicContact CG2-CD2 4.05Å; T311-F327 HydrophobicContact CG2-CE1 3.23Å; T311-F327 HydrophobicContact CG2-CE2 3.84Å; T311-F327 HydrophobicContact CG2-CG 3.89Å; T311-F327 HydrophobicContact CG2-CZ 3.43Å; T311-F327 VanDerWaalsContact CG2-CZ 3.43Å; F327-Q329 PolarHBondContact O-N 2.78Å; F327-F351 HydrophobicContact CB-CD1 4.03Å; F327-F351 HydrophobicContact CB-CE1 4.33Å; F327-F351 HydrophobicContact CB-CG 4.39Å; F327-F351 HydrophobicContact CD1-CB 3.87Å; F327-F351 HydrophobicContact CD1-CD1 4.27Å; F327-F351 AromaticContact CD1-CD2 3.99Å; F327-F351 HydrophobicContact CD1-CD2 3.99Å; F327-F351 AromaticContact CD1-CG 3.77Å; F327-F351 HydrophobicContact CD1-CG 3.77Å; F327-F351 WeakPolarHBondContact O-CD1 3.2Å; F327-F351 VanDerWaalsContact O-CE1 3.27Å; F327-F351 WeakPolarHBondContact O-CE1 2.99Å
328D89.4Confident89.7Confident21 Ų2134.6 Ų34.611%0.11218%0.177CC..THydrogen-bonded Turntrans-77.96.117275.35.4000114H306 S307 K308 S326 T330H306-D328 WeakPolarHBondContact CB-OD2 3.37Å; H306-D328 IonicContact CE1-OD1 3.57Å; H306-D328 IonicContact CE1-OD2 2.81Å; H306-D328 IonicContact CG-OD2 3.69Å; H306-D328 VanDerWaalsContact ND1-CG 3.3Å; H306-D328 IonicContact ND1-OD1 3.66Å; H306-D328 PolarHBondContact ND1-OD1 2.71Å; H306-D328 IonicContact ND1-OD2 2.91Å; H306-D328 PolarHBondContact ND1-OD2 3.36Å; S307-D328 PolarHBondContact N-OD2 3.12Å; S307-D328 WeakPolarHBondContact OG-CB 3.35Å; K308-D328 HydrophobicContact CB-CB 4.29Å; K308-D328 HydrophobicContact CD-CB 4.49Å; K308-D328 HydrophobicContact CG-CB 4.37Å; S326-D328 WeakPolarHBondContact CB-OD1 3.31Å; S326-D328 PolarHBondContact O-N 3.07Å; S326-D328 PolarHBondContact OG-N 2.9Å; S326-D328 VanDerWaalsContact OG-N 3.14Å; D328-T330 PolarHBondContact O-N 3.04Å; D328-T330 WeakPolarHBondContact OD1-CA 3.45Å; D328-T330 WeakPolarHBondContact OD1-CB 3.47Å; D328-T330 PolarHBondContact OD1-N 3.29Å; D328-T330 PolarHBondContact OD1-OG1 3.2Å; D328-T330 PolarHBondContact OD2-OG1 3.33Å
329Q90.4Very high89.6Confident78 Ų7831.6 Ų31.636%0.36417%0.168SC..SBendtrans69.27.4179.3-41.9178.7-18.700113.6S326 F327 A349 S350S326-Q329 PolarHBondContact O-N 2.89Å; F327-Q329 PolarHBondContact O-N 2.78Å; Q329-A349 PolarHBondContact NE2-O 2.93Å; Q329-S350 WeakPolarHBondContact CB-O 3.3Å; Q329-S350 WeakPolarHBondContact CG-O 3.35Å
330T91.6Very high89.8Confident12 Ų1236.7 Ų36.77%0.07419%0.186CC..EExtended strand (participates in β ladder)trans-110.3153179.978.10000111.2H306 S326 D328 R346H306-T330 PolarHBondContact CE1-OG1 2.96Å; H306-T330 PolarHBondContact ND1-OG1 3.11Å; S326-T330 PolarHBondContact N-O 3.36Å; D328-T330 PolarHBondContact O-N 3.04Å; D328-T330 WeakPolarHBondContact OD1-CA 3.45Å; D328-T330 WeakPolarHBondContact OD1-CB 3.47Å; D328-T330 PolarHBondContact OD1-N 3.29Å; D328-T330 PolarHBondContact OD1-OG1 3.2Å; D328-T330 PolarHBondContact OD2-OG1 3.33Å; T330-R346 HydrophobicContact CG2-CG 4.02Å
331I93.8Very high89.8Confident1 Ų137.8 Ų37.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-115.2136.4169.9-56.3157.8000106.2L323 S324 E344 F345 V352 A355 S366L323-I331 HydrophobicContact CD1-CG2 3.38Å; L323-I331 HydrophobicContact CG-CG2 4.14Å; S324-I331 CarbonylContact O-C 3.53Å; S324-I331 WeakPolarHBondContact O-CA 3.35Å; S324-I331 WeakPolarHBondContact O-CG2 3.49Å; I331-E344 CarbonylContact O-C 3.52Å; I331-E344 WeakPolarHBondContact O-CA 3.1Å; I331-F345 HydrophobicContact CB-CB 4.16Å; I331-F345 HydrophobicContact CB-CD2 4.35Å; I331-F345 HydrophobicContact CG2-CD2 4.34Å; I331-F345 PolarHBondContact N-O 3.16Å; I331-F345 VanDerWaalsContact N-O 3.11Å; I331-F345 WeakPolarHBondContact O-CD2 3.35Å; I331-F345 PolarHBondContact O-N 3.19Å; I331-V352 HydrophobicContact CD1-CG1 4.17Å; I331-V352 HydrophobicContact CG1-CB 4.47Å; I331-V352 HydrophobicContact CG1-CG1 3.95Å; I331-V352 HydrophobicContact CG1-CG2 4.14Å; I331-A355 HydrophobicContact CG2-CB 4.4Å; I331-S366 WeakPolarHBondContact CD1-OG 3.07Å
332R93.7Very high89.7Confident44 Ų4439.8 Ų39.817%0.16621%0.206CC..EExtended strand (participates in β ladder)trans-128.6144.7-179.2-70.3177.2179.7-163.9-6.7111.1A305 L323 S324 K343 E344A305-R332 WeakPolarHBondContact O-CD 3.41Å; A305-R332 PolarHBondContact O-NH1 3.28Å; L323-R332 WeakPolarHBondContact CA-O 3.37Å; S324-R332 PolarHBondContact N-O 2.85Å; S324-R332 PolarHBondContact O-N 3.2Å; S324-R332 PolarHBondContact OG-O 3.33Å; R332-K343 VanDerWaalsContact CA-O 3.3Å; R332-K343 WeakPolarHBondContact CA-O 3.13Å; R332-E344 HydrophobicContact CG-CB 4.24Å; R332-E344 HydrophobicContact CG-CG 4.03Å; R332-E344 IonicContact CZ-OE1 2.97Å; R332-E344 IonicContact NE-OE1 3.76Å; R332-E344 IonicContact NH2-OE1 3.85Å; R332-E344 PolarHBondContact NH2-OE1 2.84Å; R332-E344 IonicContact NH2-OE2 3.6Å
333I93.3Very high89.6Confident0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-106129.2168.7-65.7168.4000108.2Q321 L322 L323 S341 L342 K343 F345 F357 I364 V378Q321-I333 HydrophobicContact CB-CG2 3.91Å; Q321-I333 HydrophobicContact CG-CG2 4.04Å; L322-I333 CarbonylContact O-C 3.58Å; L322-I333 WeakPolarHBondContact O-CA 3.29Å; L323-I333 HydrophobicContact CD1-CG1 3.83Å; I333-S341 CarbonylContact O-C 3.56Å; I333-L342 PolarHBondContact O-N 2.9Å; I333-K343 HydrophobicContact CB-CB 4.28Å; I333-K343 HydrophobicContact CD1-CB 4.44Å; I333-K343 HydrophobicContact CD1-CD 4.39Å; I333-K343 PolarHBondContact N-O 3.42Å; I333-K343 PolarHBondContact O-N 3.13Å; I333-F345 HydrophobicContact CD1-CE2 3.5Å; I333-F345 HydrophobicContact CD1-CZ 3.62Å; I333-F345 HydrophobicContact CG1-CE2 3.76Å; I333-F345 HydrophobicContact CG1-CZ 4.38Å; I333-F357 HydrophobicContact CD1-CE1 4.49Å; I333-F357 HydrophobicContact CD1-CZ 4.5Å; I333-F357 HydrophobicContact CG1-CZ 4.42Å; I333-I364 HydrophobicContact CD1-CD1 3.73Å; I333-I364 HydrophobicContact CG1-CD1 4.19Å; I333-V378 HydrophobicContact CD1-CG1 3.98Å
334H92.2Very high89.5Confident2 Ų246 Ų461%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-111.8134.6179-62.990.5000110F302 Q321 L322 S324 K340F302-H334 HydrophobicContact CD1-CB 4.27Å; F302-H334 AromaticContact CD1-CD2 3.75Å; F302-H334 HydrophobicContact CE1-CB 3.72Å; F302-H334 HydrophobicContact CZ-CB 4.01Å; Q321-H334 CarbonylContact C-O 3.57Å; Q321-H334 WeakPolarHBondContact CA-O 3.28Å; L322-H334 HydrophobicContact CB-CB 4.32Å; L322-H334 PolarHBondContact N-O 3.21Å; L322-H334 PolarHBondContact O-N 3.28Å; S324-H334 PolarHBondContact OG-CE1 3.15Å; S324-H334 PolarHBondContact OG-ND1 3.49Å; H334-K340 WeakPolarHBondContact CA-O 3.49Å
335G90.3Very high89.4Confident5 Ų546.1 Ų46.15%0.05224%0.235CC..EExtended strand (participates in β ladder)trans-85.1122.8173.300000110.7K337 S338 G339 K340G335-K337 PolarHBondContact O-N 2.92Å; G335-S338 PolarHBondContact O-N 2.87Å; G335-G339 PolarHBondContact O-N 2.85Å; G335-K340 PolarHBondContact N-O 3.01Å
336L86.8Confident89.2Confident16 Ų1654.2 Ų54.28%0.08427%0.265CS..THydrogen-bonded Turntrans-65.5-36.3-178-81.3147.1000113V290 R300 F315 T319 S320V290-L336 HydrophobicContact CB-CD2 4.47Å; V290-L336 HydrophobicContact CG1-CD2 4.09Å; V290-L336 HydrophobicContact CG2-CD2 3.92Å; R300-L336 PolarHBondContact NE-O 3.45Å; F315-L336 HydrophobicContact CD1-CD1 3.83Å; F315-L336 HydrophobicContact CE1-CD1 3.61Å; F315-L336 HydrophobicContact CE1-CD2 4.09Å; F315-L336 HydrophobicContact CE1-CG 4.49Å; T319-L336 WeakPolarHBondContact O-CD1 3.41Å; S320-L336 PolarHBondContact O-N 3.3Å
337K84.7Confident88.7Confident191 Ų19156.4 Ų56.483%0.8329%0.288SS*.THydrogen-bonded Turntrans-69.2-44.2176.3-69.2-174.7179.1-179.90112.4G335G335-K337 PolarHBondContact O-N 2.92Å
338S81.9Confident88.5Confident71 Ų7153.9 Ų53.950%0.49728%0.277SS..THydrogen-bonded Turntrans-80.7-28.5-174.9-176.50000112.7G335 K340G335-S338 PolarHBondContact O-N 2.87Å; S338-K340 PolarHBondContact O-N 2.9Å
339G78.8Confident88.3Confident27 Ų2756.5 Ų56.528%0.27830%0.301SS..THydrogen-bonded Turntrans69.417-174.700000113.4F302 G335F302-G339 WeakPolarHBondContact CD1-O 3.34Å; F302-G339 VanDerWaalsContact CE1-CA 3.47Å; F302-G339 WeakPolarHBondContact CE1-O 3.38Å; G335-G339 PolarHBondContact O-N 2.85Å
340K85.1Confident88.3Confident144 Ų14454.3 Ų54.363%0.62630%0.295SS*.EExtended strand (participates in β ladder)trans-121.5153.5-177.7-62.8-177.7-177.5-1790111.4H334 G335 S338 L342H334-K340 WeakPolarHBondContact CA-O 3.49Å; G335-K340 PolarHBondContact N-O 3.01Å; S338-K340 PolarHBondContact O-N 2.9Å; K340-L342 PolarHBondContact O-N 2.75Å
341S86.6Confident88.2Confident64 Ų6457.5 Ų57.545%0.44831%0.308SS..EExtended strand (participates in β ladder)trans-67.1122.4166.456.10000109.3I333I333-S341 CarbonylContact O-C 3.56Å
342L88.3Confident88.1Confident93 Ų9357.5 Ų57.549%0.48731%0.308SS..EExtended strand (participates in β ladder)trans-91.6-40.9179.5-63.6174.8000111.6Q321 I333 K340Q321-L342 HydrophobicContact CG-CD1 4.41Å; I333-L342 PolarHBondContact O-N 2.9Å; K340-L342 PolarHBondContact O-N 2.75Å
343K89.9Confident87.9Confident67 Ų6756.9 Ų56.929%0.29131%0.308SS..EExtended strand (participates in β ladder)trans-140.9148.9-173.6-59.3-173.2179-159.10110.5R332 I333 F345 V378 K379 T381R332-K343 VanDerWaalsContact CA-O 3.3Å; R332-K343 WeakPolarHBondContact CA-O 3.13Å; I333-K343 HydrophobicContact CB-CB 4.28Å; I333-K343 HydrophobicContact CD1-CB 4.44Å; I333-K343 HydrophobicContact CD1-CD 4.39Å; I333-K343 PolarHBondContact N-O 3.42Å; I333-K343 PolarHBondContact O-N 3.13Å; K343-F345 HydrophobicContact CB-CE2 4.03Å; K343-F345 HydrophobicContact CB-CZ 4.45Å; K343-V378 VanDerWaalsContact CD-O 3.31Å; K343-V378 WeakPolarHBondContact CD-O 3.22Å; K343-V378 PolarHBondContact NZ-O 3.4Å; K343-K379 PolarHBondContact NZ-O 2.59Å; K343-T381 HydrophobicContact CB-CG2 3.93Å; K343-T381 HydrophobicContact CD-CG2 3.7Å; K343-T381 HydrophobicContact CG-CG2 4.12Å
344E91.6Very high87.7Confident66 Ų6658 Ų5831%0.30831%0.313SS..EExtended strand (participates in β ladder)trans-131.3131.4176.8-174.8176.3-169.600108.3I331 R332 R346I331-E344 CarbonylContact O-C 3.52Å; I331-E344 WeakPolarHBondContact O-CA 3.1Å; R332-E344 HydrophobicContact CG-CB 4.24Å; R332-E344 HydrophobicContact CG-CG 4.03Å; R332-E344 IonicContact CZ-OE1 2.97Å; R332-E344 IonicContact NE-OE1 3.76Å; R332-E344 IonicContact NH2-OE1 3.85Å; R332-E344 PolarHBondContact NH2-OE1 2.84Å; R332-E344 IonicContact NH2-OE2 3.6Å; E344-R346 VanDerWaalsContact CD-NE 3.34Å; E344-R346 VanDerWaalsContact CD-NH2 3.32Å; E344-R346 HydrophobicContact CG-CG 4.2Å; E344-R346 IonicContact OE1-CZ 3.19Å; E344-R346 VanDerWaalsContact OE1-CZ 3.29Å; E344-R346 IonicContact OE1-NE 3.74Å; E344-R346 PolarHBondContact OE1-NE 3.25Å; E344-R346 IonicContact OE1-NH2 3.78Å; E344-R346 PolarHBondContact OE1-NH2 2.94Å; E344-R346 IonicContact OE2-CZ 2.63Å; E344-R346 IonicContact OE2-NE 3.79Å; E344-R346 IonicContact OE2-NH2 2.76Å; E344-R346 PolarHBondContact OE2-NH2 2.91Å
345F90.7Very high87.7Confident2 Ų258 Ų581%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-113.5123.2178.6-53.8-105.8000107.7I331 I333 K343 I364 W376 T381I331-F345 HydrophobicContact CB-CB 4.16Å; I331-F345 HydrophobicContact CB-CD2 4.35Å; I331-F345 HydrophobicContact CG2-CD2 4.34Å; I331-F345 PolarHBondContact N-O 3.16Å; I331-F345 VanDerWaalsContact N-O 3.11Å; I331-F345 WeakPolarHBondContact O-CD2 3.35Å; I331-F345 PolarHBondContact O-N 3.19Å; I333-F345 HydrophobicContact CD1-CE2 3.5Å; I333-F345 HydrophobicContact CD1-CZ 3.62Å; I333-F345 HydrophobicContact CG1-CE2 3.76Å; I333-F345 HydrophobicContact CG1-CZ 4.38Å; K343-F345 HydrophobicContact CB-CE2 4.03Å; K343-F345 HydrophobicContact CB-CZ 4.45Å; F345-I364 HydrophobicContact CE1-CD1 4.43Å; F345-I364 HydrophobicContact CE2-CD1 4.11Å; F345-I364 HydrophobicContact CZ-CD1 3.84Å; F345-W376 HydrophobicContact CB-CD2 4.17Å; F345-W376 HydrophobicContact CB-CE3 4.05Å; F345-W376 HydrophobicContact CB-CZ3 4.25Å; F345-W376 HydrophobicContact CD1-CB 3.77Å; F345-W376 AromaticContact CD1-CD2 3.96Å; F345-W376 HydrophobicContact CD1-CD2 3.96Å; F345-W376 AromaticContact CD1-CE3 3.76Å; F345-W376 HydrophobicContact CD1-CE3 3.76Å; F345-W376 AromaticContact CD1-CG 3.99Å; F345-W376 HydrophobicContact CD1-CG 3.99Å; F345-W376 HydrophobicContact CE1-CB 3.87Å; F345-W376 HydrophobicContact CG-CD2 4.46Å; F345-W376 HydrophobicContact CG-CE3 4.39Å; F345-T381 HydrophobicContact CD1-CG2 4.27Å; F345-T381 VanDerWaalsContact CE1-CA 3.5Å; F345-T381 HydrophobicContact CE1-CG2 3.84Å; F345-T381 HydrophobicContact CE2-CG2 4.44Å; F345-T381 HydrophobicContact CZ-CG2 3.89Å
346R89Confident87.7Confident170 Ų17058.8 Ų58.864%0.64232%0.317SS*.EExtended strand (participates in β ladder)trans-124.6136.9179.3-62.7-171179.8173.55.3109.3T330 E344 W376T330-R346 HydrophobicContact CG2-CG 4.02Å; E344-R346 VanDerWaalsContact CD-NE 3.34Å; E344-R346 VanDerWaalsContact CD-NH2 3.32Å; E344-R346 HydrophobicContact CG-CG 4.2Å; E344-R346 IonicContact OE1-CZ 3.19Å; E344-R346 VanDerWaalsContact OE1-CZ 3.29Å; E344-R346 IonicContact OE1-NE 3.74Å; E344-R346 PolarHBondContact OE1-NE 3.25Å; E344-R346 IonicContact OE1-NH2 3.78Å; E344-R346 PolarHBondContact OE1-NH2 2.94Å; E344-R346 IonicContact OE2-CZ 2.63Å; E344-R346 IonicContact OE2-NE 3.79Å; E344-R346 IonicContact OE2-NH2 2.76Å; E344-R346 PolarHBondContact OE2-NH2 2.91Å; R346-W376 WeakPolarHBondContact O-CH2 3.37Å
347G82.5Confident87.8Confident46 Ų4658.7 Ų58.747%0.47432%0.316SS..  trans154.8-3.1176.100000115K374G347-K374 VanDerWaalsContact O-CE 3.29Å; G347-K374 WeakPolarHBondContact O-CE 3.44Å
