A0A087YJT9_POEFO Loading...

Inosine-5'-monophosphate dehydrogenase

Catalyzes the conversion of inosine 5'-phosphate (IMP) to xanthosine 5'-phosphate (XMP), the first committed and rate-limiting step in the de novo synthesis of guanine nucleotides, and therefore plays an important role in the regulation of cell growth.

AlphaFold DB , UniProt , Accession A0A087YJT9, Species POEFO (Poecilia formosa, Amazon molly), Gene IMPDH, Length 507 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
1M46.5Very low56.6Low183 Ų183122.5 Ų122.590%0.90158%0.584SS**  0107.30-154.5-175.6-68.200107.2H3M1-H3 PolarHBondContact O-N 3.04Å; M1-H3 PolarHBondContact O-ND1 3.14Å
2V43.9Very low59.8Low151 Ų151112.6 Ų112.692%0.91554%0.537SS*.  trans-77.3111.8178.8-177.90000107.3
3H54.1Low62.6Low73 Ų73106.5 Ų106.534%0.33851%0.512SS..  trans-83132.4-177.3-75.464.2000109.9M1 F5M1-H3 PolarHBondContact O-N 3.04Å; M1-H3 PolarHBondContact O-ND1 3.14Å; H3-F5 WeakPolarHBondContact O-CD2 3.47Å; H3-F5 PolarHBondContact O-N 3.37Å; H3-F5 VanDerWaalsContact O-N 3.15Å
4N48.6Very low65Low116 Ų11699.1 Ų99.162%0.6248%0.477SS*.  trans-73.3104.7171.3-161.4-13.7000107.9Y6 F7N4-Y6 PolarHBondContact O-N 2.89Å; N4-F7 HydrophobicContact CB-CE2 4.33Å
5F51.6Low67.2Low136 Ų13694.5 Ų94.560%0.59646%0.462SS*.THydrogen-bonded Turntrans-68.1-0.3-168.3-82.8-87.4000115.1H3 F7 Q429H3-F5 WeakPolarHBondContact O-CD2 3.47Å; H3-F5 PolarHBondContact O-N 3.37Å; H3-F5 VanDerWaalsContact O-N 3.15Å; F5-F7 PolarHBondContact O-N 2.84Å; F5-Q429 PolarHBondContact O-NE2 3.34Å
6Y50.5Low69.2Low216 Ų21688.6 Ų88.685%0.84743%0.433SS*.THydrogen-bonded Turntrans-94.124.5-175.1-94.5-84.9000115.5N4N4-Y6 PolarHBondContact O-N 2.89Å
7F57.8Low70.9Confident105 Ų10583.5 Ų83.546%0.46141%0.408SS..  trans-106.794.7170.5-68.2-76.9000109.9N4 F5 L9N4-F7 HydrophobicContact CB-CE2 4.33Å; F5-F7 PolarHBondContact O-N 2.84Å; F7-L9 PolarHBondContact O-N 2.75Å; F7-L9 VanDerWaalsContact O-N 3.12Å
8M54.6Low72.4Confident112 Ų11285.9 Ų85.955%0.55241%0.412SS*.  trans-64.6114.5165.7-167.5173.27500107.2K10M8-K10 HydrophobicContact CE-CD 4.45Å; M8-K10 HydrophobicContact CE-CG 3.99Å; M8-K10 WeakPolarHBondContact O-CG 3.32Å; M8-K10 PolarHBondContact O-N 3.33Å
9L62.6Low73.7Confident7 Ų788.7 Ų88.74%0.03742%0.422CS..  trans-57.9100.7171.6-17697.1000108.3F7 L12 Q425 C428 A433 R434 S435F7-L9 PolarHBondContact O-N 2.75Å; F7-L9 VanDerWaalsContact O-N 3.12Å; L9-L12 HydrophobicContact CD2-CD2 3.33Å; L9-L12 HydrophobicContact CD2-CG 4.25Å; L9-Q425 HydrophobicContact CB-CB 4.37Å; L9-Q425 HydrophobicContact CD2-CG 4.19Å; L9-Q425 WeakPolarHBondContact O-CG 3.45Å; L9-Q425 PolarHBondContact O-NE2 3.45Å; L9-Q425 VanDerWaalsContact O-NE2 3.11Å; L9-C428 HydrophobicContact CD2-CB 3.85Å; L9-A433 VanDerWaalsContact CD1-O 3.24Å; L9-A433 WeakPolarHBondContact CD1-O 3.41Å; L9-R434 VanDerWaalsContact CD1-CA 3.44Å; L9-R434 WeakPolarHBondContact CD1-O 3.41Å; L9-S435 VanDerWaalsContact CD1-N 3.35Å
10K68.3Low74.9Confident166 Ų16685.4 Ų85.472%0.72241%0.406SS*.  trans-83.6-25.6179.5-69.5-172.9-179.6-179.40112.2M8M8-K10 HydrophobicContact CE-CD 4.45Å; M8-K10 HydrophobicContact CE-CG 3.99Å; M8-K10 WeakPolarHBondContact O-CG 3.32Å; M8-K10 PolarHBondContact O-N 3.33Å
11D83.8Confident76Confident82 Ų8285 Ų8544%0.43941%0.41SS..  trans-109.9113.9-170.2-167.913.9000113.1T13D11-T13 WeakPolarHBondContact OD1-CB 3.42Å; D11-T13 PolarHBondContact OD1-N 2.78Å; D11-T13 PolarHBondContact OD1-OG1 3.32Å
12L95.2Very high78.5Confident4 Ų476.2 Ų76.22%0.02137%0.367CS..  trans-103.816.9172.4-68.5-176.9000112.3L9 S14 K23 I421 I424 Q425 L436L9-L12 HydrophobicContact CD2-CD2 3.33Å; L9-L12 HydrophobicContact CD2-CG 4.25Å; L12-S14 PolarHBondContact O-N 3.2Å; L12-K23 CarbonylContact C-O 3.58Å; L12-K23 VanDerWaalsContact C-O 3.24Å; L12-I421 HydrophobicContact CD1-CB 4.27Å; L12-I421 HydrophobicContact CD1-CG1 4.41Å; L12-I421 HydrophobicContact CD1-CG2 3.82Å; L12-I424 HydrophobicContact CD1-CB 4.2Å; L12-I424 HydrophobicContact CD1-CG2 4.16Å; L12-I424 HydrophobicContact CD2-CB 4.4Å; L12-I424 HydrophobicContact CD2-CG2 3.6Å; L12-Q425 HydrophobicContact CD1-CG 4.04Å; L12-Q425 HydrophobicContact CD2-CG 4.18Å; L12-Q425 HydrophobicContact CG-CG 4.01Å; L12-L436 HydrophobicContact CB-CD1 4.39Å; L12-L436 HydrophobicContact CD2-CD1 4.33Å; L12-L436 HydrophobicContact CD2-CD2 4.17Å; L12-L436 HydrophobicContact CD2-CG 4.23Å; L12-L436 VanDerWaalsContact O-CD1 3.3Å; L12-L436 WeakPolarHBondContact O-CD1 3.2Å
13T96.3Very high80.9Confident34 Ų3473.8 Ų73.821%0.20934%0.344CS..  trans-55.6129.5-179.6-65.60000110.6D11 T21 L22 K23D11-T13 WeakPolarHBondContact OD1-CB 3.42Å; D11-T13 PolarHBondContact OD1-N 2.78Å; D11-T13 PolarHBondContact OD1-OG1 3.32Å; T13-T21 HydrophobicContact CG2-CG2 3.21Å; T13-L22 CarbonylContact C-O 3.49Å; T13-L22 VanDerWaalsContact CA-O 3.26Å; T13-L22 WeakPolarHBondContact CA-O 3.37Å; T13-K23 PolarHBondContact N-O 3.02Å
14S97.1Very high83Confident2 Ų270.3 Ų70.31%0.01433%0.328CS..EExtended strand (participates in β ladder)trans-150.3147-177.6-152.60000112.2L12 L16 L22 S343 R440L12-S14 PolarHBondContact O-N 3.2Å; S14-L16 PolarHBondContact O-N 3Å; S14-L22 PolarHBondContact N-O 2.69Å; S14-L22 PolarHBondContact O-N 3.19Å; S14-S343 VanDerWaalsContact CB-O 3.28Å; S14-S343 WeakPolarHBondContact CB-O 3.42Å; S14-S343 PolarHBondContact OG-O 3.45Å; S14-R440 PolarHBondContact OG-NH1 2.95Å
15A97.9Very high85.3Confident31 Ų3164.8 Ų64.826%0.25630%0.298SS..EExtended strand (participates in β ladder)trans-73.4126.1-179.300000111.2P321 S343A15-P321 HydrophobicContact CB-CB 4.42Å; A15-P321 HydrophobicContact CB-CG 3.85Å; A15-S343 WeakPolarHBondContact O-CB 3.3Å
16L98.6Very high87.6Confident0 Ų058.3 Ų58.30%027%0.27CS..SBendtrans-81.9-46.4167.517466.8000110.5S14 I20 L22 I27 I49 V231 I261 A281 I323S14-L16 PolarHBondContact O-N 3Å; L16-I20 HydrophobicContact CB-CB 4.42Å; L16-I20 HydrophobicContact CB-CG2 4.14Å; L16-I20 HydrophobicContact CD2-CB 4.49Å; L16-I20 HydrophobicContact CD2-CG2 3.91Å; L16-I20 PolarHBondContact N-O 2.98Å; L16-L22 HydrophobicContact CB-CD1 4.06Å; L16-L22 HydrophobicContact CB-CG 3.99Å; L16-L22 HydrophobicContact CD1-CD1 4.32Å; L16-L22 HydrophobicContact CD2-CD1 4.39Å; L16-L22 HydrophobicContact CD2-CD2 4.46Å; L16-I27 HydrophobicContact CD1-CD1 3.28Å; L16-I27 HydrophobicContact CD1-CG1 4.26Å; L16-I49 HydrophobicContact CD1-CG2 4.49Å; L16-I49 HydrophobicContact CD2-CD1 3.9Å; L16-I49 HydrophobicContact CD2-CG2 4.02Å; L16-V231 HydrophobicContact CD2-CG1 4.14Å; L16-I261 HydrophobicContact CD1-CD1 4.08Å; L16-I261 HydrophobicContact CG-CD1 4.3Å; L16-A281 WeakPolarHBondContact O-CB 3.38Å; L16-I323 HydrophobicContact CD1-CD1 3.75Å
17T98.7Very high89.8Confident1 Ų148.1 Ų48.11%0.00623%0.23CC..SBendtrans-134.5179.9176.9760000109.4K19 I20 V231 Q259 I261 D280 A281T17-K19 PolarHBondContact O-N 3.46Å; T17-K19 PolarHBondContact OG1-N 3.27Å; T17-I20 PolarHBondContact N-O 2.99Å; T17-I20 VanDerWaalsContact N-O 3.1Å; T17-I20 WeakPolarHBondContact OG1-CB 3.35Å; T17-I20 PolarHBondContact OG1-N 3.21Å; T17-V231 HydrophobicContact CG2-CG2 3.93Å; T17-Q259 HydrophobicContact CG2-CB 4.04Å; T17-Q259 PolarHBondContact OG1-OE1 3.12Å; T17-I261 HydrophobicContact CG2-CD1 4.35Å; T17-I261 HydrophobicContact CG2-CG1 4.09Å; T17-D280 WeakPolarHBondContact CA-O 3.39Å; T17-A281 HydrophobicContact CG2-CB 4.22Å
18R97.1Very high91.8Very high128 Ų12843.1 Ų43.148%0.48321%0.208SC..SBendtrans-53.2-36.9174.2-68.6176.6-174.6-126.36.7113.2D280R18-D280 PolarHBondContact N-O 2.94Å; R18-D280 VanDerWaalsContact N-O 3.11Å
19K97.7Very high93.8Very high138 Ų13838 Ų3860%0.618%0.183SC*.SBendtrans-105.3-29.7-178.7-61.2-174.1-178.7176.80114T17 D257 Q259T17-K19 PolarHBondContact O-N 3.46Å; T17-K19 PolarHBondContact OG1-N 3.27Å; K19-D257 IonicContact NZ-OD1 3.57Å; K19-D257 PolarHBondContact NZ-OD1 3.01Å; K19-Q259 HydrophobicContact CB-CG 4.43Å
20I98.4Very high95.5Very high22 Ų2237.7 Ų37.711%0.11318%0.181CC..  trans-95127.3-174.7-63.2169.4000110.4L16 T17 L22 L206 D230 V231 Q259L16-I20 HydrophobicContact CB-CB 4.42Å; L16-I20 HydrophobicContact CB-CG2 4.14Å; L16-I20 HydrophobicContact CD2-CB 4.49Å; L16-I20 HydrophobicContact CD2-CG2 3.91Å; L16-I20 PolarHBondContact N-O 2.98Å; T17-I20 PolarHBondContact N-O 2.99Å; T17-I20 VanDerWaalsContact N-O 3.1Å; T17-I20 WeakPolarHBondContact OG1-CB 3.35Å; T17-I20 PolarHBondContact OG1-N 3.21Å; I20-L22 HydrophobicContact CG2-CD2 4.43Å; I20-L206 HydrophobicContact CG2-CD1 3.73Å; I20-D230 HydrophobicContact CD1-CB 4.32Å; I20-D230 WeakPolarHBondContact CD1-O 3.42Å; I20-V231 HydrophobicContact CD1-CB 4.02Å; I20-Q259 HydrophobicContact CD1-CB 3.92Å; I20-Q259 HydrophobicContact CD1-CG 3.72Å; I20-Q259 HydrophobicContact CG1-CG 4.03Å
21T97.9Very high96.7Very high77 Ų7730.4 Ų30.447%0.47215%0.15SC..EExtended strand (participates in β ladder)trans-120.1136.4176.9-63.60000109.8T13T13-T21 HydrophobicContact CG2-CG2 3.21Å
22L98.1Very high97.1Very high0 Ų027.4 Ų27.40%013%0.134CC..EExtended strand (participates in β ladder)trans-104.7152.4177.4-57.6178.8000110.1T13 S14 L16 I20 T24 I27 I49 L206 T344T13-L22 CarbonylContact C-O 3.49Å; T13-L22 VanDerWaalsContact CA-O 3.26Å; T13-L22 WeakPolarHBondContact CA-O 3.37Å; S14-L22 PolarHBondContact N-O 2.69Å; S14-L22 PolarHBondContact O-N 3.19Å; L16-L22 HydrophobicContact CB-CD1 4.06Å; L16-L22 HydrophobicContact CB-CG 3.99Å; L16-L22 HydrophobicContact CD1-CD1 4.32Å; L16-L22 HydrophobicContact CD2-CD1 4.39Å; L16-L22 HydrophobicContact CD2-CD2 4.46Å; I20-L22 HydrophobicContact CG2-CD2 4.43Å; L22-T24 VanDerWaalsContact C-N 3.32Å; L22-T24 VanDerWaalsContact CB-O 3.22Å; L22-T24 WeakPolarHBondContact CB-O 3.41Å; L22-I27 HydrophobicContact CD1-CG1 4.29Å; L22-I49 HydrophobicContact CD1-CB 4.27Å; L22-I49 HydrophobicContact CD1-CG2 3.73Å; L22-I49 HydrophobicContact CD2-CB 4.04Å; L22-I49 HydrophobicContact CD2-CG2 4.29Å; L22-L206 HydrophobicContact CD2-CD1 3.98Å; L22-T344 HydrophobicContact CD1-CG2 4.43Å
23K95.4Very high97Very high99 Ų9927.9 Ų27.943%0.4314%0.137SC..SBendtrans-77.6-22.4174.4-64.7-56.9-173.5-179.20112.6L12 T13 G47 L196L12-K23 CarbonylContact C-O 3.58Å; L12-K23 VanDerWaalsContact C-O 3.24Å; T13-K23 PolarHBondContact N-O 3.02Å; K23-G47 PolarHBondContact N-O 3.16Å; K23-L196 HydrophobicContact CB-CB 4.24Å; K23-L196 VanDerWaalsContact CB-O 3.29Å; K23-L196 WeakPolarHBondContact CB-O 3.48Å; K23-L196 VanDerWaalsContact CG-O 3.24Å; K23-L196 WeakPolarHBondContact CG-O 3.29Å
24T96.9Very high97Very high1 Ų126.3 Ų26.31%0.00613%0.127CC..SBendtrans-134.2145.1173.771.20000109.5L22 L26 M46 G47 G48 L196 I421L22-T24 VanDerWaalsContact C-N 3.32Å; L22-T24 VanDerWaalsContact CB-O 3.22Å; L22-T24 WeakPolarHBondContact CB-O 3.41Å; T24-L26 PolarHBondContact O-N 2.86Å; T24-M46 WeakPolarHBondContact CG2-O 3.47Å; T24-M46 PolarHBondContact OG1-O 3.31Å; T24-G47 PolarHBondContact N-O 3.06Å; T24-G47 PolarHBondContact OG1-O 2.9Å; T24-G48 PolarHBondContact OG1-N 2.83Å; T24-L196 HydrophobicContact CG2-CD1 4.42Å; T24-I421 HydrophobicContact CG2-CD1 3.65Å; T24-I421 HydrophobicContact CG2-CG1 3.86Å
25P97.7Very high97Very high0 Ų026.2 Ų26.20%013%0.127CC..SBendtrans-82.533-17236.3-40.6000112.6L338 T344 V345 I424 L436P25-L338 HydrophobicContact CB-CD1 4.3Å; P25-L338 HydrophobicContact CB-CD2 3.93Å; P25-L338 HydrophobicContact CG-CD1 3.78Å; P25-L338 HydrophobicContact CG-CD2 4.33Å; P25-T344 HydrophobicContact CB-CG2 4.31Å; P25-T344 WeakPolarHBondContact O-CA 3.41Å; P25-V345 WeakPolarHBondContact O-CG2 3.25Å; P25-V345 PolarHBondContact O-N 3.36Å; P25-I424 HydrophobicContact CG-CD1 4.47Å; P25-L436 HydrophobicContact CB-CD1 3.93Å; P25-L436 HydrophobicContact CG-CD1 3.77Å
26L98.3Very high97Very high0 Ų027.2 Ų27.20%013%0.126CC..EExtended strand (participates in β ladder)trans-114.5125.4-166.4-58.1178.8000111.3T24 M43 G48 I49 V334 V345 M347 V417 L420 I421 I424T24-L26 PolarHBondContact O-N 2.86Å; L26-M43 HydrophobicContact CB-CE 3.85Å; L26-G48 WeakPolarHBondContact O-CA 3.39Å; L26-I49 PolarHBondContact O-N 3.41Å; L26-V334 HydrophobicContact CD2-CG1 4.3Å; L26-V345 HydrophobicContact CD2-CG2 3.79Å; L26-M347 HydrophobicContact CB-CE 3.8Å; L26-M347 HydrophobicContact CD1-CE 4.48Å; L26-M347 HydrophobicContact CD2-CE 3.76Å; L26-M347 HydrophobicContact CD2-SD 4.01Å; L26-M347 HydrophobicContact CG-CE 4.21Å; L26-V417 HydrophobicContact CD1-CG1 3.83Å; L26-L420 HydrophobicContact CD1-CB 4.11Å; L26-L420 HydrophobicContact CD1-CD1 4.31Å; L26-I421 HydrophobicContact CD1-CG1 4.31Å; L26-I424 HydrophobicContact CD2-CD1 3.99Å
27I98.6Very high97Very high1 Ų127.3 Ų27.31%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-127.9134.9-176.8-50.2174.4000109.6L16 L22 I49 I51 I323 T344 V345 M346 M347L16-I27 HydrophobicContact CD1-CD1 3.28Å; L16-I27 HydrophobicContact CD1-CG1 4.26Å; L22-I27 HydrophobicContact CD1-CG1 4.29Å; I27-I49 WeakPolarHBondContact CA-O 3.5Å; I27-I49 HydrophobicContact CB-CG2 4.35Å; I27-I49 HydrophobicContact CG1-CG2 3.95Å; I27-I49 HydrophobicContact CG2-CG2 3.92Å; I27-I51 HydrophobicContact CG2-CD1 4.11Å; I27-I51 HydrophobicContact CG2-CG1 3.71Å; I27-I323 HydrophobicContact CD1-CD1 3.94Å; I27-I323 HydrophobicContact CD1-CG1 4.39Å; I27-I323 HydrophobicContact CD1-CG2 3.79Å; I27-T344 HydrophobicContact CD1-CG2 4.34Å; I27-T344 VanDerWaalsContact CD1-OG1 3.22Å; I27-T344 WeakPolarHBondContact CD1-OG1 3.35Å; I27-V345 WeakPolarHBondContact CB-O 3.48Å; I27-V345 PolarHBondContact N-O 2.9Å; I27-M346 HydrophobicContact CB-CB 4.31Å; I27-M346 HydrophobicContact CB-CG 4.49Å; I27-M346 HydrophobicContact CG2-CE 3.73Å; I27-M346 HydrophobicContact CG2-CG 4.35Å; I27-M346 CarbonylContact O-C 3.57Å; I27-M346 WeakPolarHBondContact O-CA 3.41Å; I27-M347 PolarHBondContact O-N 2.93Å
28S98.4Very high96.8Very high0 Ų030.1 Ų30.10%015%0.147CC..EExtended strand (participates in β ladder)trans-85.9135.7170.572.10000111.7T35 I49 G50 I51S28-T35 WeakPolarHBondContact CB-OG1 3.45Å; S28-T35 WeakPolarHBondContact OG-CG2 3.35Å; S28-T35 PolarHBondContact OG-OG1 3.5Å; S28-I49 PolarHBondContact N-O 2.62Å; S28-I49 VanDerWaalsContact N-O 3.13Å; S28-G50 WeakPolarHBondContact OG-CA 3.49Å; S28-I51 PolarHBondContact O-N 2.85Å
29S97.8Very high96.8Very high4 Ų424 Ų243%0.02812%0.124CC..  trans-69.2144.6-174.4-164.80000112.6M31 T35 M347S29-M31 PolarHBondContact O-N 3.13Å; S29-T35 WeakPolarHBondContact O-CB 3.42Å; S29-T35 PolarHBondContact O-OG1 3.39Å; S29-M347 PolarHBondContact N-O 2.99Å
30P97.2Very high96.9Very high1 Ų117.5 Ų17.51%0.00610%0.095CC..SBendtrans-75.473.117831.3-35.6000112.3I51 A210 M346P30-I51 VanDerWaalsContact CA-O 3.28Å; P30-I51 WeakPolarHBondContact CA-O 3.29Å; P30-I51 HydrophobicContact CB-CB 4.06Å; P30-I51 HydrophobicContact CB-CG2 3.75Å; P30-I51 HydrophobicContact CG-CB 4.46Å; P30-I51 HydrophobicContact CG-CG2 4.19Å; P30-A210 HydrophobicContact CB-CB 3.51Å; P30-A210 HydrophobicContact CG-CB 4.06Å; P30-M346 VanDerWaalsContact CD-SD 3.55Å
31M94.8Very high96.8Very high14 Ų1417.5 Ų17.57%0.06910%0.095CC..  trans-128.4145.1179-60.1171.858.800110.7S29 T33 V34 T35 I291 Y372 R373 M375S29-M31 PolarHBondContact O-N 3.13Å; M31-T33 PolarHBondContact O-N 3.03Å; M31-T33 VanDerWaalsContact O-N 3.1Å; M31-V34 HydrophobicContact CB-CB 4.11Å; M31-V34 HydrophobicContact CB-CG2 3.89Å; M31-V34 HydrophobicContact CE-CG2 4.46Å; M31-V34 PolarHBondContact O-N 2.94Å; M31-V34 HydrophobicContact SD-CG2 4.1Å; M31-T35 PolarHBondContact O-N 3.21Å; M31-I291 HydrophobicContact CE-CD1 3.5Å; M31-I291 VanDerWaalsContact CE-CD1 3.5Å; M31-Y372 HydrophobicContact CE-CD2 4.35Å; M31-Y372 HydrophobicContact CE-CE2 3.46Å; M31-Y372 VanDerWaalsContact CE-CE2 3.46Å; M31-Y372 HydrophobicContact SD-CE2 4.25Å; M31-R373 WeakPolarHBondContact CE-O 3.27Å; M31-M375 HydrophobicContact CB-SD 4.14Å; M31-M375 HydrophobicContact CG-CG 4.17Å; M31-M375 HydrophobicContact CG-SD 4.29Å
32D91.4Very high96.8Very high19 Ų1914 Ų1410%0.1028%0.075CC..THydrogen-bonded Turntrans-67.4-6.8179.765.14.1000115H53 N55 P358 R373D32-H53 VanDerWaalsContact CA-CD2 3.46Å; D32-H53 WeakPolarHBondContact CA-CD2 3.44Å; D32-N55 HydrophobicContact CB-CB 4.44Å; D32-N55 PolarHBondContact OD2-ND2 3.03Å; D32-P358 WeakPolarHBondContact O-CG 3.43Å; D32-R373 IonicContact OD1-NE 3.19Å; D32-R373 PolarHBondContact OD1-NE 3.39Å; D32-R373 IonicContact OD2-CZ 3.95Å; D32-R373 VanDerWaalsContact OD2-CZ 3.32Å; D32-R373 IonicContact OD2-NE 3.89Å; D32-R373 PolarHBondContact OD2-NE 3.21Å; D32-R373 IonicContact OD2-NH2 3.69Å; D32-R373 PolarHBondContact OD2-NH2 3.43Å
33T92.6Very high96.8Very high14 Ų1414.1 Ų14.19%0.0868%0.075CC..THydrogen-bonded Turntrans-111.89173.945.90000112.5M31 Y372 R373M31-T33 PolarHBondContact O-N 3.03Å; M31-T33 VanDerWaalsContact O-N 3.1Å; T33-Y372 WeakPolarHBondContact OG1-CD2 3.49Å; T33-R373 HydrophobicContact CG2-CG 3.91Å; T33-R373 PolarHBondContact OG1-N 2.96Å
34V95.9Very high96.9Very high0 Ų09.4 Ų9.40%06%0.055CC..THydrogen-bonded Turntrans-131.4-54.6-177.3-174.70000112M31 M39 L351 A352 P358 Y372M31-V34 HydrophobicContact CB-CB 4.11Å; M31-V34 HydrophobicContact CB-CG2 3.89Å; M31-V34 HydrophobicContact CE-CG2 4.46Å; M31-V34 PolarHBondContact O-N 2.94Å; M31-V34 HydrophobicContact SD-CG2 4.1Å; V34-M39 WeakPolarHBondContact O-CB 3.36Å; V34-M39 VanDerWaalsContact O-CG 3.32Å; V34-M39 WeakPolarHBondContact O-CG 3.5Å; V34-L351 HydrophobicContact CG1-CB 4.25Å; V34-A352 HydrophobicContact CG2-CB 4.35Å; V34-P358 VanDerWaalsContact C-CD 3.41Å; V34-P358 VanDerWaalsContact O-CD 3.27Å; V34-P358 WeakPolarHBondContact O-CD 3.39Å; V34-Y372 HydrophobicContact CG2-CD2 4.37Å; V34-Y372 HydrophobicContact CG2-CE2 3.71Å
35T98.3Very high96.8Very high0 Ų09.7 Ų9.70%06%0.056CC..  trans-127.6103.9-165.4-48.30000114.2S28 S29 M31 M39 A40 I51 I52 H53S28-T35 WeakPolarHBondContact CB-OG1 3.45Å; S28-T35 WeakPolarHBondContact OG-CG2 3.35Å; S28-T35 PolarHBondContact OG-OG1 3.5Å; S29-T35 WeakPolarHBondContact O-CB 3.42Å; S29-T35 PolarHBondContact O-OG1 3.39Å; M31-T35 PolarHBondContact O-N 3.21Å; T35-M39 HydrophobicContact CG2-CB 4.3Å; T35-M39 HydrophobicContact CG2-CG 4.13Å; T35-A40 HydrophobicContact CG2-CB 4.26Å; T35-I51 VanDerWaalsContact CB-O 3.23Å; T35-I51 WeakPolarHBondContact CB-O 3.44Å; T35-I51 VanDerWaalsContact CG2-O 3.22Å; T35-I51 WeakPolarHBondContact CG2-O 3.32Å; T35-I52 HydrophobicContact CG2-CD1 4.32Å; T35-H53 PolarHBondContact O-CD2 3.29Å
36E97.8Very high96.7Very high52 Ų5211 Ų1124%0.2436%0.062CC..SBendtrans-117.6-171.1158-74.6-174.1168.200109.3S38 M39 A40 H53 P358E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 3.23Å; E36-M39 PolarHBondContact O-N 2.9Å; E36-A40 PolarHBondContact O-N 3.05Å; E36-H53 IonicContact OE1-NE2 3.12Å; E36-P358 HydrophobicContact CB-CB 4.48Å; E36-P358 HydrophobicContact CG-CB 4.01Å; E36-P358 HydrophobicContact CG-CG 4.14Å
37S97.3Very high96.6Very high2 Ų211 Ų111%0.0146%0.062CC..Hα-helixtrans-53.6-40.7-175.853.30000113.6M39 A40 I41 E64 R67S37-M39 PolarHBondContact O-N 3.11Å; S37-A40 PolarHBondContact O-N 2.86Å; S37-I41 WeakPolarHBondContact O-CB 3.34Å; S37-I41 WeakPolarHBondContact O-CD1 3.45Å; S37-I41 WeakPolarHBondContact O-CG1 3.49Å; S37-I41 PolarHBondContact O-N 3.5Å; S37-E64 WeakPolarHBondContact CA-OE2 3.34Å; S37-E64 WeakPolarHBondContact CB-OE2 3.46Å; S37-E64 PolarHBondContact N-OE2 3.22Å; S37-E64 PolarHBondContact OG-OE2 3.15Å; S37-R67 PolarHBondContact OG-NE 3.43Å; S37-R67 PolarHBondContact OG-NH1 3.31Å
38S95.5Very high96.6Very high61 Ų6110.9 Ų10.943%0.4276%0.062SC..Hα-helixtrans-59-49.1178.5-62.50000112.6E36 A42E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 3.23Å; S38-A42 WeakPolarHBondContact O-CB 3.31Å; S38-A42 PolarHBondContact O-N 3.09Å; S38-A42 VanDerWaalsContact O-N 3.08Å