348H87.1Confident87.9Confident11 Ų1149.8 Ų49.85%0.05128%0.278CS..  trans-75.5145160.7-79.1-65.4000110.3V352 S366 S368 D370H348-V352 HydrophobicContact CB-CG2 4.09Å; H348-S366 PolarHBondContact NE2-OG 2.9Å; H348-S368 VanDerWaalsContact CE1-CB 3.44Å; H348-S368 WeakPolarHBondContact CE1-CB 3.26Å; H348-S368 WeakPolarHBondContact ND1-CB 3.47Å; H348-D370 WeakPolarHBondContact CA-OD2 3.28Å; H348-D370 WeakPolarHBondContact CB-OD2 3.35Å; H348-D370 IonicContact CG-OD2 2.66Å; H348-D370 IonicContact ND1-OD1 3.72Å; H348-D370 IonicContact ND1-OD2 4Å; H348-D370 PolarHBondContact ND1-OD2 3.49Å
349A86.6Confident87.8Confident77 Ų7748.4 Ų48.464%0.63627%0.267SS*.SBendtrans-92.4-11.5-179.800000112.6Q329 D370Q329-A349 PolarHBondContact NE2-O 2.93Å; A349-D370 HydrophobicContact CB-CB 4.19Å; A349-D370 PolarHBondContact N-OD2 3.14Å
350S89.3Confident87.9Confident32 Ų3251 Ų5122%0.22428%0.275CS..SBendtrans-141.3-171.7-177.8-163.60000110.8Q329Q329-S350 WeakPolarHBondContact CB-O 3.3Å; Q329-S350 WeakPolarHBondContact CG-O 3.35Å
351F90.3Very high87.7Confident79 Ų7945.1 Ų45.135%0.34626%0.255SS..  trans-60.6132.4-177.8-58.6-26.9000112.4F327 S368 S369F327-F351 HydrophobicContact CB-CD1 4.03Å; F327-F351 HydrophobicContact CB-CE1 4.33Å; F327-F351 HydrophobicContact CB-CG 4.39Å; F327-F351 HydrophobicContact CD1-CB 3.87Å; F327-F351 HydrophobicContact CD1-CD1 4.27Å; F327-F351 AromaticContact CD1-CD2 3.99Å; F327-F351 HydrophobicContact CD1-CD2 3.99Å; F327-F351 AromaticContact CD1-CG 3.77Å; F327-F351 HydrophobicContact CD1-CG 3.77Å; F327-F351 WeakPolarHBondContact O-CD1 3.2Å; F327-F351 VanDerWaalsContact O-CE1 3.27Å; F327-F351 WeakPolarHBondContact O-CE1 2.99Å; F351-S368 CarbonylContact O-C 3.58Å; F351-S368 VanDerWaalsContact O-CA 3.28Å; F351-S368 WeakPolarHBondContact O-CA 3.33Å; F351-S368 PolarHBondContact O-OG 3.03Å; F351-S368 VanDerWaalsContact O-OG 3.13Å; F351-S369 PolarHBondContact O-N 3.23Å
352V91.3Very high87.6Confident0 Ų046.9 Ų46.90%026%0.255CS..EExtended strand (participates in β ladder)trans-86.3117.7173.6-1720000107.9T311 A325 S326 I331 H348 A367T311-V352 WeakPolarHBondContact CB-O 3.29Å; T311-V352 PolarHBondContact OG1-O 2.91Å; A325-V352 HydrophobicContact CB-CB 4.1Å; A325-V352 HydrophobicContact CB-CG1 3.69Å; S326-V352 PolarHBondContact O-N 3.24Å; I331-V352 HydrophobicContact CD1-CG1 4.17Å; I331-V352 HydrophobicContact CG1-CB 4.47Å; I331-V352 HydrophobicContact CG1-CG1 3.95Å; I331-V352 HydrophobicContact CG1-CG2 4.14Å; H348-V352 HydrophobicContact CB-CG2 4.09Å; V352-A367 CarbonylContact C-O 3.58Å; V352-A367 WeakPolarHBondContact CA-O 3.35Å; V352-A367 WeakPolarHBondContact CG1-O 3.22Å
353N89.6Confident87.6Confident32 Ų3244.8 Ų44.817%0.17124%0.243CC..EExtended strand (participates in β ladder)trans-88.1-43.5-175.1-65.3-26.7000111.2T311 A367 S369 V400 N401T311-N353 WeakPolarHBondContact CB-O 3.43Å; N353-A367 PolarHBondContact N-O 3.19Å; N353-S369 PolarHBondContact ND2-OG 3.23Å; N353-S369 PolarHBondContact OD1-OG 3.13Å; N353-V400 PolarHBondContact ND2-O 2.68Å; N353-N401 WeakPolarHBondContact CB-O 3.49Å
354E89.5Confident87.7Confident22 Ų2241.7 Ų41.710%0.10323%0.23CC..EExtended strand (participates in β ladder)trans-141.5146.6-179.7-163.4170.8-165.500111.7C312 S366 A367 N402 V403C312-E354 HydrophobicContact CB-CG 4.36Å; E354-S366 WeakPolarHBondContact O-CA 3.49Å; E354-A367 PolarHBondContact N-O 3.32Å; E354-A367 PolarHBondContact O-N 3.21Å; E354-N402 WeakPolarHBondContact OE2-CA 3.32Å; E354-N402 WeakPolarHBondContact OE2-CB 3.07Å; E354-N402 PolarHBondContact OE2-OD1 3.34Å; E354-V403 PolarHBondContact OE2-N 2.92Å
355A91.6Very high87.6Confident2 Ų238.5 Ų38.52%0.01722%0.215CC..EExtended strand (participates in β ladder)trans-143.9135.3171.700000111.4L323 A325 I331 I364 I365L323-A355 HydrophobicContact CD2-CB 3.74Å; L323-A355 HydrophobicContact CG-CB 4.28Å; A325-A355 HydrophobicContact CB-CB 3.99Å; I331-A355 HydrophobicContact CG2-CB 4.4Å; A355-I364 HydrophobicContact CB-CG2 4.49Å; A355-I365 CarbonylContact C-O 3.45Å; A355-I365 VanDerWaalsContact CA-O 3.32Å; A355-I365 WeakPolarHBondContact CA-O 3.49Å
356T90.3Very high87.6Confident22 Ų2238.4 Ų38.414%0.13522%0.215CC..EExtended strand (participates in β ladder)trans-136.8143.5-175.8-94.30000111.1I364 I365 L405T356-I364 WeakPolarHBondContact O-CA 3.41Å; T356-I365 PolarHBondContact N-O 3.43Å; T356-I365 PolarHBondContact O-N 3.1Å; T356-L405 HydrophobicContact CG2-CD1 3.31Å; T356-L405 HydrophobicContact CG2-CG 3.76Å
357F89.5Confident87.7Confident15 Ų1530.3 Ų30.37%0.06618%0.184CC..EExtended strand (participates in β ladder)trans-75.9135.7170.8-78-72.1000111.3C316 L323 I333 I364 V378 L405C316-F357 HydrophobicContact CB-CD2 4.22Å; C316-F357 HydrophobicContact CB-CE2 3.86Å; C316-F357 HydrophobicContact CB-CZ 4.19Å; L323-F357 HydrophobicContact CB-CD2 4.09Å; L323-F357 HydrophobicContact CB-CE2 3.42Å; L323-F357 VanDerWaalsContact CB-CE2 3.42Å; L323-F357 HydrophobicContact CB-CZ 3.84Å; L323-F357 HydrophobicContact CD1-CZ 4.42Å; L323-F357 HydrophobicContact CD2-CD2 4.28Å; L323-F357 HydrophobicContact CD2-CE2 4.28Å; L323-F357 HydrophobicContact CG-CE2 4.37Å; I333-F357 HydrophobicContact CD1-CE1 4.49Å; I333-F357 HydrophobicContact CD1-CZ 4.5Å; I333-F357 HydrophobicContact CG1-CZ 4.42Å; F357-I364 HydrophobicContact CD1-CD1 4.26Å; F357-I364 HydrophobicContact CD1-CG1 3.6Å; F357-I364 HydrophobicContact CE1-CD1 3.76Å; F357-I364 HydrophobicContact CE1-CG1 3.64Å; F357-I364 HydrophobicContact CG-CG1 4.47Å; F357-I364 HydrophobicContact CZ-CD1 4.42Å; F357-V378 HydrophobicContact CD1-CG2 4.34Å; F357-V378 HydrophobicContact CE1-CG2 4.08Å; F357-L405 WeakPolarHBondContact O-CD1 3.47Å
358T86.9Confident88.1Confident4 Ų428.1 Ų28.13%0.02516%0.161CC..  trans-66157.2168.249.40000111.4D360 G361 H363 I365 M427T358-D360 VanDerWaalsContact CB-OD1 3.25Å; T358-D360 WeakPolarHBondContact CB-OD1 3.46Å; T358-D360 PolarHBondContact O-N 2.79Å; T358-D360 PolarHBondContact OG1-OD1 2.96Å; T358-G361 PolarHBondContact O-N 3.13Å; T358-H363 HydrophobicContact CG2-CB 3.83Å; T358-H363 PolarHBondContact N-O 3.18Å; T358-H363 VanDerWaalsContact OG1-C 3.31Å; T358-H363 WeakPolarHBondContact OG1-CA 3.49Å; T358-H363 WeakPolarHBondContact OG1-CB 3.48Å; T358-H363 PolarHBondContact OG1-N 3.03Å; T358-H363 VanDerWaalsContact OG1-N 3.09Å; T358-H363 PolarHBondContact OG1-O 3.35Å; T358-I365 HydrophobicContact CG2-CD1 4.01Å; T358-I365 HydrophobicContact CG2-CG1 3.83Å; T358-M427 HydrophobicContact CG2-CE 4.01Å
359P80.1Confident88Confident42 Ų4228.9 Ų28.927%0.27317%0.168SC..THydrogen-bonded Turntrans-67.7-22.2-175.9-25.440.6000113.3K317 G361 L405 P410K317-P359 WeakPolarHBondContact CD-O 3.26Å; K317-P359 VanDerWaalsContact CE-CA 3.46Å; K317-P359 WeakPolarHBondContact CE-O 3.35Å; K317-P359 PolarHBondContact NZ-O 2.89Å; P359-G361 PolarHBondContact O-N 3.48Å; P359-L405 HydrophobicContact CG-CD1 4.17Å; P359-P410 HydrophobicContact CB-CB 4.11Å; P359-P410 HydrophobicContact CG-CB 3.69Å
360D80.6Confident87.9Confident82 Ų8226.2 Ų26.244%0.43914%0.143SC..THydrogen-bonded Turntrans-72.3-16.5171.6608.7000113.1T358 H362T358-D360 VanDerWaalsContact CB-OD1 3.25Å; T358-D360 WeakPolarHBondContact CB-OD1 3.46Å; T358-D360 PolarHBondContact O-N 2.79Å; T358-D360 PolarHBondContact OG1-OD1 2.96Å; D360-H362 PolarHBondContact O-N 3.12Å; D360-H362 PolarHBondContact OD1-N 3.39Å
361G80.5Confident87.6Confident20 Ų2025.1 Ų25.121%0.20614%0.136CC..SBendtrans69.29.8-174.200000114.1T358 P359T358-G361 PolarHBondContact O-N 3.13Å; P359-G361 PolarHBondContact O-N 3.48Å
362H85Confident87.5Confident100 Ų10022 Ų2246%0.46312%0.124SC..SBendtrans-96.6-23.1-179-67.2-27.5000112.7D360 V378D360-H362 PolarHBondContact O-N 3.12Å; D360-H362 PolarHBondContact OD1-N 3.39Å; H362-V378 WeakPolarHBondContact O-CB 3.45Å; H362-V378 WeakPolarHBondContact O-CG2 3.36Å; H362-V378 PolarHBondContact O-N 2.9Å
363H88.8Confident87.4Confident50 Ų5022 Ų2223%0.23112%0.124CC..EExtended strand (participates in β ladder)trans-124157.5-178.1-58.8-25.6000112T358 V375 W376 M427T358-H363 HydrophobicContact CG2-CB 3.83Å; T358-H363 PolarHBondContact N-O 3.18Å; T358-H363 VanDerWaalsContact OG1-C 3.31Å; T358-H363 WeakPolarHBondContact OG1-CA 3.49Å; T358-H363 WeakPolarHBondContact OG1-CB 3.48Å; T358-H363 PolarHBondContact OG1-N 3.03Å; T358-H363 VanDerWaalsContact OG1-N 3.09Å; T358-H363 PolarHBondContact OG1-O 3.35Å; H363-V375 HydrophobicContact CB-CG1 4Å; H363-W376 CarbonylContact C-O 3.58Å; H363-W376 WeakPolarHBondContact CA-O 3.41Å; H363-M427 HydrophobicContact CB-CE 4.45Å
364I90.4Very high87.4Confident1 Ų121.8 Ų21.81%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-124.3134171.5-69.3158.5000107.2L323 I333 F345 A355 T356 F357 V375 W376 V378L323-I364 HydrophobicContact CD1-CD1 3.65Å; L323-I364 HydrophobicContact CD1-CG1 4.31Å; L323-I364 HydrophobicContact CD1-CG2 4.28Å; L323-I364 HydrophobicContact CD2-CD1 4.48Å; L323-I364 HydrophobicContact CD2-CG1 4.25Å; L323-I364 HydrophobicContact CD2-CG2 3.71Å; I333-I364 HydrophobicContact CD1-CD1 3.73Å; I333-I364 HydrophobicContact CG1-CD1 4.19Å; F345-I364 HydrophobicContact CE1-CD1 4.43Å; F345-I364 HydrophobicContact CE2-CD1 4.11Å; F345-I364 HydrophobicContact CZ-CD1 3.84Å; A355-I364 HydrophobicContact CB-CG2 4.49Å; T356-I364 WeakPolarHBondContact O-CA 3.41Å; F357-I364 HydrophobicContact CD1-CD1 4.26Å; F357-I364 HydrophobicContact CD1-CG1 3.6Å; F357-I364 HydrophobicContact CE1-CD1 3.76Å; F357-I364 HydrophobicContact CE1-CG1 3.64Å; F357-I364 HydrophobicContact CG-CG1 4.47Å; F357-I364 HydrophobicContact CZ-CD1 4.42Å; I364-V375 CarbonylContact O-C 3.47Å; I364-V375 WeakPolarHBondContact O-CA 3.2Å; I364-W376 HydrophobicContact CB-CB 4.31Å; I364-W376 PolarHBondContact N-O 2.85Å; I364-W376 PolarHBondContact O-N 3.12Å; I364-V378 HydrophobicContact CD1-CG2 3.72Å; I364-V378 HydrophobicContact CG1-CG2 3.73Å
365I90.8Very high87.5Confident0 Ų021 Ų210%012%0.118CC..EExtended strand (participates in β ladder)trans-105130.8171.4-45-175.3000107.8A355 T356 T358 V373 K374 V375 V403 L405 F413 M427A355-I365 CarbonylContact C-O 3.45Å; A355-I365 VanDerWaalsContact CA-O 3.32Å; A355-I365 WeakPolarHBondContact CA-O 3.49Å; T356-I365 PolarHBondContact N-O 3.43Å; T356-I365 PolarHBondContact O-N 3.1Å; T358-I365 HydrophobicContact CG2-CD1 4.01Å; T358-I365 HydrophobicContact CG2-CG1 3.83Å; I365-V373 HydrophobicContact CG2-CG1 3.47Å; I365-V373 VanDerWaalsContact CG2-CG1 3.47Å; I365-K374 WeakPolarHBondContact CA-O 3.39Å; I365-V375 HydrophobicContact CG1-CG2 4.34Å; I365-V375 HydrophobicContact CG2-CG2 4.45Å; I365-V403 HydrophobicContact CB-CG1 4.17Å; I365-V403 HydrophobicContact CG2-CG1 3.69Å; I365-L405 HydrophobicContact CD1-CD2 3.64Å; I365-F413 HydrophobicContact CD1-CB 4.18Å; I365-F413 HydrophobicContact CD1-CD1 3.93Å; I365-F413 HydrophobicContact CD1-CE1 4.49Å; I365-F413 HydrophobicContact CD1-CG 4.01Å; I365-M427 HydrophobicContact CD1-SD 3.67Å; I365-M427 HydrophobicContact CG1-SD 4.42Å
366S91Very high87.5Confident0 Ų021.1 Ų21.10%012%0.118CC..EExtended strand (participates in β ladder)trans-127.2139.4177.7600000112.1I331 H348 E354 V373 K374 W376I331-S366 WeakPolarHBondContact CD1-OG 3.07Å; H348-S366 PolarHBondContact NE2-OG 2.9Å; E354-S366 WeakPolarHBondContact O-CA 3.49Å; S366-V373 CarbonylContact O-C 3.48Å; S366-V373 VanDerWaalsContact O-CA 3.27Å; S366-V373 WeakPolarHBondContact O-CA 3.27Å; S366-V373 WeakPolarHBondContact O-CG1 3.43Å; S366-K374 PolarHBondContact N-O 3.5Å; S366-K374 PolarHBondContact O-N 3.02Å; S366-K374 PolarHBondContact OG-O 2.86Å; S366-W376 PolarHBondContact OG-NE1 3.24Å
367A90.1Very high87.5Confident0 Ų022 Ų220%012%0.121CC..EExtended strand (participates in β ladder)trans-108.6138.6173.600000110.8V352 N353 E354 V400 V403V352-A367 CarbonylContact C-O 3.58Å; V352-A367 WeakPolarHBondContact CA-O 3.35Å; V352-A367 WeakPolarHBondContact CG1-O 3.22Å; N353-A367 PolarHBondContact N-O 3.19Å; E354-A367 PolarHBondContact N-O 3.32Å; E354-A367 PolarHBondContact O-N 3.21Å; A367-V400 HydrophobicContact CB-CB 4.02Å; A367-V400 HydrophobicContact CB-CG1 3.52Å; A367-V403 HydrophobicContact CB-CB 4.19Å; A367-V403 HydrophobicContact CB-CG2 3.31Å
368S90.1Very high87.4Confident0 Ų021.9 Ų21.90%012%0.122CC..EExtended strand (participates in β ladder)trans-133.2155-177.31730000112.1H348 F351 D370 G371 T372 V400H348-S368 VanDerWaalsContact CE1-CB 3.44Å; H348-S368 WeakPolarHBondContact CE1-CB 3.26Å; H348-S368 WeakPolarHBondContact ND1-CB 3.47Å; F351-S368 CarbonylContact O-C 3.58Å; F351-S368 VanDerWaalsContact O-CA 3.28Å; F351-S368 WeakPolarHBondContact O-CA 3.33Å; F351-S368 PolarHBondContact O-OG 3.03Å; F351-S368 VanDerWaalsContact O-OG 3.13Å; S368-D370 VanDerWaalsContact CB-OD1 3.26Å; S368-D370 WeakPolarHBondContact CB-OD1 3.13Å; S368-D370 PolarHBondContact O-N 2.99Å; S368-D370 PolarHBondContact OG-N 3.48Å; S368-D370 VanDerWaalsContact OG-N 3.16Å; S368-D370 PolarHBondContact OG-OD1 2.88Å; S368-D370 PolarHBondContact OG-OD2 3.02Å; S368-G371 PolarHBondContact O-N 2.83Å; S368-T372 PolarHBondContact N-O 2.95Å; S368-V400 WeakPolarHBondContact O-CB 3.44Å; S368-V400 PolarHBondContact O-N 3.24Å; S368-V400 VanDerWaalsContact O-N 3.13Å
369S87Confident87.3Confident26 Ų2629.2 Ų29.218%0.18215%0.154CC..THydrogen-bonded Turntrans-67.7-6.3170.8-61.70000112.9F351 N353 G371F351-S369 PolarHBondContact O-N 3.23Å; N353-S369 PolarHBondContact ND2-OG 3.23Å; N353-S369 PolarHBondContact OD1-OG 3.13Å; S369-G371 PolarHBondContact O-N 3.04Å
370D84Confident87.6Confident22 Ų2230.4 Ų30.412%0.11816%0.16CC..THydrogen-bonded Turntrans-76.42.5170.662.926000113.5H348 A349 S368 T372H348-D370 WeakPolarHBondContact CA-OD2 3.28Å; H348-D370 WeakPolarHBondContact CB-OD2 3.35Å; H348-D370 IonicContact CG-OD2 2.66Å; H348-D370 IonicContact ND1-OD1 3.72Å; H348-D370 IonicContact ND1-OD2 4Å; H348-D370 PolarHBondContact ND1-OD2 3.49Å; A349-D370 HydrophobicContact CB-CB 4.19Å; A349-D370 PolarHBondContact N-OD2 3.14Å; S368-D370 VanDerWaalsContact CB-OD1 3.26Å; S368-D370 WeakPolarHBondContact CB-OD1 3.13Å; S368-D370 PolarHBondContact O-N 2.99Å; S368-D370 PolarHBondContact OG-N 3.48Å; S368-D370 VanDerWaalsContact OG-N 3.16Å; S368-D370 PolarHBondContact OG-OD1 2.88Å; S368-D370 PolarHBondContact OG-OD2 3.02Å; D370-T372 VanDerWaalsContact C-N 3.25Å; D370-T372 VanDerWaalsContact CG-OG1 3.31Å; D370-T372 PolarHBondContact O-N 3.4Å; D370-T372 WeakPolarHBondContact OD1-CA 3.5Å; D370-T372 VanDerWaalsContact OD1-CB 3.28Å; D370-T372 WeakPolarHBondContact OD1-CB 3.38Å; D370-T372 PolarHBondContact OD1-N 2.79Å; D370-T372 PolarHBondContact OD1-OG1 2.94Å
371G82.4Confident87.8Confident8 Ų829 Ų298%0.08216%0.155CC..SBendtrans77.97.9-179.500000114.5S368 S369 I398S368-G371 PolarHBondContact O-N 2.83Å; S369-G371 PolarHBondContact O-N 3.04Å; G371-I398 WeakPolarHBondContact CA-O 3.19Å
372T87.4Confident88.1Confident13 Ų1334.2 Ų34.28%0.0817%0.174CC..  trans-111.3144179.274.70000112.3S368 D370 T386 F387 K388S368-T372 PolarHBondContact N-O 2.95Å; D370-T372 VanDerWaalsContact C-N 3.25Å; D370-T372 VanDerWaalsContact CG-OG1 3.31Å; D370-T372 PolarHBondContact O-N 3.4Å; D370-T372 WeakPolarHBondContact OD1-CA 3.5Å; D370-T372 VanDerWaalsContact OD1-CB 3.28Å; D370-T372 WeakPolarHBondContact OD1-CB 3.38Å; D370-T372 PolarHBondContact OD1-N 2.79Å; D370-T372 PolarHBondContact OD1-OG1 2.94Å; T372-T386 HydrophobicContact CG2-CG2 4.11Å; T372-F387 WeakPolarHBondContact CA-O 3.32Å; T372-K388 HydrophobicContact CG2-CG 4.17Å
373V89.5Confident88.2Confident0 Ų031.8 Ų31.80%017%0.167CC..EExtended strand (participates in β ladder)trans-106.1125.7165179.90000107.7I365 S366 F387 V400 V403 F413 V415I365-V373 HydrophobicContact CG2-CG1 3.47Å; I365-V373 VanDerWaalsContact CG2-CG1 3.47Å; S366-V373 CarbonylContact O-C 3.48Å; S366-V373 VanDerWaalsContact O-CA 3.27Å; S366-V373 WeakPolarHBondContact O-CA 3.27Å; S366-V373 WeakPolarHBondContact O-CG1 3.43Å; V373-F387 HydrophobicContact CB-CB 4.42Å; V373-F387 PolarHBondContact N-O 3.34Å; V373-F387 PolarHBondContact O-N 2.83Å; V373-V400 HydrophobicContact CG2-CG1 3.95Å; V373-V400 HydrophobicContact CG2-CG2 4.21Å; V373-V403 HydrophobicContact CG1-CG2 4.22Å; V373-V403 HydrophobicContact CG2-CG2 4.12Å; V373-F413 HydrophobicContact CG1-CE2 3.9Å; V373-F413 HydrophobicContact CG1-CZ 4.45Å; V373-V415 HydrophobicContact CG2-CG1 3.87Å; V373-V415 HydrophobicContact CG2-CG2 4.21Å
374K90.5Very high88.1Confident29 Ų2932.6 Ų32.613%0.12618%0.179CC..EExtended strand (participates in β ladder)trans-113.6141.8-179.9-71-179.8-179-80.90110.7G347 I365 S366 W376 S385 T386G347-K374 VanDerWaalsContact O-CE 3.29Å; G347-K374 WeakPolarHBondContact O-CE 3.44Å; I365-K374 WeakPolarHBondContact CA-O 3.39Å; S366-K374 PolarHBondContact N-O 3.5Å; S366-K374 PolarHBondContact O-N 3.02Å; S366-K374 PolarHBondContact OG-O 2.86Å; K374-W376 HydrophobicContact CB-CZ2 4.07Å; K374-W376 HydrophobicContact CD-CH2 4.26Å; K374-W376 HydrophobicContact CD-CZ2 3.6Å; K374-W376 HydrophobicContact CG-CZ2 4.48Å; K374-S385 WeakPolarHBondContact CA-O 3.4Å; K374-T386 HydrophobicContact CG-CG2 4.03Å; K374-T386 PolarHBondContact NZ-OG1 3.13Å
375V90.8Very high87.7Confident4 Ų434.6 Ų34.62%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-107.4123.5171-179.90000108.2H363 I364 I365 C383 S384 S385 F387 M427H363-V375 HydrophobicContact CB-CG1 4Å; I364-V375 CarbonylContact O-C 3.47Å; I364-V375 WeakPolarHBondContact O-CA 3.2Å; I365-V375 HydrophobicContact CG1-CG2 4.34Å; I365-V375 HydrophobicContact CG2-CG2 4.45Å; V375-C383 CarbonylContact O-C 3.59Å; V375-S384 PolarHBondContact O-N 3.13Å; V375-S385 PolarHBondContact N-O 3.29Å; V375-S385 PolarHBondContact O-N 3.2Å; V375-F387 HydrophobicContact CG2-CD2 4.29Å; V375-F387 HydrophobicContact CG2-CE2 3.51Å; V375-F387 HydrophobicContact CG2-CZ 4.33Å; V375-M427 HydrophobicContact CG1-CE 3.78Å; V375-M427 HydrophobicContact CG2-CE 4.25Å; V375-M427 HydrophobicContact CG2-SD 4.45Å
376W91.5Very high87.6Confident6 Ų637.8 Ų37.82%0.02321%0.212CC..EExtended strand (participates in β ladder)trans-111.6141.1-177.1-55.787.9000110.6F345 R346 H363 I364 S366 K374 E382 C383F345-W376 HydrophobicContact CB-CD2 4.17Å; F345-W376 HydrophobicContact CB-CE3 4.05Å; F345-W376 HydrophobicContact CB-CZ3 4.25Å; F345-W376 HydrophobicContact CD1-CB 3.77Å; F345-W376 AromaticContact CD1-CD2 3.96Å; F345-W376 HydrophobicContact CD1-CD2 3.96Å; F345-W376 AromaticContact CD1-CE3 3.76Å; F345-W376 HydrophobicContact CD1-CE3 3.76Å; F345-W376 AromaticContact CD1-CG 3.99Å; F345-W376 HydrophobicContact CD1-CG 3.99Å; F345-W376 HydrophobicContact CE1-CB 3.87Å; F345-W376 HydrophobicContact CG-CD2 4.46Å; F345-W376 HydrophobicContact CG-CE3 4.39Å; R346-W376 WeakPolarHBondContact O-CH2 3.37Å; H363-W376 CarbonylContact C-O 3.58Å; H363-W376 WeakPolarHBondContact CA-O 3.41Å; I364-W376 HydrophobicContact CB-CB 4.31Å; I364-W376 PolarHBondContact N-O 2.85Å; I364-W376 PolarHBondContact O-N 3.12Å; S366-W376 PolarHBondContact OG-NE1 3.24Å; K374-W376 HydrophobicContact CB-CZ2 4.07Å; K374-W376 HydrophobicContact CD-CH2 4.26Å; K374-W376 HydrophobicContact CD-CZ2 3.6Å; K374-W376 HydrophobicContact CG-CZ2 4.48Å; W376-E382 WeakPolarHBondContact CA-O 3.29Å; W376-C383 HydrophobicContact CD2-CB 4.35Å; W376-C383 HydrophobicContact CE3-CB 3.8Å; W376-C383 HydrophobicContact CH2-CB 3.98Å; W376-C383 HydrophobicContact CZ3-CB 3.61Å
377N90.4Very high87.2Confident39 Ų3938.6 Ų38.621%0.20922%0.216CC..EExtended strand (participates in β ladder)trans-83.8122.4169.7-171.8-43.1000110K379 T380 T381 E382N377-K379 PolarHBondContact O-N 2.83Å; N377-K379 PolarHBondContact OD1-N 3.24Å; N377-T380 WeakPolarHBondContact CB-OG1 3.4Å; N377-T381 WeakPolarHBondContact O-CA 3.33Å; N377-T381 PolarHBondContact O-N 2.93Å; N377-E382 PolarHBondContact N-O 2.9Å
378V87.3Confident86.8Confident14 Ų1444.5 Ų44.59%0.08524%0.241CC..THydrogen-bonded Turntrans-60.8-33.6-177.5175.30000111.7I333 K343 F357 H362 I364I333-V378 HydrophobicContact CD1-CG1 3.98Å; K343-V378 VanDerWaalsContact CD-O 3.31Å; K343-V378 WeakPolarHBondContact CD-O 3.22Å; K343-V378 PolarHBondContact NZ-O 3.4Å; F357-V378 HydrophobicContact CD1-CG2 4.34Å; F357-V378 HydrophobicContact CE1-CG2 4.08Å; H362-V378 WeakPolarHBondContact O-CB 3.45Å; H362-V378 WeakPolarHBondContact O-CG2 3.36Å; H362-V378 PolarHBondContact O-N 2.9Å; I364-V378 HydrophobicContact CD1-CG2 3.72Å; I364-V378 HydrophobicContact CG1-CG2 3.73Å
379K85.9Confident85.6Confident158 Ų15844.6 Ų44.669%0.68724%0.242SC*.THydrogen-bonded Turntrans-76.6-54.1-177.4-72.1-175.4-178.5175.50111.8K343 N377K343-K379 PolarHBondContact NZ-O 2.59Å; N377-K379 PolarHBondContact O-N 2.83Å; N377-K379 PolarHBondContact OD1-N 3.24Å
380T84.9Confident84.5Confident67 Ų6745.9 Ų45.941%0.41125%0.247SC..THydrogen-bonded Turntrans-85.8-14-172.963.90000113.6N377 E382N377-T380 WeakPolarHBondContact CB-OG1 3.4Å; T380-E382 PolarHBondContact O-N 2.9Å
381T85.4Confident83Confident52 Ų5248.5 Ų48.532%0.31928%0.279SS..  trans63.29.8-174.460.50000115.5K343 F345 N377K343-T381 HydrophobicContact CB-CG2 3.93Å; K343-T381 HydrophobicContact CD-CG2 3.7Å; K343-T381 HydrophobicContact CG-CG2 4.12Å; F345-T381 HydrophobicContact CD1-CG2 4.27Å; F345-T381 VanDerWaalsContact CE1-CA 3.5Å; F345-T381 HydrophobicContact CE1-CG2 3.84Å; F345-T381 HydrophobicContact CE2-CG2 4.44Å; F345-T381 HydrophobicContact CZ-CG2 3.89Å; N377-T381 WeakPolarHBondContact O-CA 3.33Å; N377-T381 PolarHBondContact O-N 2.93Å
382E87.5Confident81.3Confident130 Ų13051.5 Ų51.561%0.60730%0.296SS*.  trans-89.2148.6-179.5-66.9168.616800111.3W376 N377 T380 S384W376-E382 WeakPolarHBondContact CA-O 3.29Å; N377-E382 PolarHBondContact N-O 2.9Å; T380-E382 PolarHBondContact O-N 2.9Å; E382-S384 PolarHBondContact O-N 2.8Å
383C86.9Confident79.2Confident48 Ų4857.1 Ų57.132%0.32434%0.335SS..EExtended strand (participates in β ladder)trans-74.6110171.7178.50000108.6V375 W376 S385 T386V375-C383 CarbonylContact O-C 3.59Å; W376-C383 HydrophobicContact CD2-CB 4.35Å; W376-C383 HydrophobicContact CE3-CB 3.8Å; W376-C383 HydrophobicContact CH2-CB 3.98Å; W376-C383 HydrophobicContact CZ3-CB 3.61Å; C383-S385 PolarHBondContact SG-O 2.9Å; C383-T386 PolarHBondContact SG-OG1 2.91Å; C383-T386 VanDerWaalsContact SG-OG1 3.34Å
384S85.2Confident77.1Confident67 Ų6760.2 Ų60.247%0.46936%0.361SS..EExtended strand (participates in β ladder)trans-75.4-43.9177.6-56.20000111.7V375 E382V375-S384 PolarHBondContact O-N 3.13Å; E382-S384 PolarHBondContact O-N 2.8Å
385S83.7Confident75Confident43 Ų4363.2 Ų63.230%0.30140%0.4SS..EExtended strand (participates in β ladder)trans-143.6143.7-177.2-57.90000111.1K374 V375 C383K374-S385 WeakPolarHBondContact CA-O 3.4Å; V375-S385 PolarHBondContact N-O 3.29Å; V375-S385 PolarHBondContact O-N 3.2Å; C383-S385 PolarHBondContact SG-O 2.9Å
386T87.3Confident73.4Confident67 Ų6767.8 Ų67.841%0.41143%0.428SS..EExtended strand (participates in β ladder)trans-121126.9170.9-59.40000108.6T372 K374 C383T372-T386 HydrophobicContact CG2-CG2 4.11Å; K374-T386 HydrophobicContact CG-CG2 4.03Å; K374-T386 PolarHBondContact NZ-OG1 3.13Å; C383-T386 PolarHBondContact SG-OG1 2.91Å; C383-T386 VanDerWaalsContact SG-OG1 3.34Å
387F83.3Confident72Confident17 Ų1772.2 Ų72.28%0.07545%0.453CS..EExtended strand (participates in β ladder)trans-115.3142.1-179.5-51.5-54000110.4T372 V373 V375 F413 M427 G429T372-F387 WeakPolarHBondContact CA-O 3.32Å; V373-F387 HydrophobicContact CB-CB 4.42Å; V373-F387 PolarHBondContact N-O 3.34Å; V373-F387 PolarHBondContact O-N 2.83Å; V375-F387 HydrophobicContact CG2-CD2 4.29Å; V375-F387 HydrophobicContact CG2-CE2 3.51Å; V375-F387 HydrophobicContact CG2-CZ 4.33Å; F387-F413 AromaticContact CD2-CZ 3.77Å; F387-F413 HydrophobicContact CD2-CZ 3.77Å; F387-F413 HydrophobicContact CE2-CE1 4.32Å; F387-F413 AromaticContact CE2-CZ 3.99Å; F387-F413 HydrophobicContact CE2-CZ 3.99Å; F387-M427 WeakPolarHBondContact CZ-O 3.43Å; F387-G429 VanDerWaalsContact CE1-N 3.28Å
388K81.6Confident71.1Confident124 Ų12473 Ų7354%0.53946%0.456SS..  trans-114.7104.9168.1-70.3-167.6173.8-157.60107.5T372 L390 D397T372-K388 HydrophobicContact CG2-CG 4.17Å; K388-L390 PolarHBondContact O-N 3.04Å; K388-L390 VanDerWaalsContact O-N 3.16Å; K388-D397 IonicContact NZ-OD1 3.5Å
389P65Low70.6Confident3 Ų374.2 Ų74.22%0.01946%0.463CS..SBendtrans-61-23.1-172.313.5-23.9000114.6V400 V415 N417 M425 I431P389-V400 HydrophobicContact CG-CG2 4.11Å; P389-V415 HydrophobicContact CB-CG1 4.35Å; P389-V415 HydrophobicContact CG-CG1 4.14Å; P389-N417 WeakPolarHBondContact CG-ND2 3.43Å; P389-N417 WeakPolarHBondContact CG-OD1 3.19Å; P389-M425 HydrophobicContact CB-CE 3.61Å; P389-M425 HydrophobicContact CB-SD 3.97Å; P389-M425 HydrophobicContact CG-CE 4.29Å; P389-I431 WeakPolarHBondContact O-CD1 3.4Å
390L63.6Low70.4Confident53 Ų5366.7 Ų66.728%0.27743%0.431SS..SBendtrans-133.4128.4176-67.3166.5000108.8K388 T392 I398 N417K388-L390 PolarHBondContact O-N 3.04Å; K388-L390 VanDerWaalsContact O-N 3.16Å; L390-T392 PolarHBondContact O-N 2.95Å; L390-I398 HydrophobicContact CD1-CD1 3.91Å; L390-N417 WeakPolarHBondContact CD1-ND2 3.42Å
391G53.2Low70.2Confident77 Ų7764.9 Ų64.979%0.79442%0.419SS*.  trans-69.1109.3170.300000109.2S393G391-S393 PolarHBondContact O-N 3.44Å; G391-S393 VanDerWaalsContact O-N 3.1Å
392T46.3Very low70Confident71 Ų7164.1 Ų64.144%0.43641%0.413SS..  trans-63.6106.9176.344.10000110.3L390 A394L390-T392 PolarHBondContact O-N 2.95Å; T392-A394 VanDerWaalsContact C-N 3.32Å
393S42.5Very low69.7Low130 Ų13058 Ų5891%0.90938%0.384SS*.SBendtrans-88.20.4159.748.20000112.8G391G391-S393 PolarHBondContact O-N 3.44Å; G391-S393 VanDerWaalsContact O-N 3.1Å
394A46.9Very low69.5Low65 Ų6557.2 Ų57.254%0.53738%0.376SS..SBendtrans-137.2132.417200000108.6T392 T396T392-A394 VanDerWaalsContact C-N 3.32Å; A394-T396 PolarHBondContact O-N 2.48Å
395G45.2Very low69.4Low92 Ų9255.5 Ų55.595%0.94836%0.362SS*.SBendtrans-69.843.7-168.700000116.6
396T56.8Low69.2Low100 Ų10054.4 Ų54.461%0.61335%0.353SS*.  trans-120.7110.4169.947.20000108.3A394 I398A394-T396 PolarHBondContact O-N 2.48Å; T396-I398 PolarHBondContact O-N 3.09Å
397D62.4Low68.5Low100 Ų10054.8 Ų54.854%0.53536%0.356SS..PPolyproline II helixtrans-63.6121.5173.3-71-48000109K388K388-D397 IonicContact NZ-OD1 3.5Å
398I72.3Confident68Low56 Ų5659.7 Ų59.729%0.28738%0.378SS..PPolyproline II helixtrans-83.5125.1-177.7-57.2170000108.3G371 L390 T396 N417 R418G371-I398 WeakPolarHBondContact CA-O 3.19Å; L390-I398 HydrophobicContact CD1-CD1 3.91Å; T396-I398 PolarHBondContact O-N 3.09Å; I398-N417 HydrophobicContact CG2-CB 3.91Å; I398-R418 WeakPolarHBondContact CG2-O 3.34Å
399T77.4Confident67.8Low38 Ų3857.7 Ų57.723%0.23337%0.373CS..PPolyproline II helixtrans-64.8137.9-177.864.60000111.5N401 N417 R418T399-N401 PolarHBondContact OG1-OD1 2.6Å; T399-N417 CarbonylContact O-C 3.59Å; T399-N417 WeakPolarHBondContact O-CA 3.4Å; T399-R418 PolarHBondContact O-N 2.93Å; T399-R418 WeakPolarHBondContact OG1-CB 3.34Å