39M97.9Very high96.6Very high0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-65.5-44.2175.5176.264.37100111V34 T35 E36 S37 I41 A42 M43 L351 T354 E356 A357 V413V34-M39 WeakPolarHBondContact O-CB 3.36Å; V34-M39 VanDerWaalsContact O-CG 3.32Å; V34-M39 WeakPolarHBondContact O-CG 3.5Å; T35-M39 HydrophobicContact CG2-CB 4.3Å; T35-M39 HydrophobicContact CG2-CG 4.13Å; E36-M39 PolarHBondContact O-N 2.9Å; S37-M39 PolarHBondContact O-N 3.11Å; M39-I41 PolarHBondContact O-N 3.47Å; M39-A42 PolarHBondContact O-N 3.13Å; M39-M43 HydrophobicContact CG-CG 4.17Å; M39-M43 WeakPolarHBondContact O-CB 3.38Å; M39-M43 VanDerWaalsContact O-CG 3.3Å; M39-M43 WeakPolarHBondContact O-CG 3.24Å; M39-M43 PolarHBondContact O-N 3.29Å; M39-M43 HydrophobicContact SD-CG 3.74Å; M39-M43 HydrophobicContact SD-SD 4.2Å; M39-L351 HydrophobicContact CE-CB 4.06Å; M39-L351 HydrophobicContact SD-CD1 4.34Å; M39-T354 VanDerWaalsContact CE-OG1 3.25Å; M39-T354 WeakPolarHBondContact CE-OG1 3.46Å; M39-E356 HydrophobicContact CE-CB 4.48Å; M39-A357 HydrophobicContact CE-CB 4.04Å; M39-V413 HydrophobicContact CE-CG1 4.15Å; M39-V413 HydrophobicContact SD-CG1 4.01Å; M39-V413 HydrophobicContact SD-CG2 4.32Å
40A98.4Very high96.6Very high0 Ų010.7 Ų10.70%06%0.061CC..Hα-helixtrans-63.1-42.2-178.600000112.5T35 E36 S37 A44 I52 V68T35-A40 HydrophobicContact CG2-CB 4.26Å; E36-A40 PolarHBondContact O-N 3.05Å; S37-A40 PolarHBondContact O-N 2.86Å; A40-A44 VanDerWaalsContact O-CB 3.28Å; A40-A44 WeakPolarHBondContact O-CB 3.49Å; A40-A44 PolarHBondContact O-N 2.98Å; A40-I52 HydrophobicContact CB-CD1 3.74Å; A40-V68 HydrophobicContact CB-CG2 3.71Å
41I97.3Very high96.7Very high22 Ų2210.7 Ų10.711%0.1136%0.06CC..Hα-helixtrans-59.8-51.1172.9-72.1159.5000110S37 M39 M43 A44 L45 V68 F71 L205S37-I41 WeakPolarHBondContact O-CB 3.34Å; S37-I41 WeakPolarHBondContact O-CD1 3.45Å; S37-I41 WeakPolarHBondContact O-CG1 3.49Å; S37-I41 PolarHBondContact O-N 3.5Å; M39-I41 PolarHBondContact O-N 3.47Å; I41-M43 PolarHBondContact O-N 3.02Å; I41-A44 PolarHBondContact O-N 2.77Å; I41-L45 HydrophobicContact CG2-CD1 3.75Å; I41-L45 HydrophobicContact CG2-CG 4.31Å; I41-L45 WeakPolarHBondContact O-CB 3.24Å; I41-L45 VanDerWaalsContact O-CG 3.28Å; I41-L45 WeakPolarHBondContact O-CG 3.21Å; I41-L45 PolarHBondContact O-N 2.76Å; I41-V68 HydrophobicContact CG1-CB 4.27Å; I41-V68 HydrophobicContact CG1-CG1 4.15Å; I41-V68 HydrophobicContact CG1-CG2 4.1Å; I41-F71 HydrophobicContact CD1-CB 3.91Å; I41-F71 HydrophobicContact CD1-CD2 3.64Å; I41-F71 HydrophobicContact CD1-CE2 4.35Å; I41-F71 HydrophobicContact CD1-CG 3.86Å; I41-F71 HydrophobicContact CG1-CB 3.98Å; I41-F71 HydrophobicContact CG1-CD2 4.25Å; I41-F71 HydrophobicContact CG1-CG 4Å; I41-F71 HydrophobicContact CG2-CD1 3.61Å; I41-F71 HydrophobicContact CG2-CD2 3.98Å; I41-F71 HydrophobicContact CG2-CE1 3.64Å; I41-F71 HydrophobicContact CG2-CE2 3.98Å; I41-F71 HydrophobicContact CG2-CG 3.78Å; I41-F71 HydrophobicContact CG2-CZ 3.81Å; I41-L205 HydrophobicContact CG1-CD1 4.48Å; I41-L205 HydrophobicContact CG2-CD1 4.1Å
42A96.6Very high96.9Very high5 Ų510 Ų104%0.0416%0.057CC..Hα-helixtrans-62.4-44.1-177.700000112S38 M39 L45 M46 E356 V413S38-A42 WeakPolarHBondContact O-CB 3.31Å; S38-A42 PolarHBondContact O-N 3.09Å; S38-A42 VanDerWaalsContact O-N 3.08Å; M39-A42 PolarHBondContact O-N 3.13Å; A42-L45 PolarHBondContact O-N 2.92Å; A42-M46 VanDerWaalsContact O-CG 3.27Å; A42-M46 WeakPolarHBondContact O-CG 3.42Å; A42-M46 PolarHBondContact O-N 3.35Å; A42-M46 VanDerWaalsContact O-N 3.07Å; A42-E356 HydrophobicContact CB-CG 4.05Å; A42-V413 HydrophobicContact CB-CG2 3.46Å; A42-V413 VanDerWaalsContact CB-CG2 3.46Å
43M98.2Very high97.2Very high1 Ų19.3 Ų9.31%0.0055%0.053CC..Hα-helixtrans-62.8-44.4176.3-70.7-59-62.100112L26 M39 I41 M46 G47 G48 M347 L351 V417L26-M43 HydrophobicContact CB-CE 3.85Å; M39-M43 HydrophobicContact CG-CG 4.17Å; M39-M43 WeakPolarHBondContact O-CB 3.38Å; M39-M43 VanDerWaalsContact O-CG 3.3Å; M39-M43 WeakPolarHBondContact O-CG 3.24Å; M39-M43 PolarHBondContact O-N 3.29Å; M39-M43 HydrophobicContact SD-CG 3.74Å; M39-M43 HydrophobicContact SD-SD 4.2Å; I41-M43 PolarHBondContact O-N 3.02Å; M43-M46 CarbonylContact O-C 3.58Å; M43-M46 PolarHBondContact O-N 3.02Å; M43-G47 PolarHBondContact O-N 2.88Å; M43-G48 CarbonylContact O-C 3.52Å; M43-G48 WeakPolarHBondContact O-CA 3.45Å; M43-G48 PolarHBondContact O-N 2.9Å; M43-M347 HydrophobicContact CE-CE 4.39Å; M43-L351 HydrophobicContact CE-CD1 4.1Å; M43-L351 HydrophobicContact SD-CD1 3.82Å; M43-L351 HydrophobicContact SD-CD2 4.43Å; M43-V417 HydrophobicContact SD-CG2 3.96Å
44A97.8Very high97.4Very high0 Ų09.3 Ų9.30%05%0.052CC..Hα-helixtrans-63.7-4217800000112A40 I41 M46 G47 A197 S198 L205A40-A44 VanDerWaalsContact O-CB 3.28Å; A40-A44 WeakPolarHBondContact O-CB 3.49Å; A40-A44 PolarHBondContact O-N 2.98Å; I41-A44 PolarHBondContact O-N 2.77Å; A44-M46 VanDerWaalsContact C-N 3.26Å; A44-M46 PolarHBondContact O-N 3.38Å; A44-G47 PolarHBondContact O-N 3.31Å; A44-A197 CarbonylContact O-C 3.37Å; A44-A197 VanDerWaalsContact O-CA 3.28Å; A44-A197 WeakPolarHBondContact O-CA 3.15Å; A44-S198 PolarHBondContact O-N 3.1Å; A44-L205 HydrophobicContact CB-CB 3.94Å; A44-L205 HydrophobicContact CB-CD1 4.31Å; A44-L205 HydrophobicContact CB-CD2 4.07Å; A44-L205 HydrophobicContact CB-CG 4.33Å
45L95.4Very high97.3Very high7 Ų79.5 Ų9.54%0.0375%0.053CC..Hα-helixtrans-60.7-35.2174.5-73.1171.2000112.4I41 A42 G47 F71 Y194 A197 L205I41-L45 HydrophobicContact CG2-CD1 3.75Å; I41-L45 HydrophobicContact CG2-CG 4.31Å; I41-L45 WeakPolarHBondContact O-CB 3.24Å; I41-L45 VanDerWaalsContact O-CG 3.28Å; I41-L45 WeakPolarHBondContact O-CG 3.21Å; I41-L45 PolarHBondContact O-N 2.76Å; A42-L45 PolarHBondContact O-N 2.92Å; L45-G47 PolarHBondContact O-N 2.86Å; L45-F71 HydrophobicContact CD1-CE1 3.95Å; L45-Y194 HydrophobicContact CB-CD1 3.8Å; L45-Y194 HydrophobicContact CB-CD2 4.49Å; L45-Y194 HydrophobicContact CB-CE1 4.2Å; L45-Y194 HydrophobicContact CB-CG 3.96Å; L45-Y194 HydrophobicContact CD1-CD2 4.36Å; L45-Y194 HydrophobicContact CD1-CE2 4.19Å; L45-Y194 HydrophobicContact CD2-CD2 3.86Å; L45-Y194 HydrophobicContact CD2-CE2 4.47Å; L45-Y194 HydrophobicContact CD2-CG 3.93Å; L45-Y194 HydrophobicContact CG-CD2 4.47Å; L45-Y194 HydrophobicContact CG-CG 4.38Å; L45-A197 HydrophobicContact CD2-CB 4.45Å; L45-A197 WeakPolarHBondContact O-CA 3.49Å; L45-A197 PolarHBondContact O-N 3.43Å; L45-L205 HydrophobicContact CD2-CD1 4.2Å; L45-L205 HydrophobicContact CD2-CD2 4.01Å; L45-L205 HydrophobicContact CG-CD1 4.12Å; L45-L205 HydrophobicContact CG-CD2 4.4Å
46M95.5Very high97Very high27 Ų2710.2 Ų10.213%0.1336%0.058CC..THydrogen-bonded Turntrans-84.813.4176.7-58-47.4-73.600113.9T24 A42 M43 A44 G48 Y194 V417 P418T24-M46 WeakPolarHBondContact CG2-O 3.47Å; T24-M46 PolarHBondContact OG1-O 3.31Å; A42-M46 VanDerWaalsContact O-CG 3.27Å; A42-M46 WeakPolarHBondContact O-CG 3.42Å; A42-M46 PolarHBondContact O-N 3.35Å; A42-M46 VanDerWaalsContact O-N 3.07Å; M43-M46 CarbonylContact O-C 3.58Å; M43-M46 PolarHBondContact O-N 3.02Å; A44-M46 VanDerWaalsContact C-N 3.26Å; A44-M46 PolarHBondContact O-N 3.38Å; M46-G48 VanDerWaalsContact C-N 3.3Å; M46-G48 PolarHBondContact O-N 3.04Å; M46-Y194 HydrophobicContact SD-CD1 3.75Å; M46-Y194 HydrophobicContact SD-CE1 3.8Å; M46-V417 HydrophobicContact CB-CB 4.17Å; M46-V417 HydrophobicContact CB-CG1 3.61Å; M46-V417 HydrophobicContact CG-CB 4.25Å; M46-V417 HydrophobicContact CG-CG1 4.23Å; M46-P418 HydrophobicContact CE-CG 3.36Å
47G96.5Very high96.9Very high0 Ų011.7 Ų11.70%07%0.071CC..THydrogen-bonded Turntrans79.96.8175.200000115.7K23 T24 M43 A44 L45 L196 S198K23-G47 PolarHBondContact N-O 3.16Å; T24-G47 PolarHBondContact N-O 3.06Å; T24-G47 PolarHBondContact OG1-O 2.9Å; M43-G47 PolarHBondContact O-N 2.88Å; A44-G47 PolarHBondContact O-N 3.31Å; L45-G47 PolarHBondContact O-N 2.86Å; G47-L196 WeakPolarHBondContact CA-O 3.44Å; G47-L196 PolarHBondContact N-O 3.22Å; G47-S198 WeakPolarHBondContact CA-OG 3.46Å; G47-S198 PolarHBondContact O-OG 3.33Å
48G98.1Very high96.9Very high0 Ų012 Ų120%07%0.074CC..SBendtrans-93.5-151.9168.900000111.4T24 L26 M43 M46 S198T24-G48 PolarHBondContact OG1-N 2.83Å; L26-G48 WeakPolarHBondContact O-CA 3.39Å; M43-G48 CarbonylContact O-C 3.52Å; M43-G48 WeakPolarHBondContact O-CA 3.45Å; M43-G48 PolarHBondContact O-N 2.9Å; M46-G48 VanDerWaalsContact C-N 3.3Å; M46-G48 PolarHBondContact O-N 3.04Å; G48-S198 WeakPolarHBondContact O-CB 3.19Å; G48-S198 PolarHBondContact O-OG 2.97Å
49I98.7Very high97Very high0 Ų013.6 Ų13.60%07%0.074CC..EExtended strand (participates in β ladder)trans-151.3149.5171.3-167.7173000109.9L16 L22 L26 I27 S28 I51 L206 V231L16-I49 HydrophobicContact CD1-CG2 4.49Å; L16-I49 HydrophobicContact CD2-CD1 3.9Å; L16-I49 HydrophobicContact CD2-CG2 4.02Å; L22-I49 HydrophobicContact CD1-CB 4.27Å; L22-I49 HydrophobicContact CD1-CG2 3.73Å; L22-I49 HydrophobicContact CD2-CB 4.04Å; L22-I49 HydrophobicContact CD2-CG2 4.29Å; L26-I49 PolarHBondContact O-N 3.41Å; I27-I49 WeakPolarHBondContact CA-O 3.5Å; I27-I49 HydrophobicContact CB-CG2 4.35Å; I27-I49 HydrophobicContact CG1-CG2 3.95Å; I27-I49 HydrophobicContact CG2-CG2 3.92Å; S28-I49 PolarHBondContact N-O 2.62Å; S28-I49 VanDerWaalsContact N-O 3.13Å; I49-I51 HydrophobicContact CG2-CD1 4.4Å; I49-L206 HydrophobicContact CD1-CB 3.95Å; I49-L206 HydrophobicContact CG1-CB 4.27Å; I49-V231 HydrophobicContact CD1-CG1 3.81Å
50G98.6Very high96.9Very high0 Ų017.5 Ų17.50%09%0.091CC..EExtended strand (participates in β ladder)trans-106.7142.4168.500000112.7S28 G208S28-G50 WeakPolarHBondContact OG-CA 3.49Å; G50-G208 PolarHBondContact O-N 3.15Å
51I98.9Very high96.9Very high0 Ų017.5 Ų17.50%09%0.091CC..EExtended strand (participates in β ladder)trans-105109.8174.2-45.3-56.8000109.4I27 S28 P30 T35 I49 H53 G208 A210 V233 M346I27-I51 HydrophobicContact CG2-CD1 4.11Å; I27-I51 HydrophobicContact CG2-CG1 3.71Å; S28-I51 PolarHBondContact O-N 2.85Å; P30-I51 VanDerWaalsContact CA-O 3.28Å; P30-I51 WeakPolarHBondContact CA-O 3.29Å; P30-I51 HydrophobicContact CB-CB 4.06Å; P30-I51 HydrophobicContact CB-CG2 3.75Å; P30-I51 HydrophobicContact CG-CB 4.46Å; P30-I51 HydrophobicContact CG-CG2 4.19Å; T35-I51 VanDerWaalsContact CB-O 3.23Å; T35-I51 WeakPolarHBondContact CB-O 3.44Å; T35-I51 VanDerWaalsContact CG2-O 3.22Å; T35-I51 WeakPolarHBondContact CG2-O 3.32Å; I49-I51 HydrophobicContact CG2-CD1 4.4Å; I51-H53 PolarHBondContact O-N 3.12Å; I51-G208 CarbonylContact C-O 3.52Å; I51-G208 WeakPolarHBondContact CA-O 3.25Å; I51-A210 HydrophobicContact CG2-CB 4.23Å; I51-V233 HydrophobicContact CD1-CG2 4.13Å; I51-V233 HydrophobicContact CG1-CG2 4.18Å; I51-V233 HydrophobicContact CG2-CB 4.17Å; I51-V233 HydrophobicContact CG2-CG2 3.7Å; I51-M346 HydrophobicContact CG1-CE 3.92Å
52I98.7Very high96.9Very high0 Ų016.6 Ų16.60%09%0.087CC..EExtended strand (participates in β ladder)trans-65.3129178.1-51.9-62.9000109.7T35 A40 Q61 E64 V65 G208 A210T35-I52 HydrophobicContact CG2-CD1 4.32Å; A40-I52 HydrophobicContact CB-CD1 3.74Å; I52-Q61 HydrophobicContact CB-CG 4.38Å; I52-Q61 HydrophobicContact CG2-CG 3.71Å; I52-Q61 PolarHBondContact O-NE2 3.12Å; I52-E64 HydrophobicContact CD1-CB 4.32Å; I52-E64 HydrophobicContact CG1-CB 4.49Å; I52-E64 HydrophobicContact CG2-CB 3.96Å; I52-V65 HydrophobicContact CG1-CG2 4.14Å; I52-G208 PolarHBondContact N-O 3.29Å; I52-A210 PolarHBondContact O-N 3.47Å
53H97.8Very high96.9Very high5 Ų519.8 Ų19.82%0.02310%0.103CC..  trans-67160.7179.172.485.5000112.9D32 T35 E36 I51 N55 Q61D32-H53 VanDerWaalsContact CA-CD2 3.46Å; D32-H53 WeakPolarHBondContact CA-CD2 3.44Å; T35-H53 PolarHBondContact O-CD2 3.29Å; E36-H53 IonicContact OE1-NE2 3.12Å; I51-H53 PolarHBondContact O-N 3.12Å; H53-N55 PolarHBondContact CE1-O 2.9Å; H53-N55 PolarHBondContact ND1-N 2.95Å; H53-N55 VanDerWaalsContact ND1-N 3.18Å; H53-Q61 WeakPolarHBondContact O-CG 3.03Å; H53-Q61 PolarHBondContact O-NE2 3.08Å
54H95.8Very high96.9Very high14 Ų1419.8 Ų19.87%0.06510%0.103CC..SBendtrans-106.24.9178.575.3104.6000114.4C56 A210 D235H54-C56 PolarHBondContact O-N 3.39Å; H54-A210 WeakPolarHBondContact CB-O 3.33Å; H54-D235 IonicContact NE2-OD2 2.68Å
55N93.4Very high96.9Very high3 Ų319.8 Ų19.82%0.01610%0.103CC..SBendtrans-73.354173.7-158.946.4000112.7D32 H53 M375 N384 S386D32-N55 HydrophobicContact CB-CB 4.44Å; D32-N55 PolarHBondContact OD2-ND2 3.03Å; H53-N55 PolarHBondContact CE1-O 2.9Å; H53-N55 PolarHBondContact ND1-N 2.95Å; H53-N55 VanDerWaalsContact ND1-N 3.18Å; N55-M375 HydrophobicContact CB-CE 3.53Å; N55-N384 HydrophobicContact CB-CB 4.41Å; N55-N384 VanDerWaalsContact O-CB 3.27Å; N55-N384 WeakPolarHBondContact O-CB 3.32Å; N55-N384 WeakPolarHBondContact OD1-CB 3.22Å; N55-N384 PolarHBondContact OD1-O 2.95Å; N55-S386 PolarHBondContact OD1-N 3.07Å; N55-S386 VanDerWaalsContact OD1-N 3.17Å
56C93.1Very high96.9Very high16 Ų1623.7 Ų23.711%0.10812%0.118CC..SBendtrans-165.7179.2-175.5550000109.5H54 F60 R220H54-C56 PolarHBondContact O-N 3.39Å; C56-F60 HydrophobicContact CB-CB 4.37Å; C56-F60 HydrophobicContact CB-CD1 3.61Å; C56-F60 HydrophobicContact CB-CE1 4.26Å; C56-F60 HydrophobicContact CB-CG 4.25Å; C56-R220 PolarHBondContact O-NH2 3.36Å
57T95.9Very high96.7Very high82 Ų8228.3 Ų28.350%0.50313%0.134SC..  trans-68.6162.2172.965.20000111.6E59 F60 Q61 R220T57-E59 VanDerWaalsContact C-N 3.32Å; T57-F60 VanDerWaalsContact OG1-CB 3.28Å; T57-F60 WeakPolarHBondContact OG1-CB 3.48Å; T57-F60 PolarHBondContact OG1-N 3.25Å; T57-Q61 PolarHBondContact O-N 3.48Å; T57-R220 PolarHBondContact O-NH1 3.07Å; T57-R220 VanDerWaalsContact O-NH1 3.13Å
58A97Very high96.7Very high9 Ų928.3 Ų28.37%0.07413%0.134CC..Hα-helixtrans-66.2-38.7178.600000111.3Q61 A62 Y219 R220 L223A58-Q61 PolarHBondContact O-N 2.95Å; A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 3.19Å; A58-Y219 HydrophobicContact CB-CD1 4.19Å; A58-Y219 HydrophobicContact CB-CE1 4.06Å; A58-R220 HydrophobicContact CB-CB 3.91Å; A58-R220 HydrophobicContact CB-CG 4.15Å; A58-L223 HydrophobicContact CB-CD1 3.83Å
59E97.3Very high96.5Very high95 Ų9528.5 Ų28.544%0.44414%0.135SC..Hα-helixtrans-66-43.6179-62.671.4-156.800111.4T57 A62 N63 Y219 L223T57-E59 VanDerWaalsContact C-N 3.32Å; E59-A62 PolarHBondContact O-N 3.14Å; E59-N63 WeakPolarHBondContact O-CB 3.47Å; E59-N63 PolarHBondContact O-N 2.98Å; E59-Y219 VanDerWaalsContact OE1-CE1 3.3Å; E59-Y219 WeakPolarHBondContact OE1-CE1 3.35Å; E59-Y219 PolarHBondContact OE1-OH 3.28Å; E59-L223 HydrophobicContact CG-CD1 4.16Å
60F96.6Very high95.9Very high81 Ų8133.3 Ų33.336%0.35516%0.155SC..Hα-helixtrans-60.8-48.8176.5179.2-89.4000110.7C56 T57 A62 N63 E64C56-F60 HydrophobicContact CB-CB 4.37Å; C56-F60 HydrophobicContact CB-CD1 3.61Å; C56-F60 HydrophobicContact CB-CE1 4.26Å; C56-F60 HydrophobicContact CB-CG 4.25Å; T57-F60 VanDerWaalsContact OG1-CB 3.28Å; T57-F60 WeakPolarHBondContact OG1-CB 3.48Å; T57-F60 PolarHBondContact OG1-N 3.25Å; F60-A62 PolarHBondContact O-N 2.61Å; F60-N63 WeakPolarHBondContact O-CB 3.5Å; F60-N63 PolarHBondContact O-N 2.83Å; F60-N63 VanDerWaalsContact O-N 3.14Å; F60-E64 HydrophobicContact CD1-CG 4.13Å; F60-E64 HydrophobicContact CE1-CG 3.71Å; F60-E64 HydrophobicContact CZ-CG 4.07Å; F60-E64 PolarHBondContact O-N 3.18Å
61Q98.2Very high95.3Very high0 Ų036.8 Ų36.80%017%0.171CC..Hα-helixtrans-61.7-44.3179.7-162-172.219.700112.2I52 H53 T57 A58 N63 E64 V65 A210 L224I52-Q61 HydrophobicContact CB-CG 4.38Å; I52-Q61 HydrophobicContact CG2-CG 3.71Å; I52-Q61 PolarHBondContact O-NE2 3.12Å; H53-Q61 WeakPolarHBondContact O-CG 3.03Å; H53-Q61 PolarHBondContact O-NE2 3.08Å; T57-Q61 PolarHBondContact O-N 3.48Å; A58-Q61 PolarHBondContact O-N 2.95Å; Q61-N63 VanDerWaalsContact C-N 3.27Å; Q61-N63 PolarHBondContact O-N 2.83Å; Q61-E64 PolarHBondContact O-N 2.9Å; Q61-V65 PolarHBondContact O-N 3.46Å; Q61-A210 PolarHBondContact NE2-O 2.9Å; Q61-L224 HydrophobicContact CB-CD2 4.37Å; Q61-L224 HydrophobicContact CG-CD2 3.95Å
62A97.9Very high94.3Very high3 Ų336.9 Ų36.93%0.02517%0.171CC..Hα-helixtrans-62.4-35.5175.900000111.9A58 E59 F60 V65 R66 L223 A227A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 3.19Å; E59-A62 PolarHBondContact O-N 3.14Å; F60-A62 PolarHBondContact O-N 2.61Å; A62-V65 PolarHBondContact O-N 3.41Å; A62-R66 WeakPolarHBondContact O-CB 3.49Å; A62-R66 PolarHBondContact O-N 3.12Å; A62-L223 HydrophobicContact CB-CB 3.91Å; A62-A227 HydrophobicContact CB-CB 4.23Å; A62-A227 WeakPolarHBondContact O-CB 3.41Å
63N96Very high92.9Very high72 Ų7237.9 Ų37.939%0.38518%0.176SC..Hα-helixtrans-67.1-41.4173.8-168.555.8000112.4E59 F60 Q61 V65 R66 R67E59-N63 WeakPolarHBondContact O-CB 3.47Å; E59-N63 PolarHBondContact O-N 2.98Å; F60-N63 WeakPolarHBondContact O-CB 3.5Å; F60-N63 PolarHBondContact O-N 2.83Å; F60-N63 VanDerWaalsContact O-N 3.14Å; Q61-N63 VanDerWaalsContact C-N 3.27Å; Q61-N63 PolarHBondContact O-N 2.83Å; N63-V65 VanDerWaalsContact C-N 3.35Å; N63-V65 PolarHBondContact O-N 2.86Å; N63-R66 WeakPolarHBondContact O-CB 3.27Å; N63-R66 PolarHBondContact O-N 3.13Å; N63-R67 WeakPolarHBondContact O-CG 3.45Å; N63-R67 PolarHBondContact O-N 3.15Å
64E98Very high91.9Very high1 Ų138.1 Ų38.11%0.00518%0.18CC..Hα-helixtrans-60-44173.7-70.9-59.5102.900111.6S37 I52 F60 Q61 R66 R67 V68S37-E64 WeakPolarHBondContact CA-OE2 3.34Å; S37-E64 WeakPolarHBondContact CB-OE2 3.46Å; S37-E64 PolarHBondContact N-OE2 3.22Å; S37-E64 PolarHBondContact OG-OE2 3.15Å; I52-E64 HydrophobicContact CD1-CB 4.32Å; I52-E64 HydrophobicContact CG1-CB 4.49Å; I52-E64 HydrophobicContact CG2-CB 3.96Å; F60-E64 HydrophobicContact CD1-CG 4.13Å; F60-E64 HydrophobicContact CE1-CG 3.71Å; F60-E64 HydrophobicContact CZ-CG 4.07Å; F60-E64 PolarHBondContact O-N 3.18Å; Q61-E64 PolarHBondContact O-N 2.9Å; E64-R66 PolarHBondContact O-N 3.31Å; E64-R67 WeakPolarHBondContact O-CB 3.38Å; E64-R67 PolarHBondContact O-N 3.41Å; E64-R67 VanDerWaalsContact OE1-CD 3.31Å; E64-R67 WeakPolarHBondContact OE1-CD 3.09Å; E64-R67 IonicContact OE1-CZ 3.88Å; E64-R67 IonicContact OE1-NE 3.44Å; E64-R67 IonicContact OE1-NH1 2.69Å; E64-R67 PolarHBondContact OE1-NH1 3.04Å; E64-R67 IonicContact OE2-NH1 2.65Å; E64-V68 WeakPolarHBondContact O-CG2 3.5Å; E64-V68 PolarHBondContact O-N 3.41Å
65V98.1Very high91.3Very high0 Ų040.6 Ų40.60%019%0.19CC..Hα-helixtrans-59.1-47.6173172.60000110.9I52 Q61 A62 N63 R67 V68 K69 A209 L224 A227 V229I52-V65 HydrophobicContact CG1-CG2 4.14Å; Q61-V65 PolarHBondContact O-N 3.46Å; A62-V65 PolarHBondContact O-N 3.41Å; N63-V65 VanDerWaalsContact C-N 3.35Å; N63-V65 PolarHBondContact O-N 2.86Å; V65-R67 VanDerWaalsContact C-N 3.28Å; V65-R67 PolarHBondContact O-N 2.95Å; V65-V68 WeakPolarHBondContact O-CB 3.17Å; V65-V68 PolarHBondContact O-N 2.81Å; V65-K69 HydrophobicContact CG1-CG 4.14Å; V65-K69 WeakPolarHBondContact O-CG 3.47Å; V65-K69 PolarHBondContact O-N 3.3Å; V65-A209 HydrophobicContact CG2-CB 4.19Å; V65-L224 HydrophobicContact CG2-CD2 3.74Å; V65-A227 HydrophobicContact CB-CB 4.07Å; V65-A227 HydrophobicContact CG1-CB 3.88Å; V65-V229 HydrophobicContact CG1-CB 4.13Å
66R94.6Very high90.9Very high90 Ų9041.6 Ų41.634%0.3420%0.195SC..Hα-helixtrans-58.8-39.3179.1-170.5179.7-65.9105.31.4111.9A62 N63 E64 V68 K69 K70 A227A62-R66 WeakPolarHBondContact O-CB 3.49Å; A62-R66 PolarHBondContact O-N 3.12Å; N63-R66 WeakPolarHBondContact O-CB 3.27Å; N63-R66 PolarHBondContact O-N 3.13Å; E64-R66 PolarHBondContact O-N 3.31Å; R66-V68 VanDerWaalsContact C-N 3.35Å; R66-V68 PolarHBondContact O-N 3.26Å; R66-K69 PolarHBondContact O-N 3.13Å; R66-K70 HydrophobicContact CG-CD 4.14Å; R66-K70 HydrophobicContact CG-CG 4.26Å; R66-K70 VanDerWaalsContact O-CB 3.3Å; R66-K70 WeakPolarHBondContact O-CB 3.38Å; R66-K70 WeakPolarHBondContact O-CG 3.47Å; R66-K70 PolarHBondContact O-N 3.3Å; R66-A227 HydrophobicContact CB-CB 4.47Å