400V80.8Confident68.3Low0 Ų060.5 Ų60.50%039%0.391CS..EExtended strand (participates in β ladder)trans-94.6117.9173.1-171.40000109N353 A367 S368 V373 P389 V403 V415N353-V400 PolarHBondContact ND2-O 2.68Å; A367-V400 HydrophobicContact CB-CB 4.02Å; A367-V400 HydrophobicContact CB-CG1 3.52Å; S368-V400 WeakPolarHBondContact O-CB 3.44Å; S368-V400 PolarHBondContact O-N 3.24Å; S368-V400 VanDerWaalsContact O-N 3.13Å; V373-V400 HydrophobicContact CG2-CG1 3.95Å; V373-V400 HydrophobicContact CG2-CG2 4.21Å; P389-V400 HydrophobicContact CG-CG2 4.11Å; V400-V403 HydrophobicContact CG1-CG2 4.4Å; V400-V415 HydrophobicContact CG1-CG1 3.33Å
401N80.3Confident69Low29 Ų2963 Ų6316%0.15540%0.401CS..EExtended strand (participates in β ladder)trans-90.5-49.4-173.5-66.9-14.5000111.8N353 T399 C416 F445 V446N353-N401 WeakPolarHBondContact CB-O 3.49Å; T399-N401 PolarHBondContact OG1-OD1 2.6Å; N401-C416 PolarHBondContact N-O 2.54Å; N401-F445 PolarHBondContact ND2-O 2.9Å; N401-F445 VanDerWaalsContact ND2-O 3.14Å; N401-V446 WeakPolarHBondContact CB-O 3.41Å; N401-V446 PolarHBondContact ND2-O 3.29Å
402N81.4Confident70.6Confident36 Ų3661.4 Ų61.419%0.19337%0.373CS..EExtended strand (participates in β ladder)trans-136148.4-175.5-72.5-85.7000112.8E354 C416 V446 C447E354-N402 WeakPolarHBondContact OE2-CA 3.32Å; E354-N402 WeakPolarHBondContact OE2-CB 3.07Å; E354-N402 PolarHBondContact OE2-OD1 3.34Å; N402-C416 HydrophobicContact CB-CB 4.13Å; N402-C416 PolarHBondContact N-O 3.25Å; N402-C416 PolarHBondContact O-N 2.86Å; N402-V446 PolarHBondContact ND2-O 3.5Å; N402-C447 WeakPolarHBondContact ND2-CA 3.46Å
403V82.1Confident72.5Confident1 Ų158 Ų581%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-132.4119.5173.8169.30000109.7E354 I365 A367 V373 V400 F413 V414 V415E354-V403 PolarHBondContact OE2-N 2.92Å; I365-V403 HydrophobicContact CB-CG1 4.17Å; I365-V403 HydrophobicContact CG2-CG1 3.69Å; A367-V403 HydrophobicContact CB-CB 4.19Å; A367-V403 HydrophobicContact CB-CG2 3.31Å; V373-V403 HydrophobicContact CG1-CG2 4.22Å; V373-V403 HydrophobicContact CG2-CG2 4.12Å; V400-V403 HydrophobicContact CG1-CG2 4.4Å; V403-F413 HydrophobicContact CG1-CD2 4.18Å; V403-V414 WeakPolarHBondContact CA-O 3.34Å; V403-V415 HydrophobicContact CG2-CG1 4.35Å; V403-V415 HydrophobicContact CG2-CG2 4.17Å
404L83.1Confident74.6Confident32 Ų3251.9 Ų51.917%0.16831%0.309CS..EExtended strand (participates in β ladder)trans-123.3136.5-179.5-57.9174.3000111.1F413 V414 C448 L450L404-F413 CarbonylContact O-C 3.57Å; L404-F413 VanDerWaalsContact O-CA 3.28Å; L404-F413 WeakPolarHBondContact O-CA 3.42Å; L404-V414 HydrophobicContact CB-CB 4.45Å; L404-V414 PolarHBondContact N-O 3.44Å; L404-V414 PolarHBondContact O-N 3.33Å; L404-C448 HydrophobicContact CD1-CB 4.37Å; L404-C448 WeakPolarHBondContact CD1-O 3.41Å; L404-C448 WeakPolarHBondContact CD1-SG 3.27Å; L404-L450 HydrophobicContact CB-CD1 3.67Å; L404-L450 HydrophobicContact CB-CG 4.32Å; L404-L450 HydrophobicContact CD1-CD1 4.27Å; L404-L450 HydrophobicContact CD1-CG 4.03Å
405L82.3Confident76.4Confident32 Ų3248.8 Ų48.817%0.16828%0.284CS..EExtended strand (participates in β ladder)trans-80.8139.9173.3-67.7166.5000110.8T356 F357 P359 I365 P407 F413 L450T356-L405 HydrophobicContact CG2-CD1 3.31Å; T356-L405 HydrophobicContact CG2-CG 3.76Å; F357-L405 WeakPolarHBondContact O-CD1 3.47Å; P359-L405 HydrophobicContact CG-CD1 4.17Å; I365-L405 HydrophobicContact CD1-CD2 3.64Å; L405-P407 WeakPolarHBondContact O-CD 3.48Å; L405-F413 HydrophobicContact CD2-CB 4.14Å; L405-L450 VanDerWaalsContact O-CD1 3.27Å; L405-L450 WeakPolarHBondContact O-CD1 3.44Å
406L79.4Confident78.3Confident19 Ų1944.4 Ų44.410%0.09924%0.238CC..  trans-74.3125.8173.6-73.9-178.5000110.7K408 N409 H412 V414 I424 L450L406-K408 VanDerWaalsContact C-N 3.3Å; L406-K408 PolarHBondContact O-N 3.34Å; L406-N409 CarbonylContact O-C 3.58Å; L406-N409 PolarHBondContact O-N 2.78Å; L406-H412 HydrophobicContact CB-CB 4.46Å; L406-H412 HydrophobicContact CD1-CB 3.68Å; L406-H412 HydrophobicContact CG-CB 4.34Å; L406-H412 PolarHBondContact N-O 2.99Å; L406-V414 HydrophobicContact CD2-CG2 3.58Å; L406-V414 HydrophobicContact CG-CG2 3.95Å; L406-I424 HydrophobicContact CD1-CD1 4.4Å; L406-I424 HydrophobicContact CD1-CG2 3.96Å; L406-L450 HydrophobicContact CD2-CD1 3.85Å; L406-L450 HydrophobicContact CD2-CD2 3.74Å; L406-L450 HydrophobicContact CD2-CG 4.45Å
407P73.6Confident79.4Confident76 Ų7639.7 Ų39.749%0.49421%0.21SC..SBendtrans-59.4-36.4-179.5-26.934.7000114.2L405 P452L405-P407 WeakPolarHBondContact O-CD 3.48Å; P407-P452 WeakPolarHBondContact CB-O 3.36Å; P407-P452 WeakPolarHBondContact CG-O 3.25Å
408K71.9Confident80.1Confident119 Ų11941.3 Ų41.352%0.51721%0.208SC..SBendtrans-74.6-34.3-179.4-80.4176.7177.7170.40113.2L406 R453 E455L406-K408 VanDerWaalsContact C-N 3.3Å; L406-K408 PolarHBondContact O-N 3.34Å; K408-R453 WeakPolarHBondContact CD-O 3.45Å; K408-R453 WeakPolarHBondContact CE-O 3.21Å; K408-R453 VanDerWaalsContact CG-O 3.29Å; K408-R453 WeakPolarHBondContact CG-O 3.17Å; K408-E455 VanDerWaalsContact NZ-CG 3.34Å; K408-E455 IonicContact NZ-OE1 2.75Å; K408-E455 PolarHBondContact NZ-OE1 2.89Å
409N78Confident80.4Confident83 Ų8339.1 Ų39.144%0.44420%0.198SC..  trans-134.6104.7-171.9-72.4-27.6000110.3L406 E411 H412L406-N409 CarbonylContact O-C 3.58Å; L406-N409 PolarHBondContact O-N 2.78Å; N409-E411 PolarHBondContact O-N 2.88Å; N409-H412 HydrophobicContact CB-CB 4.32Å; N409-H412 PolarHBondContact O-N 2.89Å; N409-H412 VanDerWaalsContact O-N 3.1Å
410P74.6Confident80.5Confident61 Ų6139.6 Ų39.640%0.39620%0.199SC..THydrogen-bonded Turntrans-67.7-19-177.829.9-36.5000113.2P359 H412P359-P410 HydrophobicContact CB-CB 4.11Å; P359-P410 HydrophobicContact CG-CB 3.69Å; P410-H412 VanDerWaalsContact C-N 3.26Å; P410-H412 PolarHBondContact O-N 2.94Å
411E78.8Confident80.5Confident106 Ų10640.8 Ų40.850%0.49521%0.206SC..THydrogen-bonded Turntrans-75.2-14.9176.3-62.4-59.9134.200112.7N409 N426 M427N409-E411 PolarHBondContact O-N 2.88Å; E411-N426 CarbonylContact O-C 3.48Å; E411-N426 WeakPolarHBondContact O-CA 3.42Å; E411-N426 PolarHBondContact O-OD1 2.78Å; E411-M427 WeakPolarHBondContact O-CG 3.44Å; E411-M427 PolarHBondContact O-N 2.64Å
412H86.2Confident80.8Confident44 Ų4439.4 Ų39.420%0.20420%0.199CC..EExtended strand (participates in β ladder)trans-114.3138.7-176.9-65.5177.9000111L406 N409 P410 I424 M425L406-H412 HydrophobicContact CB-CB 4.46Å; L406-H412 HydrophobicContact CD1-CB 3.68Å; L406-H412 HydrophobicContact CG-CB 4.34Å; L406-H412 PolarHBondContact N-O 2.99Å; N409-H412 HydrophobicContact CB-CB 4.32Å; N409-H412 PolarHBondContact O-N 2.89Å; N409-H412 VanDerWaalsContact O-N 3.1Å; P410-H412 VanDerWaalsContact C-N 3.26Å; P410-H412 PolarHBondContact O-N 2.94Å; H412-I424 HydrophobicContact CB-CG2 4.22Å; H412-M425 CarbonylContact C-O 3.53Å; H412-M425 VanDerWaalsContact CA-O 3.32Å; H412-M425 WeakPolarHBondContact CA-O 3.48Å
413F86.8Confident81Confident0 Ų037.8 Ų37.80%019%0.19CC..EExtended strand (participates in β ladder)trans-133.6146.6176.561.1-85.2000110.7I365 V373 F387 V403 L404 L405 V415 I424 M425 N426 M427I365-F413 HydrophobicContact CD1-CB 4.18Å; I365-F413 HydrophobicContact CD1-CD1 3.93Å; I365-F413 HydrophobicContact CD1-CE1 4.49Å; I365-F413 HydrophobicContact CD1-CG 4.01Å; V373-F413 HydrophobicContact CG1-CE2 3.9Å; V373-F413 HydrophobicContact CG1-CZ 4.45Å; F387-F413 AromaticContact CD2-CZ 3.77Å; F387-F413 HydrophobicContact CD2-CZ 3.77Å; F387-F413 HydrophobicContact CE2-CE1 4.32Å; F387-F413 AromaticContact CE2-CZ 3.99Å; F387-F413 HydrophobicContact CE2-CZ 3.99Å; V403-F413 HydrophobicContact CG1-CD2 4.18Å; L404-F413 CarbonylContact O-C 3.57Å; L404-F413 VanDerWaalsContact O-CA 3.28Å; L404-F413 WeakPolarHBondContact O-CA 3.42Å; L405-F413 HydrophobicContact CD2-CB 4.14Å; F413-V415 HydrophobicContact CD2-CG2 3.39Å; F413-V415 HydrophobicContact CE2-CG2 3.41Å; F413-V415 VanDerWaalsContact CE2-CG2 3.41Å; F413-I424 WeakPolarHBondContact O-CA 3.38Å; F413-M425 HydrophobicContact CE1-CB 4.23Å; F413-M425 HydrophobicContact CE2-CB 4.03Å; F413-M425 HydrophobicContact CE2-CE 3.69Å; F413-M425 HydrophobicContact CZ-CB 3.82Å; F413-M425 HydrophobicContact CZ-CE 4.14Å; F413-M425 PolarHBondContact N-O 2.79Å; F413-M425 PolarHBondContact O-N 2.74Å; F413-N426 WeakPolarHBondContact CE1-O 3.48Å; F413-M427 HydrophobicContact CD1-SD 4.08Å; F413-M427 HydrophobicContact CE1-SD 4.12Å
414V86.6Confident81.3Confident0 Ų037.9 Ų37.90%019%0.191CC..EExtended strand (participates in β ladder)trans-96131.4178-174.30000108.1V403 L404 L406 V422 V423 I424 L450 I457V403-V414 WeakPolarHBondContact CA-O 3.34Å; L404-V414 HydrophobicContact CB-CB 4.45Å; L404-V414 PolarHBondContact N-O 3.44Å; L404-V414 PolarHBondContact O-N 3.33Å; L406-V414 HydrophobicContact CD2-CG2 3.58Å; L406-V414 HydrophobicContact CG-CG2 3.95Å; V414-V422 HydrophobicContact CG1-CG1 3.38Å; V414-V423 CarbonylContact C-O 3.58Å; V414-V423 WeakPolarHBondContact CA-O 3.46Å; V414-I424 HydrophobicContact CG2-CG1 3.99Å; V414-L450 HydrophobicContact CG2-CD1 4.14Å; V414-L450 HydrophobicContact CG2-CD2 3.91Å; V414-L450 HydrophobicContact CG2-CG 4.48Å; V414-I457 HydrophobicContact CG1-CD1 4.22Å; V414-I457 HydrophobicContact CG1-CG2 4.49Å; V414-I457 HydrophobicContact CG2-CD1 4.35Å
415V85.1Confident81.4Confident0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-119.2124.2178.5-173.40000108.9V373 P389 V400 V403 F413 N417 V423 M425V373-V415 HydrophobicContact CG2-CG1 3.87Å; V373-V415 HydrophobicContact CG2-CG2 4.21Å; P389-V415 HydrophobicContact CB-CG1 4.35Å; P389-V415 HydrophobicContact CG-CG1 4.14Å; V400-V415 HydrophobicContact CG1-CG1 3.33Å; V403-V415 HydrophobicContact CG2-CG1 4.35Å; V403-V415 HydrophobicContact CG2-CG2 4.17Å; F413-V415 HydrophobicContact CD2-CG2 3.39Å; F413-V415 HydrophobicContact CE2-CG2 3.41Å; F413-V415 VanDerWaalsContact CE2-CG2 3.41Å; V415-N417 WeakPolarHBondContact CG1-OD1 3.39Å; V415-V423 PolarHBondContact N-O 3.3Å; V415-V423 PolarHBondContact O-N 2.98Å; V415-M425 HydrophobicContact CB-CE 3.89Å; V415-M425 HydrophobicContact CG1-CE 4.35Å; V415-M425 HydrophobicContact CG2-CE 3.28Å
416C83.9Confident81.7Confident0 Ų036 Ų360%018%0.181CC..EExtended strand (participates in β ladder)trans-104.6116173.7-172.90000108.5N401 N402 V422 F445 C448N401-C416 PolarHBondContact N-O 2.54Å; N402-C416 HydrophobicContact CB-CB 4.13Å; N402-C416 PolarHBondContact N-O 3.25Å; N402-C416 PolarHBondContact O-N 2.86Å; C416-V422 HydrophobicContact CB-CG2 4.46Å; C416-F445 WeakPolarHBondContact SG-CB 3.45Å; C416-C448 HydrophobicContact CB-CB 4.02Å; C416-C448 WeakPolarHBondContact CB-SG 3.24Å
417N80.8Confident81.8Confident2 Ų236.5 Ų36.51%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-96.7161.9173.7-62.4-10.4000109P389 L390 I398 T399 V415 S419P389-N417 WeakPolarHBondContact CG-ND2 3.43Å; P389-N417 WeakPolarHBondContact CG-OD1 3.19Å; L390-N417 WeakPolarHBondContact CD1-ND2 3.42Å; I398-N417 HydrophobicContact CG2-CB 3.91Å; T399-N417 CarbonylContact O-C 3.59Å; T399-N417 WeakPolarHBondContact O-CA 3.4Å; V415-N417 WeakPolarHBondContact CG1-OD1 3.39Å; N417-S419 PolarHBondContact O-N 2.66Å
418R77.1Confident82.1Confident134 Ų13439.4 Ų39.451%0.50619%0.19SC..SBendtrans-73.163.1163.9-165.7176.6-171.2147.24.3109.9I398 T399 D444 E462I398-R418 WeakPolarHBondContact CG2-O 3.34Å; T399-R418 PolarHBondContact O-N 2.93Å; T399-R418 WeakPolarHBondContact OG1-CB 3.34Å; R418-D444 HydrophobicContact CG-CB 4.18Å; R418-E462 IonicContact CZ-OE1 2.9Å; R418-E462 VanDerWaalsContact CZ-OE1 3.32Å; R418-E462 IonicContact NE-OE1 3.66Å; R418-E462 PolarHBondContact NE-OE1 3.5Å; R418-E462 IonicContact NH2-OE1 3.54Å; R418-E462 PolarHBondContact NH2-OE1 3.23Å
419S78.8Confident82.3Confident10 Ų1035 Ų357%0.0718%0.178CC..SBendtrans-144.5168.8172.667.70000108.2N417 T421 D444 F445N417-S419 PolarHBondContact O-N 2.66Å; S419-T421 PolarHBondContact O-N 2.55Å; S419-T421 PolarHBondContact OG-N 2.92Å; S419-T421 PolarHBondContact OG-O 2.92Å; S419-T421 PolarHBondContact OG-OG1 3.49Å; S419-D444 VanDerWaalsContact CA-OD1 3.31Å; S419-D444 WeakPolarHBondContact CA-OD1 3.43Å; S419-F445 VanDerWaalsContact O-CD2 3.24Å; S419-F445 WeakPolarHBondContact O-CD2 3.09Å; S419-F445 PolarHBondContact O-N 2.71Å
420N78.4Confident82.5Confident47 Ų4737 Ų3725%0.25119%0.185SC..SBendtrans-70.713.7172.666.4-11.3000114.4S436 S437 K439 G443 D444 F445N420-S436 VanDerWaalsContact O-CA 3.31Å; N420-S436 WeakPolarHBondContact O-CA 3.37Å; N420-S437 PolarHBondContact O-N 2.54Å; N420-S437 VanDerWaalsContact O-N 3.1Å; N420-K439 PolarHBondContact ND2-O 3.05Å; N420-G443 WeakPolarHBondContact CA-O 3.09Å; N420-D444 PolarHBondContact N-OD1 3.45Å; N420-F445 VanDerWaalsContact O-CE2 3.25Å; N420-F445 WeakPolarHBondContact O-CE2 3.28Å
421T81.8Confident83Confident26 Ų2638.1 Ų38.116%0.1619%0.187CC..EExtended strand (participates in β ladder)trans-129.3133-177.260.90000113.3S419 F435S419-T421 PolarHBondContact O-N 2.55Å; S419-T421 PolarHBondContact OG-N 2.92Å; S419-T421 PolarHBondContact OG-O 2.92Å; S419-T421 PolarHBondContact OG-OG1 3.49Å; T421-F435 CarbonylContact C-O 3.6Å; T421-F435 WeakPolarHBondContact CA-O 3.49Å
422V85.7Confident83.2Confident0 Ų036.1 Ų36.10%018%0.181CC..EExtended strand (participates in β ladder)trans-108.4139.2167.7175.90000109.5V414 C416 S434 F435 F445 C459V414-V422 HydrophobicContact CG1-CG1 3.38Å; C416-V422 HydrophobicContact CB-CG2 4.46Å; V422-S434 CarbonylContact O-C 3.58Å; V422-S434 WeakPolarHBondContact O-CA 3.46Å; V422-F435 PolarHBondContact N-O 2.97Å; V422-F435 PolarHBondContact O-N 2.87Å; V422-F445 HydrophobicContact CG2-CD2 3.41Å; V422-F445 VanDerWaalsContact CG2-CD2 3.41Å; V422-F445 HydrophobicContact CG2-CE2 3.72Å; V422-F445 HydrophobicContact CG2-CG 4.07Å; V422-C459 HydrophobicContact CG2-CB 4.45Å; V422-C459 WeakPolarHBondContact CG2-SG 3.28Å