67R92.4Very high90.5Very high124 Ų12445.6 Ų45.647%0.46822%0.22SC..Hα-helixtrans-60.7-42.7175-71.317169.8-175.72.3111.7S37 N63 E64 V65 F71S37-R67 PolarHBondContact OG-NE 3.43Å; S37-R67 PolarHBondContact OG-NH1 3.31Å; N63-R67 WeakPolarHBondContact O-CG 3.45Å; N63-R67 PolarHBondContact O-N 3.15Å; E64-R67 WeakPolarHBondContact O-CB 3.38Å; E64-R67 PolarHBondContact O-N 3.41Å; E64-R67 VanDerWaalsContact OE1-CD 3.31Å; E64-R67 WeakPolarHBondContact OE1-CD 3.09Å; E64-R67 IonicContact OE1-CZ 3.88Å; E64-R67 IonicContact OE1-NE 3.44Å; E64-R67 IonicContact OE1-NH1 2.69Å; E64-R67 PolarHBondContact OE1-NH1 3.04Å; E64-R67 IonicContact OE2-NH1 2.65Å; V65-R67 VanDerWaalsContact C-N 3.28Å; V65-R67 PolarHBondContact O-N 2.95Å; R67-F71 PolarHBondContact O-N 3.03Å; R67-F71 VanDerWaalsContact O-N 3.09Å
68V95.5Very high89.9Confident0 Ų046.4 Ų46.40%022%0.221CC..Hα-helixtrans-64.4-50176.1-176.90000110.8A40 I41 E64 V65 R66 K70 F71 L205 C207A40-V68 HydrophobicContact CB-CG2 3.71Å; I41-V68 HydrophobicContact CG1-CB 4.27Å; I41-V68 HydrophobicContact CG1-CG1 4.15Å; I41-V68 HydrophobicContact CG1-CG2 4.1Å; E64-V68 WeakPolarHBondContact O-CG2 3.5Å; E64-V68 PolarHBondContact O-N 3.41Å; V65-V68 WeakPolarHBondContact O-CB 3.17Å; V65-V68 PolarHBondContact O-N 2.81Å; R66-V68 VanDerWaalsContact C-N 3.35Å; R66-V68 PolarHBondContact O-N 3.26Å; V68-K70 VanDerWaalsContact C-N 3.28Å; V68-K70 PolarHBondContact O-N 3.4Å; V68-F71 WeakPolarHBondContact O-CB 3.31Å; V68-F71 PolarHBondContact O-N 2.94Å; V68-F71 VanDerWaalsContact O-N 3.14Å; V68-L205 HydrophobicContact CG1-CB 4.22Å; V68-C207 HydrophobicContact CB-CB 4.05Å; V68-C207 HydrophobicContact CG1-CB 3.73Å
69K93.3Very high89.5Confident4 Ų446.6 Ų46.62%0.01722%0.221CC..Hα-helixtrans-67.8-25-177.9-60-58.1-63.9-176.80113.4V65 R66 Q73 D200 Q204 L205 C207 G228 D230V65-K69 HydrophobicContact CG1-CG 4.14Å; V65-K69 WeakPolarHBondContact O-CG 3.47Å; V65-K69 PolarHBondContact O-N 3.3Å; R66-K69 PolarHBondContact O-N 3.13Å; K69-Q73 PolarHBondContact O-NE2 2.97Å; K69-Q73 VanDerWaalsContact O-NE2 3.17Å; K69-D200 IonicContact NZ-OD2 2.73Å; K69-D200 PolarHBondContact NZ-OD2 3.34Å; K69-Q204 PolarHBondContact O-NE2 3.33Å; K69-L205 VanDerWaalsContact CD-O 3.3Å; K69-L205 WeakPolarHBondContact CD-O 3.44Å; K69-L205 WeakPolarHBondContact CE-O 3.48Å; K69-L205 PolarHBondContact NZ-O 3.24Å; K69-C207 HydrophobicContact CD-CB 3.94Å; K69-G228 WeakPolarHBondContact CD-O 3.35Å; K69-G228 VanDerWaalsContact CE-O 3.31Å; K69-G228 WeakPolarHBondContact CE-O 3.19Å; K69-D230 VanDerWaalsContact NZ-CG 3.25Å; K69-D230 IonicContact NZ-OD1 3.09Å; K69-D230 PolarHBondContact NZ-OD1 3.26Å; K69-D230 IonicContact NZ-OD2 3.04Å; K69-D230 PolarHBondContact NZ-OD2 3.46Å
70K88Confident89.2Confident100 Ų10043.9 Ų43.944%0.43521%0.211SC..Hα-helixtrans-89.5-9.2174-68.3-163.7173.8-157.60113.9R66 V68 E72 D78R66-K70 HydrophobicContact CG-CD 4.14Å; R66-K70 HydrophobicContact CG-CG 4.26Å; R66-K70 VanDerWaalsContact O-CB 3.3Å; R66-K70 WeakPolarHBondContact O-CB 3.38Å; R66-K70 WeakPolarHBondContact O-CG 3.47Å; R66-K70 PolarHBondContact O-N 3.3Å; V68-K70 VanDerWaalsContact C-N 3.28Å; V68-K70 PolarHBondContact O-N 3.4Å; K70-E72 PolarHBondContact O-N 3.21Å; K70-D78 IonicContact NZ-OD2 3.85Å; K70-D78 PolarHBondContact NZ-OD2 3.25Å; K70-D78 VanDerWaalsContact NZ-OD2 3.09Å
71F84.9Confident89.2Confident74 Ų7441.2 Ų41.233%0.32520%0.202SC..Hα-helixtrans-66.4-37.5-175.5-177.3-93.7000113.3I41 L45 R67 V68 K190 L205I41-F71 HydrophobicContact CD1-CB 3.91Å; I41-F71 HydrophobicContact CD1-CD2 3.64Å; I41-F71 HydrophobicContact CD1-CE2 4.35Å; I41-F71 HydrophobicContact CD1-CG 3.86Å; I41-F71 HydrophobicContact CG1-CB 3.98Å; I41-F71 HydrophobicContact CG1-CD2 4.25Å; I41-F71 HydrophobicContact CG1-CG 4Å; I41-F71 HydrophobicContact CG2-CD1 3.61Å; I41-F71 HydrophobicContact CG2-CD2 3.98Å; I41-F71 HydrophobicContact CG2-CE1 3.64Å; I41-F71 HydrophobicContact CG2-CE2 3.98Å; I41-F71 HydrophobicContact CG2-CG 3.78Å; I41-F71 HydrophobicContact CG2-CZ 3.81Å; L45-F71 HydrophobicContact CD1-CE1 3.95Å; R67-F71 PolarHBondContact O-N 3.03Å; R67-F71 VanDerWaalsContact O-N 3.09Å; V68-F71 WeakPolarHBondContact O-CB 3.31Å; V68-F71 PolarHBondContact O-N 2.94Å; V68-F71 VanDerWaalsContact O-N 3.14Å; F71-K190 HydrophobicContact CD1-CD 4.45Å; F71-K190 HydrophobicContact CE1-CD 3.83Å; F71-K190 HydrophobicContact CZ-CD 4.48Å; F71-K190 PolarHBondContact O-NZ 3.06Å; F71-L205 HydrophobicContact CB-CD1 4.35Å; F71-L205 HydrophobicContact CD1-CD1 3.76Å; F71-L205 HydrophobicContact CG-CD1 4.41Å
72E76.9Confident89.1Confident2 Ų241.9 Ų41.91%0.00921%0.205CC..SBendtrans-140.8126.2176.5-167.2-179171.200108.3K70 D187 K190 N191 K199 Q204 L205K70-E72 PolarHBondContact O-N 3.21Å; E72-D187 HydrophobicContact CG-CB 4.13Å; E72-K190 HydrophobicContact CB-CD 4.48Å; E72-K190 HydrophobicContact CG-CD 4.23Å; E72-N191 VanDerWaalsContact OE1-CG 3.27Å; E72-N191 PolarHBondContact OE1-ND2 3.4Å; E72-N191 PolarHBondContact OE1-OD1 2.94Å; E72-K199 IonicContact OE1-NZ 3.57Å; E72-K199 PolarHBondContact OE1-NZ 3.46Å; E72-K199 WeakPolarHBondContact OE2-CE 3.11Å; E72-K199 IonicContact OE2-NZ 2.86Å; E72-K199 PolarHBondContact OE2-NZ 3.11Å; E72-K199 VanDerWaalsContact OE2-NZ 3.1Å; E72-Q204 WeakPolarHBondContact O-CA 3.1Å; E72-L205 HydrophobicContact CB-CG 4.22Å
73Q70.3Confident89Confident20 Ų2042.4 Ų42.49%0.09321%0.208CC..  trans-139137.6-179-52.7-170.4-42.800107.5K69 I76 Q204K69-Q73 PolarHBondContact O-NE2 2.97Å; K69-Q73 VanDerWaalsContact O-NE2 3.17Å; Q73-I76 HydrophobicContact CB-CG1 3.84Å; Q73-Q204 HydrophobicContact CG-CG 4.26Å
74G76.3Confident89.1Confident10 Ų1039.8 Ų39.810%0.10320%0.195CC..SBendtrans-64.1-71.9173.600000109.7I183G74-I183 WeakPolarHBondContact O-CG1 3.44Å
75F82.9Confident89Confident66 Ų6646 Ų4629%0.28922%0.224SC..SBendtrans-99.9122.7168.3-69.4-92.2000109.2T77 V153 L155 I172 I183F75-T77 PolarHBondContact O-N 3.14Å; F75-V153 HydrophobicContact CE1-CG1 3.95Å; F75-V153 HydrophobicContact CZ-CG1 4.17Å; F75-V153 VanDerWaalsContact CZ-O 3.24Å; F75-V153 WeakPolarHBondContact CZ-O 3.48Å; F75-L155 HydrophobicContact CD2-CD1 4.38Å; F75-L155 HydrophobicContact CE2-CB 3.95Å; F75-L155 HydrophobicContact CE2-CD1 4.03Å; F75-I172 HydrophobicContact CD1-CG1 4.09Å; F75-I172 HydrophobicContact CE1-CD1 4.25Å; F75-I172 HydrophobicContact CE1-CG1 4.08Å; F75-I183 HydrophobicContact CD1-CD1 3.6Å; F75-I183 HydrophobicContact CD1-CG1 3.87Å; F75-I183 HydrophobicContact CE1-CD1 3.32Å; F75-I183 HydrophobicContact CE1-CG1 4.11Å; F75-I183 HydrophobicContact CE2-CD1 4.36Å; F75-I183 HydrophobicContact CG-CD1 4.24Å; F75-I183 HydrophobicContact CG-CG1 4.41Å; F75-I183 HydrophobicContact CZ-CD1 3.73Å
76I85.9Confident88.9Confident24 Ų2449.3 Ų49.312%0.12324%0.239CC..BIsolated β-bridgetrans-86.2101.9174.6-58.2158.7000107.1Q73 P79 S181 I182 A184Q73-I76 HydrophobicContact CB-CG1 3.84Å; I76-P79 HydrophobicContact CG2-CB 3.84Å; I76-P79 HydrophobicContact CG2-CG 4.48Å; I76-S181 CarbonylContact O-C 3.51Å; I76-S181 WeakPolarHBondContact O-CA 3.39Å; I76-S181 WeakPolarHBondContact O-CB 3.44Å; I76-I182 HydrophobicContact CB-CG2 3.71Å; I76-I182 VanDerWaalsContact CB-O 3.25Å; I76-I182 WeakPolarHBondContact CB-O 3.43Å; I76-I182 HydrophobicContact CD1-CG2 4.01Å; I76-I182 HydrophobicContact CG1-CG2 4.44Å; I76-I182 HydrophobicContact CG2-CG2 4.01Å; I76-I182 PolarHBondContact N-O 2.86Å; I76-I182 PolarHBondContact O-N 2.96Å; I76-A184 HydrophobicContact CD1-CB 4.38Å
77T84.6Confident89Confident101 Ų10146.4 Ų46.462%0.6223%0.231SC*.SBendtrans-86.9-15.4-176.156.10000114F75 P79F75-T77 PolarHBondContact O-N 3.14Å; T77-P79 VanDerWaalsContact C-CD 3.43Å
78D83.7Confident89.1Confident99 Ų9940.5 Ų40.553%0.52921%0.209SC..SBendtrans-131.963.1178.1177.749.1000109.9K70K70-D78 IonicContact NZ-OD2 3.85Å; K70-D78 PolarHBondContact NZ-OD2 3.25Å; K70-D78 VanDerWaalsContact NZ-OD2 3.09Å
79P88.4Confident89Confident12 Ų1241.3 Ų41.38%0.07822%0.218CC..  trans-71.9154.7173.832.2-34.5000110.5I76 T77 V81 P104 M111 I182I76-P79 HydrophobicContact CG2-CB 3.84Å; I76-P79 HydrophobicContact CG2-CG 4.48Å; T77-P79 VanDerWaalsContact C-CD 3.43Å; P79-V81 HydrophobicContact CG-CG1 4.37Å; P79-V81 PolarHBondContact O-N 3.18Å; P79-P104 HydrophobicContact CB-CG 4.34Å; P79-P104 HydrophobicContact CG-CG 4.23Å; P79-M111 WeakPolarHBondContact CD-SD 3.08Å; P79-M111 HydrophobicContact CG-CE 4.19Å; P79-M111 HydrophobicContact CG-SD 3.47Å; P79-M111 WeakPolarHBondContact CG-SD 3.22Å; P79-I182 HydrophobicContact CB-CG2 3.69Å; P79-I182 HydrophobicContact CG-CG2 3.95Å
80V91.3Very high89Confident38 Ų3843.6 Ų43.623%0.2323%0.23CC..  trans-61.1127.1162.4177.90000107.4M82 F100 I103 P104V80-M82 HydrophobicContact CG1-CE 4.5Å; V80-F100 HydrophobicContact CB-CE2 4.2Å; V80-F100 HydrophobicContact CB-CZ 4.29Å; V80-F100 HydrophobicContact CG2-CE2 4.21Å; V80-F100 HydrophobicContact CG2-CZ 3.82Å; V80-I103 HydrophobicContact CG1-CD1 4.21Å; V80-I103 HydrophobicContact CG1-CG2 4.4Å; V80-I103 WeakPolarHBondContact O-CG2 3.21Å; V80-P104 WeakPolarHBondContact O-CD 3.32Å
81V95.2Very high89.2Confident26 Ų2638.8 Ų38.816%0.15821%0.209CC..  trans-121.9149.1177.7-78.50000108.8P79 P104 T106 G109 M111 L179P79-V81 HydrophobicContact CG-CG1 4.37Å; P79-V81 PolarHBondContact O-N 3.18Å; V81-P104 WeakPolarHBondContact CA-O 3.48Å; V81-P104 HydrophobicContact CG1-CG 3.88Å; V81-T106 HydrophobicContact CG1-CG2 4.27Å; V81-G109 WeakPolarHBondContact CG2-O 3.18Å; V81-M111 HydrophobicContact CG1-CG 4.1Å; V81-M111 HydrophobicContact CG1-SD 3.53Å; V81-M111 VanDerWaalsContact CG1-SD 3.53Å; V81-M111 HydrophobicContact CG2-CG 4.18Å; V81-L179 HydrophobicContact CG1-CD2 3.7Å