423V87.1Confident83.1Confident1 Ų139.8 Ų39.81%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-125.4135.9-172.2-172.90000110.4V414 V415 M425 I431 R433V414-V423 CarbonylContact C-O 3.58Å; V414-V423 WeakPolarHBondContact CA-O 3.46Å; V415-V423 PolarHBondContact N-O 3.3Å; V415-V423 PolarHBondContact O-N 2.98Å; V423-M425 HydrophobicContact CG1-CG 3.85Å; V423-I431 HydrophobicContact CG1-CB 4.04Å; V423-I431 HydrophobicContact CG1-CD1 4.26Å; V423-I431 HydrophobicContact CG1-CG1 3.82Å; V423-I431 HydrophobicContact CG1-CG2 3.32Å; V423-R433 WeakPolarHBondContact CA-O 3.32Å
424I87.4Confident83Confident4 Ų443.8 Ų43.82%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-95.5122.2166.4-61.5172.7000107.7L406 H412 F413 V414 V432 R433 F435 I457L406-I424 HydrophobicContact CD1-CD1 4.4Å; L406-I424 HydrophobicContact CD1-CG2 3.96Å; H412-I424 HydrophobicContact CB-CG2 4.22Å; F413-I424 WeakPolarHBondContact O-CA 3.38Å; V414-I424 HydrophobicContact CG2-CG1 3.99Å; I424-V432 HydrophobicContact CG2-CB 4.27Å; I424-V432 PolarHBondContact O-N 2.74Å; I424-R433 HydrophobicContact CD1-CB 4.47Å; I424-R433 PolarHBondContact N-O 2.74Å; I424-R433 PolarHBondContact O-N 3.23Å; I424-F435 HydrophobicContact CD1-CE2 3.53Å; I424-F435 HydrophobicContact CD1-CZ 3.87Å; I424-F435 HydrophobicContact CG1-CE2 3.79Å; I424-I457 HydrophobicContact CD1-CD1 4.15Å; I424-I457 HydrophobicContact CG1-CD1 4.31Å
425M86.1Confident82.9Confident1 Ų144 Ų441%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-117.7153.4177-66.3-167.3-7200111.5P389 H412 F413 V415 V423 Q430 I431P389-M425 HydrophobicContact CB-CE 3.61Å; P389-M425 HydrophobicContact CB-SD 3.97Å; P389-M425 HydrophobicContact CG-CE 4.29Å; H412-M425 CarbonylContact C-O 3.53Å; H412-M425 VanDerWaalsContact CA-O 3.32Å; H412-M425 WeakPolarHBondContact CA-O 3.48Å; F413-M425 HydrophobicContact CE1-CB 4.23Å; F413-M425 HydrophobicContact CE2-CB 4.03Å; F413-M425 HydrophobicContact CE2-CE 3.69Å; F413-M425 HydrophobicContact CZ-CB 3.82Å; F413-M425 HydrophobicContact CZ-CE 4.14Å; F413-M425 PolarHBondContact N-O 2.79Å; F413-M425 PolarHBondContact O-N 2.74Å; V415-M425 HydrophobicContact CB-CE 3.89Å; V415-M425 HydrophobicContact CG1-CE 4.35Å; V415-M425 HydrophobicContact CG2-CE 3.28Å; V423-M425 HydrophobicContact CG1-CG 3.85Å; M425-Q430 CarbonylContact C-O 3.6Å; M425-Q430 VanDerWaalsContact CA-O 3.27Å; M425-Q430 WeakPolarHBondContact CA-O 3.14Å; M425-I431 HydrophobicContact CG-CG1 4.08Å; M425-I431 HydrophobicContact SD-CG1 4.23Å
426N86.7Confident82.8Confident23 Ų2347.1 Ų47.112%0.12325%0.245CC..EExtended strand (participates in β ladder)trans-88.6160.8170.1-169.62.9000110.4E411 F413 Q428 G429 Q430 V432E411-N426 CarbonylContact O-C 3.48Å; E411-N426 WeakPolarHBondContact O-CA 3.42Å; E411-N426 PolarHBondContact O-OD1 2.78Å; F413-N426 WeakPolarHBondContact CE1-O 3.48Å; N426-Q428 PolarHBondContact O-N 3.3Å; N426-G429 PolarHBondContact O-N 2.92Å; N426-Q430 PolarHBondContact N-O 2.81Å; N426-V432 HydrophobicContact CB-CG2 4.31Å
427M81.8Confident82.2Confident29 Ų2947.8 Ų47.814%0.14325%0.249CC..THydrogen-bonded Turntrans-57.8-10.1171.6-71.6-62.7-78.300114.2T358 H363 I365 V375 F387 E411 F413T358-M427 HydrophobicContact CG2-CE 4.01Å; H363-M427 HydrophobicContact CB-CE 4.45Å; I365-M427 HydrophobicContact CD1-SD 3.67Å; I365-M427 HydrophobicContact CG1-SD 4.42Å; V375-M427 HydrophobicContact CG1-CE 3.78Å; V375-M427 HydrophobicContact CG2-CE 4.25Å; V375-M427 HydrophobicContact CG2-SD 4.45Å; F387-M427 WeakPolarHBondContact CZ-O 3.43Å; E411-M427 WeakPolarHBondContact O-CG 3.44Å; E411-M427 PolarHBondContact O-N 2.64Å; F413-M427 HydrophobicContact CD1-SD 4.08Å; F413-M427 HydrophobicContact CE1-SD 4.12Å
428Q80.2Confident81.5Confident138 Ų13850.7 Ų50.765%0.64528%0.28SS*.THydrogen-bonded Turntrans-92.4-3.3172.7-63.6168.6-1.200113.2N426N426-Q428 PolarHBondContact O-N 3.3Å
429G75.9Confident81.2Confident25 Ų2548.7 Ų48.726%0.25827%0.274SS..SBendtrans86.95178.500000115.7F387 N426F387-G429 VanDerWaalsContact CE1-N 3.28Å; N426-G429 PolarHBondContact O-N 2.92Å
430Q83.3Confident80.1Confident125 Ų12560.1 Ų60.158%0.58432%0.316SS*.  trans-81.8136.1176.9-65.6179.2-6.400110.8M425 N426 V432M425-Q430 CarbonylContact C-O 3.6Å; M425-Q430 VanDerWaalsContact CA-O 3.27Å; M425-Q430 WeakPolarHBondContact CA-O 3.14Å; N426-Q430 PolarHBondContact N-O 2.81Å; Q430-V432 PolarHBondContact O-N 2.81Å
431I84Confident79.2Confident86 Ų8666.4 Ų66.444%0.44134%0.344SS..EExtended strand (participates in β ladder)trans-78.1112.7173.9-60.5171.6000108.5P389 V423 M425P389-I431 WeakPolarHBondContact O-CD1 3.4Å; V423-I431 HydrophobicContact CG1-CB 4.04Å; V423-I431 HydrophobicContact CG1-CD1 4.26Å; V423-I431 HydrophobicContact CG1-CG1 3.82Å; V423-I431 HydrophobicContact CG1-CG2 3.32Å; M425-I431 HydrophobicContact CG-CG1 4.08Å; M425-I431 HydrophobicContact SD-CG1 4.23Å
432V84.3Confident78.1Confident63 Ų6367.5 Ų67.538%0.38236%0.36SS..EExtended strand (participates in β ladder)trans-80.8-45178.5-178.90000110.2I424 N426 Q430I424-V432 HydrophobicContact CG2-CB 4.27Å; I424-V432 PolarHBondContact O-N 2.74Å; N426-V432 HydrophobicContact CB-CG2 4.31Å; Q430-V432 PolarHBondContact O-N 2.81Å
433R83.1Confident77.1Confident121 Ų12167.5 Ų67.546%0.45736%0.361SS..EExtended strand (participates in β ladder)trans-151.2148.3-179.3-83.6-168.6-93.3-89.86.4111.2V423 I424 F435 T471V423-R433 WeakPolarHBondContact CA-O 3.32Å; I424-R433 HydrophobicContact CD1-CB 4.47Å; I424-R433 PolarHBondContact N-O 2.74Å; I424-R433 PolarHBondContact O-N 3.23Å; R433-F435 HydrophobicContact CB-CE2 4.06Å; R433-F435 HydrophobicContact CB-CZ 4.33Å; R433-T471 PolarHBondContact NE-O 2.85Å
434S85.5Confident76.7Confident85 Ų8569.9 Ų69.959%0.59437%0.373SS*.EExtended strand (participates in β ladder)trans-123.7135.3172.858.50000110.3V422V422-S434 CarbonylContact O-C 3.58Å; V422-S434 WeakPolarHBondContact O-CA 3.46Å
435F83.9Confident76.4Confident3 Ų369.8 Ų69.81%0.01337%0.373CS..EExtended strand (participates in β ladder)trans-113.8134.6177.2-57.1-93.9000107.7T421 V422 I424 R433 I457 F469 S470T421-F435 CarbonylContact C-O 3.6Å; T421-F435 WeakPolarHBondContact CA-O 3.49Å; V422-F435 PolarHBondContact N-O 2.97Å; V422-F435 PolarHBondContact O-N 2.87Å; I424-F435 HydrophobicContact CD1-CE2 3.53Å; I424-F435 HydrophobicContact CD1-CZ 3.87Å; I424-F435 HydrophobicContact CG1-CE2 3.79Å; R433-F435 HydrophobicContact CB-CE2 4.06Å; R433-F435 HydrophobicContact CB-CZ 4.33Å; F435-I457 HydrophobicContact CD2-CD1 4.12Å; F435-I457 HydrophobicContact CE2-CD1 3.77Å; F435-I457 HydrophobicContact CZ-CD1 4.04Å; F435-F469 HydrophobicContact CB-CD1 3.94Å; F435-F469 HydrophobicContact CB-CD2 4.37Å; F435-F469 HydrophobicContact CB-CE1 4.03Å; F435-F469 HydrophobicContact CB-CE2 4.46Å; F435-F469 HydrophobicContact CB-CG 4.11Å; F435-F469 HydrophobicContact CB-CZ 4.31Å; F435-F469 HydrophobicContact CD1-CB 3.75Å; F435-F469 AromaticContact CD1-CD1 3.9Å; F435-F469 HydrophobicContact CD1-CD1 3.9Å; F435-F469 AromaticContact CD1-CG 3.96Å; F435-F469 HydrophobicContact CD1-CG 3.96Å; F435-F469 HydrophobicContact CE1-CB 4.18Å; F435-F469 HydrophobicContact CG-CB 4.41Å; F435-F469 HydrophobicContact CG-CD1 4.35Å; F435-F469 HydrophobicContact CG-CG 4.31Å; F435-S470 WeakPolarHBondContact CE1-O 3.25Å
436S82.1Confident76Confident67 Ų6771.8 Ų71.847%0.46939%0.385SS..EExtended strand (participates in β ladder)trans-129.7144.6178.168.50000110.6N420 G438N420-S436 VanDerWaalsContact O-CA 3.31Å; N420-S436 WeakPolarHBondContact O-CA 3.37Å; S436-G438 PolarHBondContact O-N 2.94Å
437S72.1Confident75.8Confident14 Ų1471 Ų7110%0.09838%0.381CS..  trans-72.2-14.4173.560.70000112.7N420 K439N420-S437 PolarHBondContact O-N 2.54Å; N420-S437 VanDerWaalsContact O-N 3.1Å; S437-K439 PolarHBondContact O-N 3.15Å
438G66.1Low75.9Confident63 Ų6370 Ų7065%0.64938%0.377SS*.  trans75.3-1.8-178.800000114.7S436S436-G438 PolarHBondContact O-N 2.94Å
439K70.2Confident76.2Confident91 Ų9164.4 Ų64.440%0.39635%0.352SS..  trans-86.1137176.1-65.6-172.9179.8-1800110.7N420 S437 D463 Y467N420-K439 PolarHBondContact ND2-O 3.05Å; S437-K439 PolarHBondContact O-N 3.15Å; K439-D463 IonicContact NZ-OD2 2.99Å; K439-D463 PolarHBondContact NZ-OD2 3.46Å; K439-Y467 WeakPolarHBondContact CE-OH 3.43Å; K439-Y467 PolarHBondContact NZ-OH 2.69Å
440R56.8Low76.6Confident250 Ų25064 Ų6494%0.94334%0.344SS*.SBendtrans-84.5-26.4-178.1-71.2-173.8-169.8-173.62.9114
441E58.6Low76.6Confident180 Ų18058.1 Ų58.184%0.84132%0.317SS*.SBendtrans-141.4143.4179.6-69.6-178.5168.200110G443E441-G443 PolarHBondContact O-N 3Å
442G59.5Low76.3Confident48 Ų4856.2 Ų56.250%0.49531%0.31SS..SBendtrans69.927.2174.300000115.8
443G63.8Low75.8Confident1 Ų157.7 Ų57.71%0.0131%0.309CS..  trans-122.923.3-177.300000113.8N420 E441N420-G443 WeakPolarHBondContact CA-O 3.09Å; E441-G443 PolarHBondContact O-N 3Å
444D78.6Confident75.6Confident51 Ų5152.3 Ų52.327%0.27329%0.29SS..  trans-71.4134.9-176.6-69.4-16.6000110.6R418 S419 N420 G461 E462R418-D444 HydrophobicContact CG-CB 4.18Å; S419-D444 VanDerWaalsContact CA-OD1 3.31Å; S419-D444 WeakPolarHBondContact CA-OD1 3.43Å; N420-D444 PolarHBondContact N-OD1 3.45Å; D444-G461 CarbonylContact O-C 3.49Å; D444-G461 VanDerWaalsContact O-CA 3.24Å; D444-G461 WeakPolarHBondContact O-CA 3.37Å; D444-E462 HydrophobicContact CB-CG 4.46Å; D444-E462 PolarHBondContact O-N 2.77Å
445F81.9Confident75.4Confident1 Ų151.2 Ų51.20%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-79.6126.9-178.7-62.5-56.7000111.2N401 C416 S419 N420 V422 C459 V460 Y467 F469N401-F445 PolarHBondContact ND2-O 2.9Å; N401-F445 VanDerWaalsContact ND2-O 3.14Å; C416-F445 WeakPolarHBondContact SG-CB 3.45Å; S419-F445 VanDerWaalsContact O-CD2 3.24Å; S419-F445 WeakPolarHBondContact O-CD2 3.09Å; S419-F445 PolarHBondContact O-N 2.71Å; N420-F445 VanDerWaalsContact O-CE2 3.25Å; N420-F445 WeakPolarHBondContact O-CE2 3.28Å; V422-F445 HydrophobicContact CG2-CD2 3.41Å; V422-F445 VanDerWaalsContact CG2-CD2 3.41Å; V422-F445 HydrophobicContact CG2-CE2 3.72Å; V422-F445 HydrophobicContact CG2-CG 4.07Å; F445-C459 HydrophobicContact CD1-CB 3.62Å; F445-C459 HydrophobicContact CE1-CB 3.72Å; F445-C459 HydrophobicContact CG-CB 4.14Å; F445-C459 HydrophobicContact CZ-CB 4.31Å; F445-V460 WeakPolarHBondContact CA-O 3.34Å; F445-Y467 HydrophobicContact CD1-CD2 4.43Å; F445-Y467 AromaticContact CE1-CD2 3.65Å; F445-Y467 HydrophobicContact CE1-CD2 3.65Å; F445-Y467 HydrophobicContact CE1-CE2 4.14Å; F445-Y467 AromaticContact CE1-CG 3.94Å; F445-Y467 HydrophobicContact CE1-CG 3.94Å; F445-F469 HydrophobicContact CE1-CE2 4.4Å; F445-F469 AromaticContact CZ-CE2 3.87Å; F445-F469 HydrophobicContact CZ-CE2 3.87Å; F445-F469 AromaticContact CZ-CZ 3.92Å; F445-F469 HydrophobicContact CZ-CZ 3.92Å
446V78.8Confident75.5Confident44 Ų4452.4 Ų52.427%0.26728%0.28SS..EExtended strand (participates in β ladder)trans-84.5-50.5177-1790000109.4N401 N402 V460 E462N401-V446 WeakPolarHBondContact CB-O 3.41Å; N401-V446 PolarHBondContact ND2-O 3.29Å; N402-V446 PolarHBondContact ND2-O 3.5Å; V446-V460 PolarHBondContact N-O 3.29Å; V446-E462 HydrophobicContact CG2-CG 3.73Å
447C81.1Confident75.7Confident7 Ų749.2 Ų49.25%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-142.7157.8-176.357.90000112.4N402 C459 V460 G489N402-C447 WeakPolarHBondContact ND2-CA 3.46Å; C447-C459 WeakPolarHBondContact O-CA 3.38Å; C447-V460 PolarHBondContact O-N 3.28Å; C447-G489 VanDerWaalsContact SG-CA 3.57Å
448C84.9Confident76.5Confident8 Ų848.6 Ų48.65%0.05425%0.253CS..EExtended strand (participates in β ladder)trans-133156.2173.166.80000110.7L404 C416 Y458L404-C448 HydrophobicContact CD1-CB 4.37Å; L404-C448 WeakPolarHBondContact CD1-O 3.41Å; L404-C448 WeakPolarHBondContact CD1-SG 3.27Å; C416-C448 HydrophobicContact CB-CB 4.02Å; C416-C448 WeakPolarHBondContact CB-SG 3.24Å; C448-Y458 CarbonylContact C-O 3.6Å; C448-Y458 WeakPolarHBondContact CA-O 3.37Å
449T85.1Confident77.5Confident20 Ų2045.6 Ų45.612%0.12322%0.222CC..EExtended strand (participates in β ladder)trans-143.4157.2166.8-173.20000109.5Y458 I490 H492T449-Y458 HydrophobicContact CG2-CD2 4.08Å; T449-Y458 HydrophobicContact CG2-CG 4.4Å; T449-Y458 PolarHBondContact N-O 3.07Å; T449-Y458 PolarHBondContact O-N 2.73Å; T449-I490 HydrophobicContact CG2-CB 4Å; T449-I490 HydrophobicContact CG2-CG2 3.5Å; T449-H492 HydrophobicContact CG2-CB 4.29Å
450L85.1Confident78.2Confident17 Ų1741.2 Ų41.29%0.08920%0.204CC..EExtended strand (participates in β ladder)trans-105.8153.4178-68.1164.3000110.8L404 L405 L406 V414 I457L404-L450 HydrophobicContact CB-CD1 3.67Å; L404-L450 HydrophobicContact CB-CG 4.32Å; L404-L450 HydrophobicContact CD1-CD1 4.27Å; L404-L450 HydrophobicContact CD1-CG 4.03Å; L405-L450 VanDerWaalsContact O-CD1 3.27Å; L405-L450 WeakPolarHBondContact O-CD1 3.44Å; L406-L450 HydrophobicContact CD2-CD1 3.85Å; L406-L450 HydrophobicContact CD2-CD2 3.74Å; L406-L450 HydrophobicContact CD2-CG 4.45Å; V414-L450 HydrophobicContact CG2-CD1 4.14Å; V414-L450 HydrophobicContact CG2-CD2 3.91Å; V414-L450 HydrophobicContact CG2-CG 4.48Å; L450-I457 HydrophobicContact CD2-CB 4.38Å; L450-I457 HydrophobicContact CD2-CD1 4.41Å; L450-I457 HydrophobicContact CD2-CG1 3.79Å; L450-I457 HydrophobicContact CD2-CG2 4.34Å