82M96.4Very high89.5Confident14 Ų1437 Ų377%0.06920%0.201CC..BIsolated β-bridgetrans-130.9163.3175.8-72174175.100110.2V80 H86 D90 V91 A94 I103 P104 V105 T106 G109 L136V80-M82 HydrophobicContact CG1-CE 4.5Å; M82-H86 HydrophobicContact CB-CB 4.24Å; M82-D90 HydrophobicContact CE-CB 4.1Å; M82-D90 WeakPolarHBondContact CE-O 3.39Å; M82-D90 HydrophobicContact SD-CB 4.44Å; M82-V91 HydrophobicContact CE-CG2 4.41Å; M82-V91 HydrophobicContact SD-CG2 3.61Å; M82-A94 HydrophobicContact CE-CB 3.61Å; M82-I103 HydrophobicContact CB-CG2 4.17Å; M82-I103 HydrophobicContact CE-CD1 3.76Å; M82-I103 HydrophobicContact CG-CG2 3.87Å; M82-I103 HydrophobicContact SD-CD1 4Å; M82-I103 HydrophobicContact SD-CG2 3.95Å; M82-P104 PolarHBondContact N-O 3.13Å; M82-V105 CarbonylContact O-C 3.24Å; M82-V105 VanDerWaalsContact O-CA 3.25Å; M82-V105 WeakPolarHBondContact O-CA 3.49Å; M82-V105 WeakPolarHBondContact O-CG1 3.38Å; M82-T106 PolarHBondContact O-N 3.39Å; M82-G109 VanDerWaalsContact C-CA 3.41Å; M82-G109 WeakPolarHBondContact O-CA 3.38Å; M82-L136 HydrophobicContact CB-CD1 3.77Å; M82-L136 HydrophobicContact CG-CD1 4.42Å; M82-L136 HydrophobicContact SD-CD1 3.82Å
83S97.4Very high90.1Very high14 Ų1440.2 Ų40.210%0.09822%0.217CC..  trans-96.1162.4172.577.90000111.2H85 H86 T106S83-H85 PolarHBondContact O-N 2.85Å; S83-H85 VanDerWaalsContact O-N 3.13Å; S83-H85 PolarHBondContact OG-N 2.71Å; S83-H86 PolarHBondContact N-ND1 3.2Å; S83-H86 WeakPolarHBondContact O-CB 3.37Å; S83-H86 PolarHBondContact O-N 2.86Å; S83-H86 VanDerWaalsContact O-N 3.08Å; S83-H86 PolarHBondContact O-ND1 2.72Å; S83-H86 PolarHBondContact OG-CE1 3.35Å; S83-H86 PolarHBondContact OG-ND1 3.24Å; S83-T106 WeakPolarHBondContact CA-O 3.21Å
84P97Very high91Very high17 Ų1739.7 Ų39.711%0.1122%0.215CC..THydrogen-bonded Turntrans-58.5-24.5176.5-25.336.1000114V105 T106 V116 L136 E137P84-V105 HydrophobicContact CG-CG1 3.99Å; P84-T106 WeakPolarHBondContact CD-O 3.39Å; P84-V116 HydrophobicContact CG-CG2 3.71Å; P84-L136 PolarHBondContact O-N 2.84Å; P84-E137 HydrophobicContact CB-CB 3.88Å; P84-E137 PolarHBondContact O-N 3.33Å; P84-E137 VanDerWaalsContact O-N 3.14Å
85H96.3Very high91.5Very high132 Ų13242.5 Ų42.561%0.61123%0.225SC*.THydrogen-bonded Turntrans-85.7-5.5180-54.4-53.6000114.3S83 L135S83-H85 PolarHBondContact O-N 2.85Å; S83-H85 VanDerWaalsContact O-N 3.13Å; S83-H85 PolarHBondContact OG-N 2.71Å; H85-L135 WeakPolarHBondContact O-CD2 3.22Å
86H96.8Very high91.6Very high69 Ų6948.8 Ų48.832%0.31925%0.246SC..SBendtrans-69.3164.2167.7-72.778.1000109.9M82 S83 D90 L135 L136M82-H86 HydrophobicContact CB-CB 4.24Å; S83-H86 PolarHBondContact N-ND1 3.2Å; S83-H86 WeakPolarHBondContact O-CB 3.37Å; S83-H86 PolarHBondContact O-N 2.86Å; S83-H86 VanDerWaalsContact O-N 3.08Å; S83-H86 PolarHBondContact O-ND1 2.72Å; S83-H86 PolarHBondContact OG-CE1 3.35Å; S83-H86 PolarHBondContact OG-ND1 3.24Å; H86-D90 HydrophobicContact CB-CB 4.41Å; H86-D90 IonicContact CD2-OD2 3.46Å; H86-D90 IonicContact CG-OD2 3.28Å; H86-L135 CarbonylContact O-C 3.5Å; H86-L135 WeakPolarHBondContact O-CA 3.27Å; H86-L136 HydrophobicContact CB-CD1 3.83Å; H86-L136 HydrophobicContact CB-CG 4.22Å; H86-L136 WeakPolarHBondContact O-CG 3.48Å; H86-L136 PolarHBondContact O-N 3.29Å
87T95.8Very high91.4Very high28 Ų2856.1 Ų56.117%0.17227%0.273CS..BIsolated β-bridgetrans-102.1163.6-177.167.70000112.1G89 D90 Y132 K134T87-G89 PolarHBondContact O-N 3.02Å; T87-G89 PolarHBondContact OG1-N 2.78Å; T87-D90 PolarHBondContact N-OD2 3.42Å; T87-D90 WeakPolarHBondContact O-CB 3.25Å; T87-D90 PolarHBondContact O-N 3.1Å; T87-D90 VanDerWaalsContact OG1-CG 3.24Å; T87-D90 PolarHBondContact OG1-N 3.17Å; T87-D90 PolarHBondContact OG1-OD2 3.06Å; T87-Y132 VanDerWaalsContact CB-O 3.31Å; T87-Y132 WeakPolarHBondContact CB-O 3.29Å; T87-K134 CarbonylContact C-O 3.59Å; T87-K134 VanDerWaalsContact CA-O 3.3Å; T87-K134 WeakPolarHBondContact CA-O 3.28Å
88V93.8Very high91.1Very high0 Ų056.2 Ų56.20%027%0.266CS..Hα-helixtrans-59-35.3168.9170.10000111D90 V91 F92 I124 L127 Y132 K134 L136 A139V88-D90 VanDerWaalsContact C-N 3.31Å; V88-D90 PolarHBondContact O-N 2.69Å; V88-V91 WeakPolarHBondContact O-CB 3.41Å; V88-V91 PolarHBondContact O-N 3.47Å; V88-V91 VanDerWaalsContact O-N 3.15Å; V88-F92 HydrophobicContact CG1-CD2 3.84Å; V88-F92 HydrophobicContact CG1-CE2 3.53Å; V88-F92 WeakPolarHBondContact O-CD2 3.24Å; V88-F92 PolarHBondContact O-N 3.45Å; V88-I124 HydrophobicContact CG1-CB 4.31Å; V88-I124 HydrophobicContact CG1-CG2 4.09Å; V88-I124 HydrophobicContact CG2-CG2 4.46Å; V88-L127 HydrophobicContact CB-CD1 4.49Å; V88-L127 HydrophobicContact CG1-CD1 3.83Å; V88-L127 HydrophobicContact CG2-CD1 3.91Å; V88-Y132 HydrophobicContact CG1-CD1 4.43Å; V88-Y132 PolarHBondContact N-O 3.1Å; V88-K134 HydrophobicContact CG2-CB 4.23Å; V88-K134 PolarHBondContact N-O 3.47Å; V88-L136 HydrophobicContact CG2-CD2 4.33Å; V88-A139 HydrophobicContact CG2-CB 3.94Å
89G93Very high91Very high18 Ų1854.7 Ų54.719%0.18627%0.274CS..Hα-helixtrans-56.7-41.5174.400000113.2T87 V91 F92 E93 Y132T87-G89 PolarHBondContact O-N 3.02Å; T87-G89 PolarHBondContact OG1-N 2.78Å; G89-V91 VanDerWaalsContact C-N 3.28Å; G89-V91 PolarHBondContact O-N 2.85Å; G89-F92 PolarHBondContact O-N 2.88Å; G89-F92 VanDerWaalsContact O-N 3.14Å; G89-E93 PolarHBondContact O-N 3.03Å; G89-Y132 PolarHBondContact N-O 3.13Å
90D93.4Very high90.7Very high51 Ų5158 Ų5827%0.27329%0.287SS..Hα-helixtrans-61.4-37.5177.2-61.6-45.1000111.8M82 H86 T87 V88 E93 A94M82-D90 HydrophobicContact CE-CB 4.1Å; M82-D90 WeakPolarHBondContact CE-O 3.39Å; M82-D90 HydrophobicContact SD-CB 4.44Å; H86-D90 HydrophobicContact CB-CB 4.41Å; H86-D90 IonicContact CD2-OD2 3.46Å; H86-D90 IonicContact CG-OD2 3.28Å; T87-D90 PolarHBondContact N-OD2 3.42Å; T87-D90 WeakPolarHBondContact O-CB 3.25Å; T87-D90 PolarHBondContact O-N 3.1Å; T87-D90 VanDerWaalsContact OG1-CG 3.24Å; T87-D90 PolarHBondContact OG1-N 3.17Å; T87-D90 PolarHBondContact OG1-OD2 3.06Å; V88-D90 VanDerWaalsContact C-N 3.31Å; V88-D90 PolarHBondContact O-N 2.69Å; D90-E93 PolarHBondContact O-N 2.86Å; D90-A94 WeakPolarHBondContact O-CB 3.41Å; D90-A94 PolarHBondContact O-N 3.25Å
91V92.8Very high90.3Very high0 Ų056.9 Ų56.90%028%0.281CS..Hα-helixtrans-66.9-40.3175.9-179.70000111.2M82 V88 G89 E93 A94 K95 I103 V119 I124 L136M82-V91 HydrophobicContact CE-CG2 4.41Å; M82-V91 HydrophobicContact SD-CG2 3.61Å; V88-V91 WeakPolarHBondContact O-CB 3.41Å; V88-V91 PolarHBondContact O-N 3.47Å; V88-V91 VanDerWaalsContact O-N 3.15Å; G89-V91 VanDerWaalsContact C-N 3.28Å; G89-V91 PolarHBondContact O-N 2.85Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-A94 PolarHBondContact O-N 3.39Å; V91-K95 VanDerWaalsContact O-CB 3.31Å; V91-K95 WeakPolarHBondContact O-CB 3.42Å; V91-K95 PolarHBondContact O-N 2.54Å; V91-I103 HydrophobicContact CG1-CD1 4.13Å; V91-V119 HydrophobicContact CG1-CG1 4.24Å; V91-V119 HydrophobicContact CG2-CG1 3.76Å; V91-V119 HydrophobicContact CG2-CG2 4.48Å; V91-I124 HydrophobicContact CB-CD1 4.25Å; V91-I124 HydrophobicContact CG1-CD1 3.56Å; V91-L136 HydrophobicContact CG2-CD1 3.9Å; V91-L136 HydrophobicContact CG2-CD2 3.52Å; V91-L136 HydrophobicContact CG2-CG 4.31Å
92F90.6Very high90.1Very high35 Ų3556 Ų5615%0.15428%0.277CS..Hα-helixtrans-65.4-37.5174.7-79.4-68.3000112.2V88 G89 K95 R96 I124 Y132V88-F92 HydrophobicContact CG1-CD2 3.84Å; V88-F92 HydrophobicContact CG1-CE2 3.53Å; V88-F92 WeakPolarHBondContact O-CD2 3.24Å; V88-F92 PolarHBondContact O-N 3.45Å; G89-F92 PolarHBondContact O-N 2.88Å; G89-F92 VanDerWaalsContact O-N 3.14Å; F92-K95 HydrophobicContact CD1-CD 4.49Å; F92-K95 PolarHBondContact O-N 2.87Å; F92-R96 WeakPolarHBondContact O-CB 3.33Å; F92-R96 PolarHBondContact O-N 3.33Å; F92-I124 HydrophobicContact CD1-CD1 4.46Å; F92-I124 HydrophobicContact CE1-CD1 4.12Å; F92-I124 HydrophobicContact CE2-CB 4.4Å; F92-I124 HydrophobicContact CE2-CD1 4.21Å; F92-I124 HydrophobicContact CZ-CB 4.24Å; F92-I124 HydrophobicContact CZ-CD1 3.99Å; F92-I124 HydrophobicContact CZ-CG1 4.15Å; F92-Y132 HydrophobicContact CD2-CD1 4.08Å; F92-Y132 AromaticContact CD2-CE1 3.58Å; F92-Y132 HydrophobicContact CD2-CE1 3.58Å; F92-Y132 HydrophobicContact CD2-CE2 4.18Å; F92-Y132 AromaticContact CD2-CZ 3.64Å; F92-Y132 AromaticContact CE2-CD1 3.97Å; F92-Y132 HydrophobicContact CE2-CD1 3.97Å; F92-Y132 AromaticContact CE2-CE1 3.33Å; F92-Y132 HydrophobicContact CE2-CE1 3.33Å; F92-Y132 AromaticContact CE2-CZ 3.77Å; F92-Y132 HydrophobicContact CZ-CE1 4.11Å
93E90.4Very high90Very high71 Ų7155.3 Ų55.333%0.33227%0.274SS..Hα-helixtrans-64.6-46.8172.9-178.4166.9-150.100111.5G89 D90 V91 K95 R96 R97G89-E93 PolarHBondContact O-N 3.03Å; D90-E93 PolarHBondContact O-N 2.86Å; V91-E93 VanDerWaalsContact C-N 3.34Å; E93-K95 VanDerWaalsContact C-N 3.3Å; E93-K95 PolarHBondContact O-N 3.44Å; E93-R96 WeakPolarHBondContact O-CB 3.44Å; E93-R96 PolarHBondContact O-N 3.34Å; E93-R96 VanDerWaalsContact O-N 3.1Å; E93-R97 HydrophobicContact CG-CG 4.37Å; E93-R97 WeakPolarHBondContact O-CG 3.25Å; E93-R97 PolarHBondContact O-N 2.64Å; E93-R97 IonicContact OE1-CZ 2.8Å; E93-R97 IonicContact OE1-NE 2.93Å; E93-R97 PolarHBondContact OE1-NE 3.1Å; E93-R97 VanDerWaalsContact OE1-NE 3.12Å; E93-R97 IonicContact OE1-NH2 2.64Å; E93-R97 PolarHBondContact OE1-NH2 3.04Å; E93-R97 IonicContact OE2-NH2 3.85Å
94A88.5Confident90Very high8 Ų854.7 Ų54.77%0.06627%0.27CS..Hα-helixtrans-59.4-41.5174.800000111.7M82 D90 V91 R96 R97 H98 I103M82-A94 HydrophobicContact CE-CB 3.61Å; D90-A94 WeakPolarHBondContact O-CB 3.41Å; D90-A94 PolarHBondContact O-N 3.25Å; V91-A94 PolarHBondContact O-N 3.39Å; A94-R96 VanDerWaalsContact C-N 3.31Å; A94-R96 PolarHBondContact O-N 3.27Å; A94-R97 PolarHBondContact O-N 3.42Å; A94-H98 WeakPolarHBondContact O-CB 3.19Å; A94-H98 PolarHBondContact O-CD2 2.99Å; A94-H98 PolarHBondContact O-N 2.99Å; A94-I103 HydrophobicContact CB-CD1 3.67Å
95K87.8Confident90Very high69 Ų6953.9 Ų53.930%0.326%0.264SS..Hα-helixtrans-60.1-39.9174.3-174.2-177.7-176.3177.50111.5V91 F92 E93 G99 F100 D125V91-K95 VanDerWaalsContact O-CB 3.31Å; V91-K95 WeakPolarHBondContact O-CB 3.42Å; V91-K95 PolarHBondContact O-N 2.54Å; F92-K95 HydrophobicContact CD1-CD 4.49Å; F92-K95 PolarHBondContact O-N 2.87Å; E93-K95 VanDerWaalsContact C-N 3.3Å; E93-K95 PolarHBondContact O-N 3.44Å; K95-G99 WeakPolarHBondContact O-CA 3.43Å; K95-G99 PolarHBondContact O-N 2.83Å; K95-F100 WeakPolarHBondContact CA-O 3.5Å; K95-D125 IonicContact NZ-OD1 2.69Å; K95-D125 PolarHBondContact NZ-OD1 3.49Å
96R85.3Confident90.1Very high198 Ų19847.6 Ų47.675%0.74724%0.235SC*.Hα-helixtrans-69.6-42.4177.7-160.3-169.4-41.9159.410.9112.3F92 E93 A94F92-R96 WeakPolarHBondContact O-CB 3.33Å; F92-R96 PolarHBondContact O-N 3.33Å; E93-R96 WeakPolarHBondContact O-CB 3.44Å; E93-R96 PolarHBondContact O-N 3.34Å; E93-R96 VanDerWaalsContact O-N 3.1Å; A94-R96 VanDerWaalsContact C-N 3.31Å; A94-R96 PolarHBondContact O-N 3.27Å
97R80.2Confident90Very high178 Ų17850.2 Ų50.267%0.67225%0.248SC*.Hα-helixtrans-74.6-39.2-178.8-70.2-178.7-176.8-170.70.4112.8E93 A94E93-R97 HydrophobicContact CG-CG 4.37Å; E93-R97 WeakPolarHBondContact O-CG 3.25Å; E93-R97 PolarHBondContact O-N 2.64Å; E93-R97 IonicContact OE1-CZ 2.8Å; E93-R97 IonicContact OE1-NE 2.93Å; E93-R97 PolarHBondContact OE1-NE 3.1Å; E93-R97 VanDerWaalsContact OE1-NE 3.12Å; E93-R97 IonicContact OE1-NH2 2.64Å; E93-R97 PolarHBondContact OE1-NH2 3.04Å; E93-R97 IonicContact OE2-NH2 3.85Å; A94-R97 PolarHBondContact O-N 3.42Å
98H80Confident90Very high103 Ų10352.7 Ų52.748%0.47726%0.263SS..Hα-helixtrans-112.5-13.7-170.3-56.1-62.1000114.5A94 F100A94-H98 WeakPolarHBondContact O-CB 3.19Å; A94-H98 PolarHBondContact O-CD2 2.99Å; A94-H98 PolarHBondContact O-N 2.99Å; H98-F100 HydrophobicContact CB-CD1 3.9Å; H98-F100 HydrophobicContact CB-CE1 3.48Å; H98-F100 VanDerWaalsContact CB-CE1 3.48Å; H98-F100 HydrophobicContact CB-CZ 3.87Å; H98-F100 WeakPolarHBondContact O-CD1 3.49Å
99G79.7Confident90Very high68 Ų6853.5 Ų53.570%0.70127%0.271SS*.SBendtrans80.58.9177.100000115.3K95K95-G99 WeakPolarHBondContact O-CA 3.43Å; K95-G99 PolarHBondContact O-N 2.83Å
100F82.9Confident90.1Very high80 Ų8059.7 Ų59.735%0.35129%0.293SS..  trans-139.7154.4177.862.2-98.9000112.3V80 K95 H98V80-F100 HydrophobicContact CB-CE2 4.2Å; V80-F100 HydrophobicContact CB-CZ 4.29Å; V80-F100 HydrophobicContact CG2-CE2 4.21Å; V80-F100 HydrophobicContact CG2-CZ 3.82Å; K95-F100 WeakPolarHBondContact CA-O 3.5Å; H98-F100 HydrophobicContact CB-CD1 3.9Å; H98-F100 HydrophobicContact CB-CE1 3.48Å; H98-F100 VanDerWaalsContact CB-CE1 3.48Å; H98-F100 HydrophobicContact CB-CZ 3.87Å; H98-F100 WeakPolarHBondContact O-CD1 3.49Å
101S83.6Confident90.1Very high15 Ų1559.9 Ų59.911%0.10529%0.293CS..  trans-121.4-4.2-173.953.70000114.2I103 V119 T120 S121S101-I103 PolarHBondContact O-N 3.46Å; S101-V119 CarbonylContact O-C 3.52Å; S101-T120 WeakPolarHBondContact O-CA 3.47Å; S101-S121 WeakPolarHBondContact CB-OG 3.38Å; S101-S121 WeakPolarHBondContact OG-CB 3.39Å; S101-S121 PolarHBondContact OG-N 3.06Å; S101-S121 PolarHBondContact OG-OG 3.46Å
102G90.7Very high90Very high8 Ų861.8 Ų61.88%0.08231%0.312CS..  trans-84.585.5179.100000111V119 K169G102-V119 CarbonylContact C-O 3.54Å; G102-V119 VanDerWaalsContact CA-O 3.32Å; G102-V119 WeakPolarHBondContact CA-O 3.35Å; G102-K169 PolarHBondContact O-NZ 3.33Å
103I95Very high90.3Very high0 Ų060.7 Ų60.70%031%0.309CS..EExtended strand (participates in β ladder)trans-111.6117.4-170.1-62-179.7000109.5V80 M82 V91 A94 S101 I118 V119V80-I103 HydrophobicContact CG1-CD1 4.21Å; V80-I103 HydrophobicContact CG1-CG2 4.4Å; V80-I103 WeakPolarHBondContact O-CG2 3.21Å; M82-I103 HydrophobicContact CB-CG2 4.17Å; M82-I103 HydrophobicContact CE-CD1 3.76Å; M82-I103 HydrophobicContact CG-CG2 3.87Å; M82-I103 HydrophobicContact SD-CD1 4Å; M82-I103 HydrophobicContact SD-CG2 3.95Å; V91-I103 HydrophobicContact CG1-CD1 4.13Å; A94-I103 HydrophobicContact CB-CD1 3.67Å; S101-I103 PolarHBondContact O-N 3.46Å; I103-I118 WeakPolarHBondContact O-CG1 3.39Å; I103-V119 HydrophobicContact CB-CG1 3.88Å; I103-V119 PolarHBondContact N-O 3.08Å; I103-V119 WeakPolarHBondContact O-CG1 3.06Å; I103-V119 PolarHBondContact O-N 3.44Å
104P96.3Very high90.6Very high1 Ų162.3 Ų62.31%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-65.9140.6170.723.8-30.6000111.9P79 V80 V81 M82 L115 L179 I182P79-P104 HydrophobicContact CB-CG 4.34Å; P79-P104 HydrophobicContact CG-CG 4.23Å; V80-P104 WeakPolarHBondContact O-CD 3.32Å; V81-P104 WeakPolarHBondContact CA-O 3.48Å; V81-P104 HydrophobicContact CG1-CG 3.88Å; M82-P104 PolarHBondContact N-O 3.13Å; P104-L115 HydrophobicContact CB-CD1 4Å; P104-L179 HydrophobicContact CB-CD2 3.63Å; P104-L179 HydrophobicContact CG-CD2 3.64Å; P104-I182 HydrophobicContact CG-CD1 4.21Å
105V97.4Very high91.1Very high0 Ų062 Ų620%031%0.312CS..EExtended strand (participates in β ladder)trans-105.9123.2176.8-171.80000108.5M82 P84 V116 G117 V119 L136 M140M82-V105 CarbonylContact O-C 3.24Å; M82-V105 VanDerWaalsContact O-CA 3.25Å; M82-V105 WeakPolarHBondContact O-CA 3.49Å; M82-V105 WeakPolarHBondContact O-CG1 3.38Å; P84-V105 HydrophobicContact CG-CG1 3.99Å; V105-V116 HydrophobicContact CB-CG2 4.25Å; V105-V116 HydrophobicContact CG1-CG2 3.81Å; V105-V116 WeakPolarHBondContact O-CG2 3.27Å; V105-V116 PolarHBondContact O-N 2.79Å; V105-G117 PolarHBondContact N-O 3.21Å; V105-G117 PolarHBondContact O-N 2.6Å; V105-G117 VanDerWaalsContact O-N 3.16Å; V105-V119 HydrophobicContact CG2-CG1 4.49Å; V105-L136 HydrophobicContact CG2-CD1 4.33Å; V105-M140 HydrophobicContact CB-SD 3.66Å; V105-M140 HydrophobicContact CG1-SD 3.69Å; V105-M140 HydrophobicContact CG2-CB 4.36Å; V105-M140 HydrophobicContact CG2-SD 3.77Å
106T97.4Very high91.5Very high0 Ų060.3 Ų60.30%031%0.308CS..EExtended strand (participates in β ladder)trans-117.3153.3178.457.90000109.5V81 M82 S83 P84 T108 G109 K110 K114 L179V81-T106 HydrophobicContact CG1-CG2 4.27Å; M82-T106 PolarHBondContact O-N 3.39Å; S83-T106 WeakPolarHBondContact CA-O 3.21Å; P84-T106 WeakPolarHBondContact CD-O 3.39Å; T106-T108 PolarHBondContact O-N 2.95Å; T106-T108 VanDerWaalsContact O-N 3.14Å; T106-G109 PolarHBondContact O-N 3.42Å; T106-G109 VanDerWaalsContact OG1-CA 3.27Å; T106-G109 WeakPolarHBondContact OG1-CA 3.37Å; T106-G109 PolarHBondContact OG1-N 3.08Å; T106-K110 PolarHBondContact OG1-N 3.35Å; T106-K110 VanDerWaalsContact OG1-N 3.08Å; T106-K110 PolarHBondContact OG1-O 3.02Å; T106-K110 VanDerWaalsContact OG1-O 3.12Å; T106-K114 CarbonylContact C-O 3.55Å; T106-K114 VanDerWaalsContact CA-O 3.22Å; T106-K114 WeakPolarHBondContact CA-O 3.42Å; T106-L179 HydrophobicContact CG2-CB 4.01Å; T106-L179 HydrophobicContact CG2-CD2 3.91Å
107E96.4Very high92.1Very high123 Ų12350.9 Ų50.958%0.57527%0.272SS*.THydrogen-bonded Turntrans-49.7-44.7-175.7-174173.4-133.600112.9K114 V116E107-K114 HydrophobicContact CB-CB 4.5Å; E107-K114 PolarHBondContact N-O 2.71Å; E107-V116 HydrophobicContact CB-CG1 4.2Å
108T95.4Very high92.8Very high81 Ų8143 Ų4350%0.49724%0.243SC..THydrogen-bonded Turntrans-94.5-6.4-179.862.70000114.7T106 K110 S113T106-T108 PolarHBondContact O-N 2.95Å; T106-T108 VanDerWaalsContact O-N 3.14Å; T108-K110 VanDerWaalsContact C-N 3.29Å; T108-K110 PolarHBondContact OG1-N 3.11Å; T108-S113 PolarHBondContact N-OG 3.47Å; T108-S113 WeakPolarHBondContact OG1-CB 3.49Å; T108-S113 PolarHBondContact OG1-OG 3.04Å
109G93.7Very high93.6Very high16 Ų1638.1 Ų38.117%0.16522%0.22CC..SBendtrans7022.4-16900000114.5V81 M82 T106V81-G109 WeakPolarHBondContact CG2-O 3.18Å; M82-G109 VanDerWaalsContact C-CA 3.41Å; M82-G109 WeakPolarHBondContact O-CA 3.38Å; T106-G109 PolarHBondContact O-N 3.42Å; T106-G109 VanDerWaalsContact OG1-CA 3.27Å; T106-G109 WeakPolarHBondContact OG1-CA 3.37Å; T106-G109 PolarHBondContact OG1-N 3.08Å
110K93.6Very high94.2Very high148 Ų14836 Ų3664%0.64319%0.194SC*.SBendtrans-125.8149.5178.9-62.2-177.8-178.71770111.2T106 T108 S113T106-K110 PolarHBondContact OG1-N 3.35Å; T106-K110 VanDerWaalsContact OG1-N 3.08Å; T106-K110 PolarHBondContact OG1-O 3.02Å; T106-K110 VanDerWaalsContact OG1-O 3.12Å; T108-K110 VanDerWaalsContact C-N 3.29Å; T108-K110 PolarHBondContact OG1-N 3.11Å; K110-S113 WeakPolarHBondContact O-CB 3.44Å; K110-S113 PolarHBondContact O-N 3.23Å
111M93.4Very high94.5Very high56 Ų5633.8 Ų33.828%0.27619%0.188SC..THydrogen-bonded Turntrans-60.4147.2172.4-81.8-59.4-63.300111P79 V81 S113 L179 V180P79-M111 WeakPolarHBondContact CD-SD 3.08Å; P79-M111 HydrophobicContact CG-CE 4.19Å; P79-M111 HydrophobicContact CG-SD 3.47Å; P79-M111 WeakPolarHBondContact CG-SD 3.22Å; V81-M111 HydrophobicContact CG1-CG 4.1Å; V81-M111 HydrophobicContact CG1-SD 3.53Å; V81-M111 VanDerWaalsContact CG1-SD 3.53Å; V81-M111 HydrophobicContact CG2-CG 4.18Å; M111-S113 PolarHBondContact O-N 3.18Å; M111-L179 HydrophobicContact CE-CD2 4.3Å; M111-L179 HydrophobicContact CE-CG 4.04Å; M111-L179 WeakPolarHBondContact CE-O 3.37Å; M111-L179 HydrophobicContact SD-CD2 3.58Å; M111-L179 VanDerWaalsContact SD-CD2 3.58Å; M111-L179 HydrophobicContact SD-CG 3.99Å; M111-V180 WeakPolarHBondContact CE-O 3.41Å
112G92.4Very high94.8Very high39 Ų3941.1 Ų41.140%0.40221%0.214SC..THydrogen-bonded Turntrans75.53.8-174.800000114.6E178 L179G112-E178 WeakPolarHBondContact O-CB 3.37Å; G112-E178 WeakPolarHBondContact O-CG 3.28Å; G112-L179 WeakPolarHBondContact CA-O 3.34Å; G112-L179 PolarHBondContact N-O 3.39Å; G112-L179 VanDerWaalsContact N-O 3.12Å