451S84.1Confident79.4Confident1 Ų129.4 Ų29.41%0.00716%0.159CC..  trans-69.4157.2164.769.50000111.1E199 R453 G454 E455 W456E199-S451 VanDerWaalsContact CD-OG 3.3Å; E199-S451 PolarHBondContact OE1-OG 2.92Å; E199-S451 WeakPolarHBondContact OE2-CB 3.33Å; E199-S451 PolarHBondContact OE2-OG 3.3Å; S451-R453 PolarHBondContact O-N 3.41Å; S451-G454 WeakPolarHBondContact O-CA 3.47Å; S451-G454 PolarHBondContact O-N 3.26Å; S451-G454 WeakPolarHBondContact OG-CA 3.39Å; S451-G454 PolarHBondContact OG-N 3.4Å; S451-G454 VanDerWaalsContact OG-N 3.15Å; S451-E455 PolarHBondContact OG-N 3.01Å; S451-W456 PolarHBondContact N-O 3.01Å; S451-W456 PolarHBondContact OG-N 2.86Å
452P76.3Confident80.6Confident45 Ų4523.5 Ų23.529%0.29213%0.132SC..THydrogen-bonded Turntrans-57.8-33.4-176.1-28.937.3000114.1E199 P407 H492 H493 P494E199-P452 VanDerWaalsContact OE1-CD 3.24Å; E199-P452 WeakPolarHBondContact OE1-CD 2.88Å; P407-P452 WeakPolarHBondContact CB-O 3.36Å; P407-P452 WeakPolarHBondContact CG-O 3.25Å; P452-H492 WeakPolarHBondContact CD-CE1 3.38Å; P452-H492 WeakPolarHBondContact CD-ND1 3.4Å; P452-H493 WeakPolarHBondContact CG-O 3.48Å; P452-P494 WeakPolarHBondContact CB-O 3.47Å
453R75.3Confident81.6Confident95 Ų9522.8 Ų22.836%0.35812%0.117SC..THydrogen-bonded Turntrans-96-3.5174.6-52.9177.4-173.1168.911.8112.2E197 E199 K408 S451 E455E197-R453 PolarHBondContact O-NH2 3.09Å; E199-R453 VanDerWaalsContact CD-CB 3.5Å; E199-R453 HydrophobicContact CG-CB 4.46Å; E199-R453 HydrophobicContact CG-CG 4.32Å; E199-R453 WeakPolarHBondContact OE1-CA 3.43Å; E199-R453 WeakPolarHBondContact OE1-CB 3.19Å; E199-R453 VanDerWaalsContact OE1-CG 3.23Å; E199-R453 WeakPolarHBondContact OE1-CG 3.35Å; E199-R453 PolarHBondContact OE1-N 2.94Å; K408-R453 WeakPolarHBondContact CD-O 3.45Å; K408-R453 WeakPolarHBondContact CE-O 3.21Å; K408-R453 VanDerWaalsContact CG-O 3.29Å; K408-R453 WeakPolarHBondContact CG-O 3.17Å; S451-R453 PolarHBondContact O-N 3.41Å; R453-E455 VanDerWaalsContact C-N 3.34Å; R453-E455 HydrophobicContact CB-CG 4.3Å; R453-E455 PolarHBondContact O-N 3.4Å
454G77.1Confident82.6Confident7 Ų726 Ų267%0.07213%0.131CC..SBendtrans68.925.717800000114.5S451 T471S451-G454 WeakPolarHBondContact O-CA 3.47Å; S451-G454 PolarHBondContact O-N 3.26Å; S451-G454 WeakPolarHBondContact OG-CA 3.39Å; S451-G454 PolarHBondContact OG-N 3.4Å; S451-G454 VanDerWaalsContact OG-N 3.15Å; G454-T471 WeakPolarHBondContact O-CB 3.24Å; G454-T471 VanDerWaalsContact O-CG2 3.24Å; G454-T471 WeakPolarHBondContact O-CG2 3.43Å; G454-T471 PolarHBondContact O-OG1 2.83Å
455E82.1Confident83Confident62 Ų6224.4 Ų24.429%0.2912%0.122SC..SBendtrans-80.6-21.3173.8-57.2-172.6166.400112.4E199 K408 S451 R453 T471E199-E455 WeakPolarHBondContact OE2-CB 3.42Å; E199-E455 PolarHBondContact OE2-N 2.8Å; K408-E455 VanDerWaalsContact NZ-CG 3.34Å; K408-E455 IonicContact NZ-OE1 2.75Å; K408-E455 PolarHBondContact NZ-OE1 2.89Å; S451-E455 PolarHBondContact OG-N 3.01Å; R453-E455 VanDerWaalsContact C-N 3.34Å; R453-E455 HydrophobicContact CB-CG 4.3Å; R453-E455 PolarHBondContact O-N 3.4Å; E455-T471 VanDerWaalsContact CA-OG1 3.29Å; E455-T471 WeakPolarHBondContact CA-OG1 3.49Å; E455-T471 PolarHBondContact O-N 2.87Å; E455-T471 PolarHBondContact O-OG1 3.2Å; E455-T471 VanDerWaalsContact O-OG1 3.09Å
456W86Confident83.2Confident28 Ų2824.3 Ų24.311%0.10612%0.122CC..EExtended strand (participates in β ladder)trans-127.5141.2-179.8-60.593.2000111.8E199 F201 S451 Y458 F469 E477E199-W456 PolarHBondContact O-NE1 3.33Å; F201-W456 HydrophobicContact CB-CE3 4.48Å; F201-W456 HydrophobicContact CB-CZ3 4.48Å; F201-W456 AromaticContact CD1-CH2 3.55Å; F201-W456 HydrophobicContact CD1-CH2 3.55Å; F201-W456 AromaticContact CD1-CZ2 3.79Å; F201-W456 HydrophobicContact CD1-CZ2 3.79Å; F201-W456 HydrophobicContact CD1-CZ3 4.07Å; F201-W456 HydrophobicContact CE1-CH2 4.18Å; F201-W456 HydrophobicContact CE1-CZ2 4.49Å; S451-W456 PolarHBondContact N-O 3.01Å; S451-W456 PolarHBondContact OG-N 2.86Å; W456-Y458 HydrophobicContact CB-CE1 4.06Å; W456-Y458 HydrophobicContact CB-CE2 3.94Å; W456-F469 CarbonylContact C-O 3.55Å; W456-F469 WeakPolarHBondContact CA-O 3.4Å; W456-E477 HydrophobicContact CH2-CB 4.13Å; W456-E477 HydrophobicContact CH2-CG 3.79Å; W456-E477 HydrophobicContact CZ3-CB 3.82Å; W456-E477 HydrophobicContact CZ3-CG 3.61Å
457I87.4Confident83.6Confident0 Ų022.4 Ų22.40%011%0.11CC..EExtended strand (participates in β ladder)trans-111.2125.8166.8-45.6-175.1000107.4V414 I424 F435 L450 F469 T471V414-I457 HydrophobicContact CG1-CD1 4.22Å; V414-I457 HydrophobicContact CG1-CG2 4.49Å; V414-I457 HydrophobicContact CG2-CD1 4.35Å; I424-I457 HydrophobicContact CD1-CD1 4.15Å; I424-I457 HydrophobicContact CG1-CD1 4.31Å; F435-I457 HydrophobicContact CD2-CD1 4.12Å; F435-I457 HydrophobicContact CE2-CD1 3.77Å; F435-I457 HydrophobicContact CZ-CD1 4.04Å; L450-I457 HydrophobicContact CD2-CB 4.38Å; L450-I457 HydrophobicContact CD2-CD1 4.41Å; L450-I457 HydrophobicContact CD2-CG1 3.79Å; L450-I457 HydrophobicContact CD2-CG2 4.34Å; I457-F469 HydrophobicContact CB-CB 4.3Å; I457-F469 PolarHBondContact N-O 2.81Å; I457-F469 PolarHBondContact O-N 2.8Å; I457-T471 HydrophobicContact CD1-CG2 3.85Å; I457-T471 HydrophobicContact CG1-CG2 3.42Å; I457-T471 VanDerWaalsContact CG1-CG2 3.42Å
458Y88.2Confident83.9Confident1 Ų122 Ų220%0.00411%0.108CC..EExtended strand (participates in β ladder)trans-107.2122176.2-57.2-65.7000108.4F201 P202 C448 T449 W456 Y467 C468 H492 I499F201-Y458 HydrophobicContact CB-CE1 4.46Å; P202-Y458 HydrophobicContact CG-CE1 4.47Å; C448-Y458 CarbonylContact C-O 3.6Å; C448-Y458 WeakPolarHBondContact CA-O 3.37Å; T449-Y458 HydrophobicContact CG2-CD2 4.08Å; T449-Y458 HydrophobicContact CG2-CG 4.4Å; T449-Y458 PolarHBondContact N-O 3.07Å; T449-Y458 PolarHBondContact O-N 2.73Å; W456-Y458 HydrophobicContact CB-CE1 4.06Å; W456-Y458 HydrophobicContact CB-CE2 3.94Å; Y458-Y467 WeakPolarHBondContact CA-O 3.38Å; Y458-C468 HydrophobicContact CD1-CB 4.15Å; Y458-C468 HydrophobicContact CE1-CB 4.17Å; Y458-H492 AromaticContact CE2-CD2 3.56Å; Y458-I499 HydrophobicContact CD1-CD1 3.69Å; Y458-I499 HydrophobicContact CD2-CD1 3.58Å; Y458-I499 HydrophobicContact CE1-CD1 3.68Å; Y458-I499 HydrophobicContact CE2-CD1 3.55Å; Y458-I499 HydrophobicContact CE2-CG1 4.45Å; Y458-I499 HydrophobicContact CG-CD1 3.63Å
459C86.5Confident83.9Confident0 Ų021.8 Ų21.80%011%0.105CC..EExtended strand (participates in β ladder)trans-125139.8-179.7-58.70000109.3V422 F445 C447 L466 Y467 F469V422-C459 HydrophobicContact CG2-CB 4.45Å; V422-C459 WeakPolarHBondContact CG2-SG 3.28Å; F445-C459 HydrophobicContact CD1-CB 3.62Å; F445-C459 HydrophobicContact CE1-CB 3.72Å; F445-C459 HydrophobicContact CG-CB 4.14Å; F445-C459 HydrophobicContact CZ-CB 4.31Å; C447-C459 WeakPolarHBondContact O-CA 3.38Å; C459-L466 CarbonylContact O-C 3.57Å; C459-L466 WeakPolarHBondContact O-CA 3.47Å; C459-Y467 PolarHBondContact N-O 3.22Å; C459-Y467 PolarHBondContact O-N 3.47Å; C459-F469 HydrophobicContact CB-CE2 4.23Å
460V84.9Confident84Confident0 Ų021.2 Ų21.20%010%0.103CC..EExtended strand (participates in β ladder)trans-110.6132170.6170.40000109.7F445 V446 C447 V465 L466 V487 I490F445-V460 WeakPolarHBondContact CA-O 3.34Å; V446-V460 PolarHBondContact N-O 3.29Å; C447-V460 PolarHBondContact O-N 3.28Å; V460-V465 WeakPolarHBondContact CA-O 3.32Å; V460-L466 HydrophobicContact CG2-CB 4.17Å; V460-L466 HydrophobicContact CG2-CD1 3.52Å; V460-L466 HydrophobicContact CG2-CG 4.49Å; V460-V487 HydrophobicContact CB-CG1 4.34Å; V460-V487 HydrophobicContact CG1-CB 3.53Å; V460-V487 HydrophobicContact CG1-CG1 3.78Å; V460-V487 HydrophobicContact CG1-CG2 3.84Å; V460-V487 HydrophobicContact CG2-CG1 4.34Å; V460-I490 HydrophobicContact CB-CD1 3.8Å; V460-I490 HydrophobicContact CB-CG1 4.24Å; V460-I490 HydrophobicContact CG2-CD1 3.25Å; V460-I490 HydrophobicContact CG2-CG1 3.58Å
461G83Confident83.8Confident1 Ų121.2 Ų21.21%0.0110%0.103CC..EExtended strand (participates in β ladder)trans-91.9163.517400000113D444 D463 F464 V465D444-G461 CarbonylContact O-C 3.49Å; D444-G461 VanDerWaalsContact O-CA 3.24Å; D444-G461 WeakPolarHBondContact O-CA 3.37Å; G461-D463 WeakPolarHBondContact CA-OD1 3.33Å; G461-D463 PolarHBondContact O-N 3.33Å; G461-D463 VanDerWaalsContact O-N 3.12Å; G461-F464 PolarHBondContact O-N 3.06Å; G461-V465 PolarHBondContact N-O 3.06Å; G461-V465 VanDerWaalsContact N-O 3.1Å
462E82.5Confident83.5Confident57 Ų5726.2 Ų26.227%0.26613%0.133SC..THydrogen-bonded Turntrans-59.6-13.3168.3-68.6-177.9171.200113R418 D444 V446 F464R418-E462 IonicContact CZ-OE1 2.9Å; R418-E462 VanDerWaalsContact CZ-OE1 3.32Å; R418-E462 IonicContact NE-OE1 3.66Å; R418-E462 PolarHBondContact NE-OE1 3.5Å; R418-E462 IonicContact NH2-OE1 3.54Å; R418-E462 PolarHBondContact NH2-OE1 3.23Å; D444-E462 HydrophobicContact CB-CG 4.46Å; D444-E462 PolarHBondContact O-N 2.77Å; V446-E462 HydrophobicContact CG2-CG 3.73Å; E462-F464 WeakPolarHBondContact O-CE1 3.31Å; E462-F464 PolarHBondContact O-N 2.78Å
463D81.9Confident83.6Confident33 Ų3327.5 Ų27.518%0.17614%0.141CC..THydrogen-bonded Turntrans-83.111.7174.764.5-14.7000114.4K439 G461 V465 Y467K439-D463 IonicContact NZ-OD2 2.99Å; K439-D463 PolarHBondContact NZ-OD2 3.46Å; G461-D463 WeakPolarHBondContact CA-OD1 3.33Å; G461-D463 PolarHBondContact O-N 3.33Å; G461-D463 VanDerWaalsContact O-N 3.12Å; D463-V465 PolarHBondContact O-N 3.28Å; D463-V465 PolarHBondContact OD1-N 3.03Å; D463-Y467 PolarHBondContact OD2-OH 3.01Å
464F84.7Confident83.7Confident69 Ų6924.4 Ų24.430%0.30314%0.138SC..SBendtrans64.217.7-179.5-34.3-56.6000114.4G461 E462 V482 H483 K485 D486G461-F464 PolarHBondContact O-N 3.06Å; E462-F464 WeakPolarHBondContact O-CE1 3.31Å; E462-F464 PolarHBondContact O-N 2.78Å; F464-V482 PolarHBondContact O-N 3.45Å; F464-H483 VanDerWaalsContact CB-O 3.25Å; F464-H483 WeakPolarHBondContact CB-O 3.37Å; F464-K485 WeakPolarHBondContact CD1-O 2.97Å; F464-D486 VanDerWaalsContact CE1-N 3.34Å; F464-D486 WeakPolarHBondContact CE1-OD1 3.5Å
465V85.8Confident83.9Confident16 Ų1630.8 Ų30.810%0.09716%0.164CC..EExtended strand (participates in β ladder)trans-104.2134.1-179178.10000110.8V460 G461 D463 Y467 T479 L480 T481V460-V465 WeakPolarHBondContact CA-O 3.32Å; G461-V465 PolarHBondContact N-O 3.06Å; G461-V465 VanDerWaalsContact N-O 3.1Å; D463-V465 PolarHBondContact O-N 3.28Å; D463-V465 PolarHBondContact OD1-N 3.03Å; V465-Y467 HydrophobicContact CB-CD2 4.4Å; V465-Y467 HydrophobicContact CB-CE2 3.79Å; V465-Y467 HydrophobicContact CG1-CD2 4.16Å; V465-Y467 HydrophobicContact CG1-CE1 4.43Å; V465-Y467 HydrophobicContact CG1-CE2 3.84Å; V465-Y467 WeakPolarHBondContact O-CD2 3.32Å; V465-T479 HydrophobicContact CG1-CG2 4.06Å; V465-L480 CarbonylContact C-O 3.5Å; V465-L480 WeakPolarHBondContact CA-O 3.2Å; V465-T481 HydrophobicContact CG2-CG2 4.18Å
466L86.4Confident83.9Confident0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-85.4121.3165.6-177.471.1000109.4P202 C459 V460 T479 L480 V482 I490P202-L466 HydrophobicContact CG-CD2 3.8Å; C459-L466 CarbonylContact O-C 3.57Å; C459-L466 WeakPolarHBondContact O-CA 3.47Å; V460-L466 HydrophobicContact CG2-CB 4.17Å; V460-L466 HydrophobicContact CG2-CD1 3.52Å; V460-L466 HydrophobicContact CG2-CG 4.49Å; L466-T479 CarbonylContact O-C 3.43Å; L466-T479 VanDerWaalsContact O-CA 3.28Å; L466-T479 WeakPolarHBondContact O-CA 3.43Å; L466-L480 HydrophobicContact CB-CB 4.44Å; L466-L480 PolarHBondContact N-O 3.33Å; L466-L480 PolarHBondContact O-N 3.37Å; L466-V482 HydrophobicContact CB-CG2 3.43Å; L466-V482 VanDerWaalsContact CB-CG2 3.43Å; L466-I490 HydrophobicContact CD1-CD1 3.81Å
467Y87.2Confident83.8Confident3 Ų333.8 Ų33.81%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-100123.2175.2-65.6-95.2000109.7K439 F445 Y458 C459 D463 V465 L476 T479K439-Y467 WeakPolarHBondContact CE-OH 3.43Å; K439-Y467 PolarHBondContact NZ-OH 2.69Å; F445-Y467 HydrophobicContact CD1-CD2 4.43Å; F445-Y467 AromaticContact CE1-CD2 3.65Å; F445-Y467 HydrophobicContact CE1-CD2 3.65Å; F445-Y467 HydrophobicContact CE1-CE2 4.14Å; F445-Y467 AromaticContact CE1-CG 3.94Å; F445-Y467 HydrophobicContact CE1-CG 3.94Å; Y458-Y467 WeakPolarHBondContact CA-O 3.38Å; C459-Y467 PolarHBondContact N-O 3.22Å; C459-Y467 PolarHBondContact O-N 3.47Å; D463-Y467 PolarHBondContact OD2-OH 3.01Å; V465-Y467 HydrophobicContact CB-CD2 4.4Å; V465-Y467 HydrophobicContact CB-CE2 3.79Å; V465-Y467 HydrophobicContact CG1-CD2 4.16Å; V465-Y467 HydrophobicContact CG1-CE1 4.43Å; V465-Y467 HydrophobicContact CG1-CE2 3.84Å; V465-Y467 WeakPolarHBondContact O-CD2 3.32Å; Y467-L476 HydrophobicContact CD1-CD1 3.8Å; Y467-L476 HydrophobicContact CD1-CD2 3.92Å; Y467-L476 HydrophobicContact CE1-CD2 4.34Å; Y467-L476 HydrophobicContact CG-CD1 4.36Å; Y467-T479 HydrophobicContact CD1-CG2 3.52Å; Y467-T479 HydrophobicContact CE1-CG2 3.67Å; Y467-T479 HydrophobicContact CG-CG2 4.3Å
468C86.9Confident83.5Confident0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-106.3106.8178-58.40000109.6F201 Y458 E477 R478F201-C468 HydrophobicContact CB-CB 4.21Å; Y458-C468 HydrophobicContact CD1-CB 4.15Å; Y458-C468 HydrophobicContact CE1-CB 4.17Å; C468-E477 PolarHBondContact O-N 2.92Å; C468-R478 HydrophobicContact CB-CB 4.23Å; C468-R478 PolarHBondContact N-O 3.44Å
469F86.6Confident83.3Confident2 Ų242.5 Ų42.51%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-101.6136.7176.9-61.6-78.8000110.9F435 F445 W456 I457 C459 K475 L476F435-F469 HydrophobicContact CB-CD1 3.94Å; F435-F469 HydrophobicContact CB-CD2 4.37Å; F435-F469 HydrophobicContact CB-CE1 4.03Å; F435-F469 HydrophobicContact CB-CE2 4.46Å; F435-F469 HydrophobicContact CB-CG 4.11Å; F435-F469 HydrophobicContact CB-CZ 4.31Å; F435-F469 HydrophobicContact CD1-CB 3.75Å; F435-F469 AromaticContact CD1-CD1 3.9Å; F435-F469 HydrophobicContact CD1-CD1 3.9Å; F435-F469 AromaticContact CD1-CG 3.96Å; F435-F469 HydrophobicContact CD1-CG 3.96Å; F435-F469 HydrophobicContact CE1-CB 4.18Å; F435-F469 HydrophobicContact CG-CB 4.41Å; F435-F469 HydrophobicContact CG-CD1 4.35Å; F435-F469 HydrophobicContact CG-CG 4.31Å; F445-F469 HydrophobicContact CE1-CE2 4.4Å; F445-F469 AromaticContact CZ-CE2 3.87Å; F445-F469 HydrophobicContact CZ-CE2 3.87Å; F445-F469 AromaticContact CZ-CZ 3.92Å; F445-F469 HydrophobicContact CZ-CZ 3.92Å; W456-F469 CarbonylContact C-O 3.55Å; W456-F469 WeakPolarHBondContact CA-O 3.4Å; I457-F469 HydrophobicContact CB-CB 4.3Å; I457-F469 PolarHBondContact N-O 2.81Å; I457-F469 PolarHBondContact O-N 2.8Å; C459-F469 HydrophobicContact CB-CE2 4.23Å; F469-K475 WeakPolarHBondContact CA-O 3.31Å; F469-L476 HydrophobicContact CD1-CB 3.89Å; F469-L476 HydrophobicContact CD1-CD1 3.92Å; F469-L476 HydrophobicContact CE1-CB 3.71Å; F469-L476 HydrophobicContact CE1-CD1 3.67Å; F469-L476 HydrophobicContact CE1-CG 4.18Å; F469-L476 HydrophobicContact CE2-CD1 4.44Å; F469-L476 HydrophobicContact CG-CD1 4.42Å; F469-L476 HydrophobicContact CZ-CD1 3.94Å
470S85.3Confident83.2Confident9 Ų944 Ų446%0.06323%0.23CC..EExtended strand (participates in β ladder)trans-86.4127.5169.7174.40000110.2F435 V472 T473 G474 K475F435-S470 WeakPolarHBondContact CE1-O 3.25Å; S470-V472 PolarHBondContact O-N 3.1Å; S470-V472 PolarHBondContact OG-N 3.12Å; S470-T473 VanDerWaalsContact CB-OG1 3.29Å; S470-T473 WeakPolarHBondContact CB-OG1 3.2Å; S470-T473 PolarHBondContact OG-N 2.86Å; S470-G474 WeakPolarHBondContact O-CA 3.24Å; S470-G474 PolarHBondContact O-N 3.09Å; S470-K475 PolarHBondContact N-O 3.42Å; S470-K475 VanDerWaalsContact N-O 3.12Å
471T81.4Confident83.2Confident16 Ų1649.5 Ų49.510%0.09826%0.263CS..THydrogen-bonded Turntrans-69.7-22.6177.760.50000113.1R433 G454 E455 I457R433-T471 PolarHBondContact NE-O 2.85Å; G454-T471 WeakPolarHBondContact O-CB 3.24Å; G454-T471 VanDerWaalsContact O-CG2 3.24Å; G454-T471 WeakPolarHBondContact O-CG2 3.43Å; G454-T471 PolarHBondContact O-OG1 2.83Å; E455-T471 VanDerWaalsContact CA-OG1 3.29Å; E455-T471 WeakPolarHBondContact CA-OG1 3.49Å; E455-T471 PolarHBondContact O-N 2.87Å; E455-T471 PolarHBondContact O-OG1 3.2Å; E455-T471 VanDerWaalsContact O-OG1 3.09Å; I457-T471 HydrophobicContact CD1-CG2 3.85Å; I457-T471 HydrophobicContact CG1-CG2 3.42Å; I457-T471 VanDerWaalsContact CG1-CG2 3.42Å
472V79.2Confident83.1Confident106 Ų10649.6 Ų49.664%0.64226%0.264SS*.THydrogen-bonded Turntrans-83-50.1-179.3-177.90000110.6S470S470-V472 PolarHBondContact O-N 3.1Å; S470-V472 PolarHBondContact OG-N 3.12Å
473T77.9Confident83.1Confident73 Ų7347.4 Ų47.445%0.44825%0.253SS..THydrogen-bonded Turntrans-83.9-21.5-177.370.30000112.7S470 K475 E477S470-T473 VanDerWaalsContact CB-OG1 3.29Å; S470-T473 WeakPolarHBondContact CB-OG1 3.2Å; S470-T473 PolarHBondContact OG-N 2.86Å; T473-K475 PolarHBondContact O-N 3.39Å; T473-K475 PolarHBondContact OG1-N 3.32Å; T473-E477 PolarHBondContact OG1-OE1 3.45Å
474G76.2Confident83Confident30 Ų3054 Ų5431%0.30928%0.283SS..  trans76.21.3-175.500000113.9S470S470-G474 WeakPolarHBondContact O-CA 3.24Å; S470-G474 PolarHBondContact O-N 3.09Å
475K80.9Confident82.9Confident140 Ų14056 Ų5661%0.60929%0.292SS*.SBendtrans-102.2153.6-171.5-64.7-177.5-178.1179.30112F469 S470 T473F469-K475 WeakPolarHBondContact CA-O 3.31Å; S470-K475 PolarHBondContact N-O 3.42Å; S470-K475 VanDerWaalsContact N-O 3.12Å; T473-K475 PolarHBondContact O-N 3.39Å; T473-K475 PolarHBondContact OG1-N 3.32Å
476L83.5Confident82.7Confident65 Ų6558.8 Ų58.834%0.3431%0.306SS..EExtended strand (participates in β ladder)trans-77.1115166.1-179.664000108.3Y467 F469 T479Y467-L476 HydrophobicContact CD1-CD1 3.8Å; Y467-L476 HydrophobicContact CD1-CD2 3.92Å; Y467-L476 HydrophobicContact CE1-CD2 4.34Å; Y467-L476 HydrophobicContact CG-CD1 4.36Å; F469-L476 HydrophobicContact CD1-CB 3.89Å; F469-L476 HydrophobicContact CD1-CD1 3.92Å; F469-L476 HydrophobicContact CE1-CB 3.71Å; F469-L476 HydrophobicContact CE1-CD1 3.67Å; F469-L476 HydrophobicContact CE1-CG 4.18Å; F469-L476 HydrophobicContact CE2-CD1 4.44Å; F469-L476 HydrophobicContact CG-CD1 4.42Å; F469-L476 HydrophobicContact CZ-CD1 3.94Å; L476-T479 HydrophobicContact CD1-CG2 4.17Å; L476-T479 HydrophobicContact CD2-CG2 3.9Å; L476-T479 HydrophobicContact CG-CG2 4.34Å
477E82.5Confident82.6Confident88 Ų8859.1 Ų59.141%0.41131%0.308SS..EExtended strand (participates in β ladder)trans-96.4-35.3-176-63.9-71164.900111.6W456 C468 T473W456-E477 HydrophobicContact CH2-CB 4.13Å; W456-E477 HydrophobicContact CH2-CG 3.79Å; W456-E477 HydrophobicContact CZ3-CB 3.82Å; W456-E477 HydrophobicContact CZ3-CG 3.61Å; C468-E477 PolarHBondContact O-N 2.92Å; T473-E477 PolarHBondContact OG1-OE1 3.45Å
478R81.9Confident82.5Confident113 Ų11360.8 Ų60.843%0.42632%0.317SS..EExtended strand (participates in β ladder)trans-149.1147.5-177.1-165.575.792.8-174.97.1111.9F201 C468 L480F201-R478 HydrophobicContact CD2-CB 4.22Å; F201-R478 HydrophobicContact CD2-CG 4.39Å; C468-R478 HydrophobicContact CB-CB 4.23Å; C468-R478 PolarHBondContact N-O 3.44Å; R478-L480 HydrophobicContact CG-CD2 4.27Å; R478-L480 HydrophobicContact CG-CG 4.22Å
479T84.8Confident82.4Confident72 Ų7261 Ų6144%0.44232%0.319SS..EExtended strand (participates in β ladder)trans-123.7139.7165.949.80000110V465 L466 Y467 L476V465-T479 HydrophobicContact CG1-CG2 4.06Å; L466-T479 CarbonylContact O-C 3.43Å; L466-T479 VanDerWaalsContact O-CA 3.28Å; L466-T479 WeakPolarHBondContact O-CA 3.43Å; Y467-T479 HydrophobicContact CD1-CG2 3.52Å; Y467-T479 HydrophobicContact CE1-CG2 3.67Å; Y467-T479 HydrophobicContact CG-CG2 4.3Å; L476-T479 HydrophobicContact CD1-CG2 4.17Å; L476-T479 HydrophobicContact CD2-CG2 3.9Å; L476-T479 HydrophobicContact CG-CG2 4.34Å
480L83.8Confident82.6Confident31 Ų3161.6 Ų61.616%0.16232%0.322CS..EExtended strand (participates in β ladder)trans-134.4130.4178.7-64.5172.8000110.3P202 V465 L466 R478 V482P202-L480 HydrophobicContact CB-CD1 4.16Å; P202-L480 HydrophobicContact CG-CD1 3.94Å; P202-L480 WeakPolarHBondContact O-CD1 3.23Å; V465-L480 CarbonylContact C-O 3.5Å; V465-L480 WeakPolarHBondContact CA-O 3.2Å; L466-L480 HydrophobicContact CB-CB 4.44Å; L466-L480 PolarHBondContact N-O 3.33Å; L466-L480 PolarHBondContact O-N 3.37Å; R478-L480 HydrophobicContact CG-CD2 4.27Å; R478-L480 HydrophobicContact CG-CG 4.22Å; L480-V482 WeakPolarHBondContact O-CG2 3.43Å; L480-V482 PolarHBondContact O-N 2.96Å
481T84.7Confident82.7Confident115 Ų11561.6 Ų61.671%0.70632%0.323SS*.EExtended strand (participates in β ladder)trans-74.7120170.851.80000109.5V465V465-T481 HydrophobicContact CG2-CG2 4.18Å
482V81.2Confident83.1Confident3 Ų361.9 Ų61.92%0.01832%0.323CS..  trans-101.2-52.3-168.3-163.10000111.7F464 L466 L480 T501 K509 W511F464-V482 PolarHBondContact O-N 3.45Å; L466-V482 HydrophobicContact CB-CG2 3.43Å; L466-V482 VanDerWaalsContact CB-CG2 3.43Å; L480-V482 WeakPolarHBondContact O-CG2 3.43Å; L480-V482 PolarHBondContact O-N 2.96Å; V482-T501 HydrophobicContact CG1-CG2 3.69Å; V482-T501 WeakPolarHBondContact CG1-OG1 3.18Å; V482-K509 WeakPolarHBondContact O-CD 3.05Å; V482-K509 WeakPolarHBondContact O-CE 3.49Å; V482-K509 PolarHBondContact O-NZ 3.22Å; V482-W511 HydrophobicContact CB-CZ2 4.12Å; V482-W511 HydrophobicContact CG1-CZ2 3.42Å; V482-W511 VanDerWaalsContact CG1-CZ2 3.42Å
483H82.4Confident83.4Confident11 Ų1156.9 Ų56.95%0.05129%0.292CS..  trans-135.1169.7-171.3-71.3-83.4000111.6F464 V487 T501 S503 D505 L507F464-H483 VanDerWaalsContact CB-O 3.25Å; F464-H483 WeakPolarHBondContact CB-O 3.37Å; H483-V487 HydrophobicContact CB-CG2 3.93Å; H483-T501 PolarHBondContact NE2-O 3.3Å; H483-T501 PolarHBondContact NE2-OG1 3.08Å; H483-S503 PolarHBondContact CE1-OG 2.93Å; H483-S503 PolarHBondContact ND1-OG 3.3Å; H483-D505 IonicContact CG-OD2 3Å; H483-D505 IonicContact ND1-OD1 2.71Å; H483-D505 IonicContact ND1-OD2 3.32Å; H483-D505 PolarHBondContact ND1-OD2 3.37Å; H483-L507 PolarHBondContact CE1-O 2.95Å
484E79.4Confident83.6Confident172 Ų17255.4 Ų55.480%0.80428%0.284SS*.SBendtrans-99.5-10178.5-64.5178.2-177.500112.3
485K83.5Confident83.7Confident110 Ų11058.8 Ų58.848%0.47829%0.292SS..SBendtrans-129.7174.5176.3-65.9-165.4-173.7178.40110.7F464 V487 E504 D505F464-K485 WeakPolarHBondContact CD1-O 2.97Å; K485-V487 PolarHBondContact O-N 2.86Å; K485-E504 HydrophobicContact CD-CB 4.46Å; K485-D505 HydrophobicContact CB-CB 4.12Å; K485-D505 HydrophobicContact CD-CB 4.04Å; K485-D505 HydrophobicContact CG-CB 4.05Å
486D80.6Confident83.7Confident76 Ų7655.7 Ų55.741%0.40628%0.279SS..  trans-52126.5178.7-68.7-43.9000111.8F464 S503 E504F464-D486 VanDerWaalsContact CE1-N 3.34Å; F464-D486 WeakPolarHBondContact CE1-OD1 3.5Å; D486-S503 WeakPolarHBondContact O-CA 3.49Å; D486-S503 WeakPolarHBondContact O-CB 3.48Å; D486-E504 PolarHBondContact O-N 2.88Å; D486-E504 VanDerWaalsContact O-N 3.09Å
487V84.8Confident83.6Confident6 Ų653.2 Ų53.24%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-87.4121.5178.4-178.40000108.2V460 H483 K485 Y502V460-V487 HydrophobicContact CB-CG1 4.34Å; V460-V487 HydrophobicContact CG1-CB 3.53Å; V460-V487 HydrophobicContact CG1-CG1 3.78Å; V460-V487 HydrophobicContact CG1-CG2 3.84Å; V460-V487 HydrophobicContact CG2-CG1 4.34Å; H483-V487 HydrophobicContact CB-CG2 3.93Å; K485-V487 PolarHBondContact O-N 2.86Å; V487-Y502 WeakPolarHBondContact CG1-O 3.39Å
488I84.8Confident83.7Confident39 Ų3949 Ų4920%0.225%0.247CC..EExtended strand (participates in β ladder)trans-79.2-42.2-177-60.9163.7000109.5H216 V217 E218 Y502 E504H216-I488 VanDerWaalsContact CD2-CD1 3.49Å; H216-I488 WeakPolarHBondContact CD2-CD1 3.32Å; V217-I488 WeakPolarHBondContact O-CD1 3.44Å; E218-I488 VanDerWaalsContact O-CG2 3.31Å; E218-I488 WeakPolarHBondContact O-CG2 3.44Å; I488-Y502 HydrophobicContact CB-CD2 3.98Å; I488-Y502 HydrophobicContact CB-CE2 4.04Å; I488-Y502 HydrophobicContact CG2-CD2 4.31Å; I488-Y502 HydrophobicContact CG2-CE2 3.94Å; I488-Y502 PolarHBondContact N-O 3.21Å; I488-E504 HydrophobicContact CD1-CG 3.82Å; I488-E504 HydrophobicContact CG1-CG 3.94Å
489G85.3Confident84Confident3 Ų343.8 Ų43.83%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-165.6173-175.800000116.1C447 Y502C447-G489 VanDerWaalsContact SG-CA 3.57Å; G489-Y502 PolarHBondContact N-O 2.82Å; G489-Y502 WeakPolarHBondContact O-CD1 3.48Å; G489-Y502 WeakPolarHBondContact O-CE1 3.32Å; G489-Y502 PolarHBondContact O-N 3.1Å; G489-Y502 VanDerWaalsContact O-N 3.15Å
490I90Very high84.2Confident16 Ų1640.3 Ų40.38%0.08221%0.206CC..EExtended strand (participates in β ladder)trans-133142.4177.7-47.8158.5000108.4T449 V460 L466 I499 A500 T501T449-I490 HydrophobicContact CG2-CB 4Å; T449-I490 HydrophobicContact CG2-CG2 3.5Å; V460-I490 HydrophobicContact CB-CD1 3.8Å; V460-I490 HydrophobicContact CB-CG1 4.24Å; V460-I490 HydrophobicContact CG2-CD1 3.25Å; V460-I490 HydrophobicContact CG2-CG1 3.58Å; L466-I490 HydrophobicContact CD1-CD1 3.81Å; I490-I499 HydrophobicContact CG2-CG2 3.35Å; I490-A500 CarbonylContact C-O 3.56Å; I490-A500 VanDerWaalsContact CA-O 3.28Å; I490-A500 WeakPolarHBondContact CA-O 3.33Å; I490-A500 WeakPolarHBondContact CG2-O 3.21Å; I490-T501 HydrophobicContact CG1-CG2 4.36Å; I490-T501 HydrophobicContact CG2-CG2 4.22Å
491A88.6Confident84.4Confident9 Ų938.9 Ų38.97%0.07420%0.198CC..EExtended strand (participates in β ladder)trans-128.9141.3168.200000110.3F222 I499 A500F222-A491 HydrophobicContact CD2-CB 3.92Å; F222-A491 HydrophobicContact CE2-CB 4.07Å; F222-A491 WeakPolarHBondContact CE2-O 3.47Å; A491-I499 WeakPolarHBondContact O-CA 3.28Å; A491-A500 HydrophobicContact CB-CB 4.41Å; A491-A500 PolarHBondContact N-O 2.83Å; A491-A500 PolarHBondContact O-N 2.86Å
492H88.3Confident84.7Confident21 Ų2134.4 Ų34.410%0.09717%0.169CC..EExtended strand (participates in β ladder)trans-106.8143.1174-168.1-69.4000111.1F222 T449 P452 Y458 Q496F222-H492 VanDerWaalsContact CD2-O 3.32Å; F222-H492 WeakPolarHBondContact CD2-O 3.35Å; T449-H492 HydrophobicContact CG2-CB 4.29Å; P452-H492 WeakPolarHBondContact CD-CE1 3.38Å; P452-H492 WeakPolarHBondContact CD-ND1 3.4Å; Y458-H492 AromaticContact CE2-CD2 3.56Å; H492-Q496 PolarHBondContact CE1-O 2.78Å; H492-Q496 VanDerWaalsContact CE1-O 3.23Å
493H86.4Confident85Confident2 Ų234.3 Ų34.31%0.00917%0.168CC..  trans-74.6132.5175.9-172.6-92.3000112.3F222 G226 F243 P452 H495 Q496 L498F222-H493 HydrophobicContact CD1-CB 4.37Å; F222-H493 AromaticContact CD1-CD2 3.56Å; F222-H493 HydrophobicContact CD2-CB 4.28Å; F222-H493 HydrophobicContact CE1-CB 4.39Å; F222-H493 AromaticContact CE1-CD2 3.9Å; F222-H493 HydrophobicContact CE2-CB 4.31Å; F222-H493 HydrophobicContact CG-CB 4.29Å; F222-H493 HydrophobicContact CZ-CB 4.35Å; G226-H493 WeakPolarHBondContact CA-NE2 3.35Å; G226-H493 PolarHBondContact O-NE2 2.73Å; G226-H493 VanDerWaalsContact O-NE2 3.12Å; F243-H493 AromaticContact CE1-NE2 3.66Å; F243-H493 AromaticContact CZ-CD2 3.97Å; F243-H493 AromaticContact CZ-NE2 3.41Å; F243-H493 WeakPolarHBondContact CZ-NE2 3.33Å; P452-H493 WeakPolarHBondContact CG-O 3.48Å; H493-H495 VanDerWaalsContact C-N 3.26Å; H493-H495 PolarHBondContact ND1-N 3.41Å; H493-H495 PolarHBondContact O-N 3.47Å; H493-H495 VanDerWaalsContact O-N 3.13Å; H493-Q496 WeakPolarHBondContact ND1-CB 3.43Å; H493-Q496 PolarHBondContact ND1-N 2.81Å; H493-L498 HydrophobicContact CB-CB 3.8Å; H493-L498 HydrophobicContact CB-CD2 4.48Å; H493-L498 HydrophobicContact CB-CG 4.5Å; H493-L498 WeakPolarHBondContact CB-O 3.42Å; H493-L498 PolarHBondContact N-O 2.97Å
494P81.6Confident85.1Confident42 Ų4238 Ų3827%0.27319%0.186SC..SBendtrans-65.6-19.7-173.1-26.736.4000116.3S223 P452S223-P494 WeakPolarHBondContact O-CG 3.41Å; P452-P494 WeakPolarHBondContact CB-O 3.47Å
495H79.3Confident85.2Confident101 Ų10131.7 Ų31.747%0.46816%0.157SC..SBendtrans-127.5-11.9-169.6-61-33.4000115.4P224 D225 H493P224-H495 PolarHBondContact O-NE2 2.93Å; P224-H495 VanDerWaalsContact O-NE2 3.11Å; D225-H495 PolarHBondContact O-CD2 2.83Å; H493-H495 VanDerWaalsContact C-N 3.26Å; H493-H495 PolarHBondContact ND1-N 3.41Å; H493-H495 PolarHBondContact O-N 3.47Å; H493-H495 VanDerWaalsContact O-N 3.13Å
496Q79.4Confident85.1Confident74 Ų7426.7 Ų26.735%0.34614%0.137SC..SBendtrans-134.3154.4-174.4-65.4179.5-3.300107.5H492 H493 L498H492-Q496 PolarHBondContact CE1-O 2.78Å; H492-Q496 VanDerWaalsContact CE1-O 3.23Å; H493-Q496 WeakPolarHBondContact ND1-CB 3.43Å; H493-Q496 PolarHBondContact ND1-N 2.81Å; Q496-L498 PolarHBondContact O-N 3.16Å
497N81.4Confident85.4Confident13 Ų1324.9 Ų24.97%0.0713%0.127CC..SBendtrans-76.277.2173.4-64-34.8000109.7E197 E198 E199 R200 P513E197-N497 PolarHBondContact OE2-N 2.82Å; E198-N497 PolarHBondContact O-ND2 3.1Å; E199-N497 WeakPolarHBondContact CA-OD1 3.27Å; R200-N497 PolarHBondContact N-ND2 3.2Å; N497-P513 HydrophobicContact CB-CG 3.69Å; N497-P513 WeakPolarHBondContact O-CD 3.49Å
498L84.9Confident85.6Confident1 Ų124.6 Ų24.61%0.00513%0.125CC..  trans-134.7129.7179.517868.4000109.3F222 F243 H493 Q496 L510 W511 R512F222-L498 HydrophobicContact CE1-CD2 3.98Å; F222-L498 HydrophobicContact CZ-CD2 3.96Å; F222-L498 HydrophobicContact CZ-CG 4.2Å; F243-L498 HydrophobicContact CB-CD2 4.09Å; F243-L498 HydrophobicContact CD2-CD2 3.33Å; F243-L498 HydrophobicContact CE2-CD2 3.99Å; F243-L498 HydrophobicContact CG-CD2 3.9Å; H493-L498 HydrophobicContact CB-CB 3.8Å; H493-L498 HydrophobicContact CB-CD2 4.48Å; H493-L498 HydrophobicContact CB-CG 4.5Å; H493-L498 WeakPolarHBondContact CB-O 3.42Å; H493-L498 PolarHBondContact N-O 2.97Å; Q496-L498 PolarHBondContact O-N 3.16Å; L498-L510 HydrophobicContact CD1-CB 4.06Å; L498-L510 HydrophobicContact CD1-CD2 4.5Å; L498-W511 WeakPolarHBondContact CA-O 3.35Å; L498-W511 WeakPolarHBondContact CD1-O 3.31Å; L498-R512 HydrophobicContact CD1-CG 3.76Å
499I88.3Confident85.8Confident2 Ų224.2 Ų24.21%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-119.5130.6179.2-60.9-178000109P202 Y458 I490 A491 T501 L510 W511P202-I499 HydrophobicContact CB-CD1 4.48Å; P202-I499 HydrophobicContact CG-CD1 3.87Å; Y458-I499 HydrophobicContact CD1-CD1 3.69Å; Y458-I499 HydrophobicContact CD2-CD1 3.58Å; Y458-I499 HydrophobicContact CE1-CD1 3.68Å; Y458-I499 HydrophobicContact CE2-CD1 3.55Å; Y458-I499 HydrophobicContact CE2-CG1 4.45Å; Y458-I499 HydrophobicContact CG-CD1 3.63Å; I490-I499 HydrophobicContact CG2-CG2 3.35Å; A491-I499 WeakPolarHBondContact O-CA 3.28Å; I499-T501 HydrophobicContact CG2-CG2 4.16Å; I499-L510 CarbonylContact O-C 3.56Å; I499-L510 WeakPolarHBondContact O-CA 3.49Å; I499-W511 HydrophobicContact CB-CB 4.38Å; I499-W511 PolarHBondContact N-O 3.43Å; I499-W511 PolarHBondContact O-N 2.97Å
500A88.9Confident86Confident0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-102.1127.7169.500000109.2F222 L229 I490 A491 L508 K509 L510F222-A500 HydrophobicContact CE2-CB 3.7Å; F222-A500 HydrophobicContact CZ-CB 3.79Å; L229-A500 HydrophobicContact CD1-CB 4.47Å; I490-A500 CarbonylContact C-O 3.56Å; I490-A500 VanDerWaalsContact CA-O 3.28Å; I490-A500 WeakPolarHBondContact CA-O 3.33Å; I490-A500 WeakPolarHBondContact CG2-O 3.21Å; A491-A500 HydrophobicContact CB-CB 4.41Å; A491-A500 PolarHBondContact N-O 2.83Å; A491-A500 PolarHBondContact O-N 2.86Å; A500-L508 HydrophobicContact CB-CD2 4.09Å; A500-K509 CarbonylContact C-O 3.57Å; A500-K509 WeakPolarHBondContact CA-O 3.29Å; A500-L510 HydrophobicContact CB-CD2 3.58Å
501T89.3Confident85.7Confident0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-117.6141.2171.259.60000108.5V482 H483 I490 I499 L508 K509 W511V482-T501 HydrophobicContact CG1-CG2 3.69Å; V482-T501 WeakPolarHBondContact CG1-OG1 3.18Å; H483-T501 PolarHBondContact NE2-O 3.3Å; H483-T501 PolarHBondContact NE2-OG1 3.08Å; I490-T501 HydrophobicContact CG1-CG2 4.36Å; I490-T501 HydrophobicContact CG2-CG2 4.22Å; I499-T501 HydrophobicContact CG2-CG2 4.16Å; T501-L508 CarbonylContact O-C 3.56Å; T501-L508 VanDerWaalsContact O-CA 3.3Å; T501-L508 WeakPolarHBondContact O-CA 3.48Å; T501-K509 PolarHBondContact N-O 3.37Å; T501-K509 PolarHBondContact O-N 3.08Å; T501-K509 PolarHBondContact OG1-O 3.5Å; T501-W511 PolarHBondContact OG1-NE1 2.75Å
502Y90.6Very high85.4Confident21 Ų2128.4 Ų28.48%0.08213%0.134CC..EExtended strand (participates in β ladder)trans-141.2145.4-178.651.1-84.4000110.8V217 E218 S220 V487 I488 G489V217-Y502 HydrophobicContact CB-CD2 4.41Å; V217-Y502 HydrophobicContact CG1-CD2 4.05Å; V217-Y502 HydrophobicContact CG1-CG 4.18Å; V217-Y502 WeakPolarHBondContact O-CD2 3.43Å; E218-Y502 WeakPolarHBondContact O-CE2 3.44Å; S220-Y502 PolarHBondContact N-OH 2.97Å; S220-Y502 WeakPolarHBondContact OG-CD1 3.31Å; S220-Y502 WeakPolarHBondContact OG-CE1 3.34Å; V487-Y502 WeakPolarHBondContact CG1-O 3.39Å; I488-Y502 HydrophobicContact CB-CD2 3.98Å; I488-Y502 HydrophobicContact CB-CE2 4.04Å; I488-Y502 HydrophobicContact CG2-CD2 4.31Å; I488-Y502 HydrophobicContact CG2-CE2 3.94Å; I488-Y502 PolarHBondContact N-O 3.21Å; G489-Y502 PolarHBondContact N-O 2.82Å; G489-Y502 WeakPolarHBondContact O-CD1 3.48Å; G489-Y502 WeakPolarHBondContact O-CE1 3.32Å; G489-Y502 PolarHBondContact O-N 3.1Å; G489-Y502 VanDerWaalsContact O-N 3.15Å
503S87.3Confident84.7Confident1 Ų130.4 Ų30.41%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-146.5168.4-167.839.80000112.5H483 D486 D505 G506 L507H483-S503 PolarHBondContact CE1-OG 2.93Å; H483-S503 PolarHBondContact ND1-OG 3.3Å; D486-S503 WeakPolarHBondContact O-CA 3.49Å; D486-S503 WeakPolarHBondContact O-CB 3.48Å; S503-D505 WeakPolarHBondContact CB-OD1 3.16Å; S503-D505 PolarHBondContact O-N 2.84Å; S503-D505 VanDerWaalsContact O-N 3.12Å; S503-D505 PolarHBondContact OG-OD1 3.22Å; S503-D505 PolarHBondContact OG-OD2 3.12Å; S503-G506 PolarHBondContact O-N 3.34Å; S503-L507 PolarHBondContact N-O 3.41Å; S503-L507 PolarHBondContact OG-O 3.36Å
504E83.8Confident84.6Confident90 Ų9031.8 Ų31.842%0.42116%0.156SC..THydrogen-bonded Turntrans-66.5-5.7176.6-64.9-172.5178.500114.2K485 D486 I488 G506K485-E504 HydrophobicContact CD-CB 4.46Å; D486-E504 PolarHBondContact O-N 2.88Å; D486-E504 VanDerWaalsContact O-N 3.09Å; I488-E504 HydrophobicContact CD1-CG 3.82Å; I488-E504 HydrophobicContact CG1-CG 3.94Å; E504-G506 PolarHBondContact O-N 3.33Å
505D82.2Confident84.8Confident38 Ų3831.3 Ų31.320%0.20315%0.15CC..THydrogen-bonded Turntrans-74.1-4.4171.464.92.6000112.8H483 K485 S503 L507H483-D505 IonicContact CG-OD2 3Å; H483-D505 IonicContact ND1-OD1 2.71Å; H483-D505 IonicContact ND1-OD2 3.32Å; H483-D505 PolarHBondContact ND1-OD2 3.37Å; K485-D505 HydrophobicContact CB-CB 4.12Å; K485-D505 HydrophobicContact CD-CB 4.04Å; K485-D505 HydrophobicContact CG-CB 4.05Å; S503-D505 WeakPolarHBondContact CB-OD1 3.16Å; S503-D505 PolarHBondContact O-N 2.84Å; S503-D505 VanDerWaalsContact O-N 3.12Å; S503-D505 PolarHBondContact OG-OD1 3.22Å; S503-D505 PolarHBondContact OG-OD2 3.12Å; D505-L507 VanDerWaalsContact C-N 3.27Å; D505-L507 WeakPolarHBondContact OD1-CA 3.29Å; D505-L507 VanDerWaalsContact OD1-CB 3.32Å; D505-L507 WeakPolarHBondContact OD1-CB 3.24Å; D505-L507 PolarHBondContact OD1-N 3.37Å
506G82.4Confident85.1Confident5 Ų527.4 Ų27.45%0.05213%0.132CC..SBendtrans72.322-176.300000112.7F211 S503 E504F211-G506 WeakPolarHBondContact CB-O 3.32Å; F211-G506 WeakPolarHBondContact CD2-O 3.5Å; F211-G506 PolarHBondContact N-O 2.94Å; S503-G506 PolarHBondContact O-N 3.34Å; E504-G506 PolarHBondContact O-N 3.33Å
507L86.6Confident85.4Confident38 Ų3824.6 Ų24.620%0.19912%0.119CC..EExtended strand (participates in β ladder)trans-113134.3175.3-58175.4000110.2I209 K210 H483 S503 D505I209-L507 WeakPolarHBondContact O-CA 3.41Å; K210-L507 HydrophobicContact CB-CD2 3.85Å; K210-L507 HydrophobicContact CD-CD2 4.27Å; K210-L507 HydrophobicContact CG-CD2 3.76Å; H483-L507 PolarHBondContact CE1-O 2.95Å; S503-L507 PolarHBondContact N-O 3.41Å; S503-L507 PolarHBondContact OG-O 3.36Å; D505-L507 VanDerWaalsContact C-N 3.27Å; D505-L507 WeakPolarHBondContact OD1-CA 3.29Å; D505-L507 VanDerWaalsContact OD1-CB 3.32Å; D505-L507 WeakPolarHBondContact OD1-CB 3.24Å; D505-L507 PolarHBondContact OD1-N 3.37Å
508L88.9Confident85.7Confident0 Ų025.4 Ų25.40%012%0.122CC..EExtended strand (participates in β ladder)trans-109.5115.4164.3-173.7162000108.4H208 I209 F211 L229 T231 A500 T501 L510H208-L508 CarbonylContact C-O 3.52Å; H208-L508 VanDerWaalsContact CA-O 3.31Å; H208-L508 WeakPolarHBondContact CA-O 3.17Å; I209-L508 HydrophobicContact CB-CB 4.31Å; I209-L508 HydrophobicContact CD1-CD2 4.33Å; I209-L508 PolarHBondContact N-O 3.46Å; I209-L508 PolarHBondContact O-N 2.9Å; F211-L508 HydrophobicContact CE2-CB 3.93Å; L229-L508 HydrophobicContact CD2-CD1 4.24Å; L229-L508 HydrophobicContact CD2-CD2 3.99Å; T231-L508 HydrophobicContact CG2-CD1 3.45Å; T231-L508 VanDerWaalsContact CG2-CD1 3.45Å; A500-L508 HydrophobicContact CB-CD2 4.09Å; T501-L508 CarbonylContact O-C 3.56Å; T501-L508 VanDerWaalsContact O-CA 3.3Å; T501-L508 WeakPolarHBondContact O-CA 3.48Å; L508-L510 HydrophobicContact CD2-CD2 3.8Å; L508-L510 HydrophobicContact CD2-CG 3.99Å
509K88.8Confident85.7Confident31 Ų3127 Ų2714%0.13513%0.13CC..EExtended strand (participates in β ladder)trans-101.7134.1-178.4-70.7179.7-171.1-179.70110.5L205 H208 V482 A500 T501 W511L205-K509 HydrophobicContact CD1-CB 3.64Å; L205-K509 HydrophobicContact CD1-CD 4.08Å; L205-K509 HydrophobicContact CD1-CG 3.91Å; H208-K509 HydrophobicContact CB-CG 4.09Å; V482-K509 WeakPolarHBondContact O-CD 3.05Å; V482-K509 WeakPolarHBondContact O-CE 3.49Å; V482-K509 PolarHBondContact O-NZ 3.22Å; A500-K509 CarbonylContact C-O 3.57Å; A500-K509 WeakPolarHBondContact CA-O 3.29Å; T501-K509 PolarHBondContact N-O 3.37Å; T501-K509 PolarHBondContact O-N 3.08Å; T501-K509 PolarHBondContact OG1-O 3.5Å; K509-W511 HydrophobicContact CB-CZ2 4.15Å; K509-W511 HydrophobicContact CD-CZ2 3.92Å
510L88.2Confident85.5Confident0 Ų028.8 Ų28.80%014%0.139CC..EExtended strand (participates in β ladder)trans-108.1122.2177.8-66.2176000109.6S206 R207 F222 L229 F243 L498 I499 A500 L508S206-L510 WeakPolarHBondContact CB-O 3.32Å; S206-L510 PolarHBondContact N-O 2.92Å; S206-L510 WeakPolarHBondContact OG-CB 3.17Å; S206-L510 PolarHBondContact OG-O 3.4Å; R207-L510 HydrophobicContact CB-CB 4.42Å; R207-L510 HydrophobicContact CB-CD1 4.41Å; R207-L510 PolarHBondContact N-O 3.24Å; R207-L510 PolarHBondContact O-N 3.45Å; F222-L510 HydrophobicContact CZ-CD2 4.15Å; L229-L510 HydrophobicContact CD2-CD2 4.08Å; F243-L510 HydrophobicContact CB-CD1 4.03Å; F243-L510 WeakPolarHBondContact O-CD1 3.27Å; L498-L510 HydrophobicContact CD1-CB 4.06Å; L498-L510 HydrophobicContact CD1-CD2 4.5Å; I499-L510 CarbonylContact O-C 3.56Å; I499-L510 WeakPolarHBondContact O-CA 3.49Å; A500-L510 HydrophobicContact CB-CD2 3.58Å; L508-L510 HydrophobicContact CD2-CD2 3.8Å; L508-L510 HydrophobicContact CD2-CG 3.99Å
511W84.9Confident85.3Confident20 Ų2031 Ų318%0.07615%0.149CC..EExtended strand (participates in β ladder)trans-111.1136.3-175.1-55.187.4000110.9P202 Q204 L205 V482 L498 I499 T501 K509P202-W511 HydrophobicContact CB-CB 3.75Å; Q204-W511 WeakPolarHBondContact O-CA 3.36Å; L205-W511 HydrophobicContact CB-CE3 4.06Å; L205-W511 HydrophobicContact CB-CH2 4.24Å; L205-W511 HydrophobicContact CB-CZ3 3.81Å; L205-W511 HydrophobicContact CD1-CD2 4.1Å; L205-W511 HydrophobicContact CD1-CE3 4.25Å; L205-W511 HydrophobicContact CD1-CH2 4.07Å; L205-W511 HydrophobicContact CD1-CZ2 3.87Å; L205-W511 HydrophobicContact CD1-CZ3 4.25Å; V482-W511 HydrophobicContact CB-CZ2 4.12Å; V482-W511 HydrophobicContact CG1-CZ2 3.42Å; V482-W511 VanDerWaalsContact CG1-CZ2 3.42Å; L498-W511 WeakPolarHBondContact CA-O 3.35Å; L498-W511 WeakPolarHBondContact CD1-O 3.31Å; I499-W511 HydrophobicContact CB-CB 4.38Å; I499-W511 PolarHBondContact N-O 3.43Å; I499-W511 PolarHBondContact O-N 2.97Å; T501-W511 PolarHBondContact OG1-NE1 2.75Å; K509-W511 HydrophobicContact CB-CZ2 4.15Å; K509-W511 HydrophobicContact CD-CZ2 3.92Å
512R82.1Confident84.9Confident97 Ų9733.6 Ų33.637%0.36616%0.162SC..EExtended strand (participates in β ladder)trans-120.2152.5173.8-74.2-174.2178.9-166.5-3.4110.1T203 Q204 L498T203-R512 PolarHBondContact N-O 3.21Å; Q204-R512 PolarHBondContact N-O 3.4Å; Q204-R512 PolarHBondContact O-N 3.39Å; L498-R512 HydrophobicContact CD1-CG 3.76Å
513P73.4Confident84.4Confident62 Ų6234.7 Ų34.740%0.40317%0.169SC..  trans-62.3017528.6-37.6000112.9R200 F201 T203 N497R200-P513 HydrophobicContact CB-CB 3.49Å; R200-P513 VanDerWaalsContact CB-CB 3.49Å; R200-P513 HydrophobicContact CB-CG 4.2Å; F201-P513 WeakPolarHBondContact O-CA 3.4Å; F201-P513 VanDerWaalsContact O-CB 3.31Å; F201-P513 WeakPolarHBondContact O-CB 3.29Å; T203-P513 WeakPolarHBondContact CB-OXT 3.48Å; T203-P513 WeakPolarHBondContact CG2-OXT 3.16Å; T203-P513 PolarHBondContact OG1-OXT 3.39Å; N497-P513 HydrophobicContact CB-CG 3.69Å; N497-P513 WeakPolarHBondContact O-CD 3.49Å

Retrieved 513 of 513 residues in 915.8 ms (Link to these results)

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