113S96.2Very high94.8Very high13 Ų1343.1 Ų43.19%0.09122%0.223CC..SBendtrans-92.6160.5170.3-176.20000110.7T108 K110 M111 L115 E178 L179T108-S113 PolarHBondContact N-OG 3.47Å; T108-S113 WeakPolarHBondContact OG1-CB 3.49Å; T108-S113 PolarHBondContact OG1-OG 3.04Å; K110-S113 WeakPolarHBondContact O-CB 3.44Å; K110-S113 PolarHBondContact O-N 3.23Å; M111-S113 PolarHBondContact O-N 3.18Å; S113-L115 PolarHBondContact O-N 2.81Å; S113-E178 WeakPolarHBondContact O-CA 3.36Å; S113-L179 PolarHBondContact O-N 2.89Å
114K97.3Very high94.5Very high104 Ų10443.1 Ų43.145%0.45222%0.223SC..BIsolated β-bridgetrans-55.8128.3-179.3-166.7174.4-177.2178.70111.3T106 E107 V116 D177T106-K114 CarbonylContact C-O 3.55Å; T106-K114 VanDerWaalsContact CA-O 3.22Å; T106-K114 WeakPolarHBondContact CA-O 3.42Å; E107-K114 HydrophobicContact CB-CB 4.5Å; E107-K114 PolarHBondContact N-O 2.71Å; K114-V116 PolarHBondContact O-N 3.18Å; K114-D177 WeakPolarHBondContact CA-O 3.38Å; K114-D177 HydrophobicContact CG-CB 4.31Å
115L97.6Very high94Very high1 Ų147.1 Ų47.11%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-73.2124.5177.5-177.770.6000109.4P104 S113 G117 R143 L146 V148 P171 V173 D177 L179P104-L115 HydrophobicContact CB-CD1 4Å; S113-L115 PolarHBondContact O-N 2.81Å; L115-G117 WeakPolarHBondContact CD1-O 3.18Å; L115-R143 WeakPolarHBondContact O-CD 3.49Å; L115-L146 HydrophobicContact CD2-CD1 4.05Å; L115-L146 HydrophobicContact CG-CD1 4.37Å; L115-V148 HydrophobicContact CD2-CG1 3.86Å; L115-P171 HydrophobicContact CD2-CB 3.57Å; L115-P171 HydrophobicContact CD2-CG 4.01Å; L115-V173 HydrophobicContact CB-CG1 4.1Å; L115-V173 HydrophobicContact CD2-CG1 3.82Å; L115-D177 PolarHBondContact N-O 2.82Å; L115-L179 HydrophobicContact CD1-CD1 4.34Å; L115-L179 HydrophobicContact CD1-CD2 4.49Å
116V97.4Very high93.5Very high35 Ų3556.7 Ų56.721%0.21229%0.286CS..EExtended strand (participates in β ladder)trans-117.3-14.8-178.8-63.10000113.2P84 V105 E107 K114 M140 R143P84-V116 HydrophobicContact CG-CG2 3.71Å; V105-V116 HydrophobicContact CB-CG2 4.25Å; V105-V116 HydrophobicContact CG1-CG2 3.81Å; V105-V116 WeakPolarHBondContact O-CG2 3.27Å; V105-V116 PolarHBondContact O-N 2.79Å; E107-V116 HydrophobicContact CB-CG1 4.2Å; K114-V116 PolarHBondContact O-N 3.18Å; V116-M140 HydrophobicContact CB-CE 4.48Å; V116-M140 HydrophobicContact CG2-CE 4.25Å; V116-M140 WeakPolarHBondContact O-CE 3.26Å; V116-R143 PolarHBondContact O-N 3.49Å; V116-R143 VanDerWaalsContact O-N 3.11Å
117G96.8Very high93Very high0 Ų058.9 Ų58.90%030%0.297CS..EExtended strand (participates in β ladder)trans-179.9-175.4175.900000114V105 L115 T141V105-G117 PolarHBondContact N-O 3.21Å; V105-G117 PolarHBondContact O-N 2.6Å; V105-G117 VanDerWaalsContact O-N 3.16Å; L115-G117 WeakPolarHBondContact CD1-O 3.18Å; G117-T141 CarbonylContact C-O 3.55Å; G117-T141 WeakPolarHBondContact CA-O 3.37Å
118I96.4Very high92.6Very high12 Ų1255.7 Ų55.76%0.06229%0.289CS..EExtended strand (participates in β ladder)trans-141.9139.7167.8-163.8172.2000109.2I103 T120 T141 L146 K169 P171 I182I103-I118 WeakPolarHBondContact O-CG1 3.39Å; I118-T120 HydrophobicContact CG1-CG2 4.41Å; I118-T120 HydrophobicContact CG2-CG2 4.48Å; I118-T141 PolarHBondContact N-O 3.37Å; I118-T141 PolarHBondContact O-N 2.94Å; I118-L146 HydrophobicContact CB-CD1 4.38Å; I118-L146 HydrophobicContact CB-CD2 4.36Å; I118-L146 HydrophobicContact CG2-CD1 4.35Å; I118-L146 HydrophobicContact CG2-CD2 3.49Å; I118-L146 VanDerWaalsContact CG2-CD2 3.49Å; I118-K169 HydrophobicContact CD1-CB 3.76Å; I118-K169 HydrophobicContact CD1-CG 4.15Å; I118-P171 HydrophobicContact CD1-CG 4.48Å; I118-I182 HydrophobicContact CD1-CD1 3.93Å
119V95.1Very high92.1Very high0 Ų059.6 Ų59.60%030%0.301CS..EExtended strand (participates in β ladder)trans-108139.7169.265.10000109.3V91 S101 G102 I103 V105 D123 I124 L136 M140V91-V119 HydrophobicContact CG1-CG1 4.24Å; V91-V119 HydrophobicContact CG2-CG1 3.76Å; V91-V119 HydrophobicContact CG2-CG2 4.48Å; S101-V119 CarbonylContact O-C 3.52Å; G102-V119 CarbonylContact C-O 3.54Å; G102-V119 VanDerWaalsContact CA-O 3.32Å; G102-V119 WeakPolarHBondContact CA-O 3.35Å; I103-V119 HydrophobicContact CB-CG1 3.88Å; I103-V119 PolarHBondContact N-O 3.08Å; I103-V119 WeakPolarHBondContact O-CG1 3.06Å; I103-V119 PolarHBondContact O-N 3.44Å; V105-V119 HydrophobicContact CG2-CG1 4.49Å; V119-D123 HydrophobicContact CG2-CB 4.34Å; V119-I124 HydrophobicContact CG2-CG2 3.78Å; V119-L136 HydrophobicContact CG2-CD2 4.42Å; V119-M140 HydrophobicContact CB-CB 4.42Å
120T93.1Very high91.8Very high25 Ų2568.1 Ų68.115%0.15333%0.334CS..  trans-134.8167.1179.375.20000110.5S101 I118 R122 D123S101-T120 WeakPolarHBondContact O-CA 3.47Å; I118-T120 HydrophobicContact CG1-CG2 4.41Å; I118-T120 HydrophobicContact CG2-CG2 4.48Å; T120-R122 PolarHBondContact O-N 3.36Å; T120-R122 VanDerWaalsContact O-N 3.1Å; T120-R122 PolarHBondContact OG1-N 3.46Å; T120-D123 WeakPolarHBondContact CA-OD2 3.47Å; T120-D123 WeakPolarHBondContact CB-OD2 3.39Å; T120-D123 PolarHBondContact N-OD2 3.31Å; T120-D123 WeakPolarHBondContact O-CB 3.47Å; T120-D123 PolarHBondContact O-N 3.49Å; T120-D123 PolarHBondContact OG1-OD2 2.9Å
121S89.8Confident91.6Very high33 Ų3362.5 Ų62.523%0.23131%0.311CS..Hα-helixtrans-47.6-40.2172.7-78.60000113.2S101 D123 I124 D125S101-S121 WeakPolarHBondContact CB-OG 3.38Å; S101-S121 WeakPolarHBondContact OG-CB 3.39Å; S101-S121 PolarHBondContact OG-N 3.06Å; S101-S121 PolarHBondContact OG-OG 3.46Å; S121-D123 PolarHBondContact O-N 3.13Å; S121-I124 PolarHBondContact O-N 2.77Å; S121-I124 VanDerWaalsContact O-N 3.13Å; S121-D125 WeakPolarHBondContact CB-OD2 3.46Å; S121-D125 WeakPolarHBondContact O-CA 3.16Å; S121-D125 WeakPolarHBondContact O-CB 3.37Å; S121-D125 PolarHBondContact O-N 3.04Å
122R89.6Confident91.5Very high169 Ų16963.4 Ų63.464%0.63831%0.312SS*.Hα-helixtrans-64.5-25-176-73.3-175.3-73.4-172.9-2.4113.5T120T120-R122 PolarHBondContact O-N 3.36Å; T120-R122 VanDerWaalsContact O-N 3.1Å; T120-R122 PolarHBondContact OG1-N 3.46Å
123D90Very high91.5Very high50 Ų5069 Ų6927%0.26733%0.328SS..Hα-helixtrans-83-23.6-177.8-47.4-52000111V119 T120 S121V119-D123 HydrophobicContact CG2-CB 4.34Å; T120-D123 WeakPolarHBondContact CA-OD2 3.47Å; T120-D123 WeakPolarHBondContact CB-OD2 3.39Å; T120-D123 PolarHBondContact N-OD2 3.31Å; T120-D123 WeakPolarHBondContact O-CB 3.47Å; T120-D123 PolarHBondContact O-N 3.49Å; T120-D123 PolarHBondContact OG1-OD2 2.9Å; S121-D123 PolarHBondContact O-N 3.13Å
124I89.3Confident91.3Very high0 Ų072.4 Ų72.40%034%0.341CS..Hα-helixtrans-121.3-12.3-172.667.6172.9000115.2V88 V91 F92 V119 S121 F126 L127V88-I124 HydrophobicContact CG1-CB 4.31Å; V88-I124 HydrophobicContact CG1-CG2 4.09Å; V88-I124 HydrophobicContact CG2-CG2 4.46Å; V91-I124 HydrophobicContact CB-CD1 4.25Å; V91-I124 HydrophobicContact CG1-CD1 3.56Å; F92-I124 HydrophobicContact CD1-CD1 4.46Å; F92-I124 HydrophobicContact CE1-CD1 4.12Å; F92-I124 HydrophobicContact CE2-CB 4.4Å; F92-I124 HydrophobicContact CE2-CD1 4.21Å; F92-I124 HydrophobicContact CZ-CB 4.24Å; F92-I124 HydrophobicContact CZ-CD1 3.99Å; F92-I124 HydrophobicContact CZ-CG1 4.15Å; V119-I124 HydrophobicContact CG2-CG2 3.78Å; S121-I124 PolarHBondContact O-N 2.77Å; S121-I124 VanDerWaalsContact O-N 3.13Å; I124-F126 PolarHBondContact O-N 2.88Å; I124-F126 VanDerWaalsContact O-N 3.13Å; I124-L127 HydrophobicContact CB-CD1 4.08Å; I124-L127 HydrophobicContact CG2-CD1 4.02Å; I124-L127 WeakPolarHBondContact O-CB 3.03Å; I124-L127 PolarHBondContact O-N 3.29Å
125D86Confident91.3Very high85 Ų8570 Ų7046%0.45533%0.332SS..THydrogen-bonded Turntrans-63.9-21.8-171.8-82.9-13.6000113.2K95 S121K95-D125 IonicContact NZ-OD1 2.69Å; K95-D125 PolarHBondContact NZ-OD1 3.49Å; S121-D125 WeakPolarHBondContact CB-OD2 3.46Å; S121-D125 WeakPolarHBondContact O-CA 3.16Å; S121-D125 WeakPolarHBondContact O-CB 3.37Å; S121-D125 PolarHBondContact O-N 3.04Å
126F87Confident91.1Very high200 Ų20069.9 Ų69.988%0.87733%0.332SS*.THydrogen-bonded Turntrans-1033.8177.8-61.2-68.7000113.8I124I124-F126 PolarHBondContact O-N 2.88Å; I124-F126 VanDerWaalsContact O-N 3.13Å
127L87Confident91Very high47 Ų4771.7 Ų71.725%0.24634%0.338CS..  trans-79.3141175.9-63.6-178.8000110.2V88 I124 D131V88-L127 HydrophobicContact CB-CD1 4.49Å; V88-L127 HydrophobicContact CG1-CD1 3.83Å; V88-L127 HydrophobicContact CG2-CD1 3.91Å; I124-L127 HydrophobicContact CB-CD1 4.08Å; I124-L127 HydrophobicContact CG2-CD1 4.02Å; I124-L127 WeakPolarHBondContact O-CB 3.03Å; I124-L127 PolarHBondContact O-N 3.29Å; L127-D131 HydrophobicContact CB-CB 3.91Å; L127-D131 HydrophobicContact CD2-CB 4.1Å; L127-D131 HydrophobicContact CG-CB 4.4Å
128S86.9Confident90.8Very high56 Ų5677.9 Ų77.939%0.39237%0.367SS..  trans-92.8170.2178.570.60000111.1K130 D131 Y132S128-K130 PolarHBondContact O-N 3.32Å; S128-D131 PolarHBondContact N-OD2 3.28Å; S128-D131 WeakPolarHBondContact O-CB 3.24Å; S128-D131 PolarHBondContact O-N 3.14Å; S128-D131 PolarHBondContact OG-OD2 2.83Å; S128-Y132 VanDerWaalsContact O-CD1 3.3Å; S128-Y132 WeakPolarHBondContact O-CD1 2.92Å
129E85.4Confident90.6Very high163 Ų16378.4 Ų78.476%0.76237%0.373SS*.G310 helixtrans-55.7-26.4176.2-69.6-175.1165.200113.2D131 Y132E129-D131 PolarHBondContact O-N 3.19Å; E129-Y132 HydrophobicContact CG-CE2 4.45Å; E129-Y132 WeakPolarHBondContact O-CB 3.24Å; E129-Y132 PolarHBondContact O-N 2.97Å
130K87.4Confident90.6Very high195 Ų19579.2 Ų79.285%0.84838%0.377SS*.G310 helixtrans-67.8-20.4176.6-60.2-180-179.4179.50113.2S128S128-K130 PolarHBondContact O-N 3.32Å
131D88.9Confident90.7Very high30 Ų3079.8 Ų79.816%0.1638%0.38CS..G310 helixtrans-94.9-0.9-177.3-59.7-70.7000112.3L127 S128 E129 E133 K134L127-D131 HydrophobicContact CB-CB 3.91Å; L127-D131 HydrophobicContact CD2-CB 4.1Å; L127-D131 HydrophobicContact CG-CB 4.4Å; S128-D131 PolarHBondContact N-OD2 3.28Å; S128-D131 WeakPolarHBondContact O-CB 3.24Å; S128-D131 PolarHBondContact O-N 3.14Å; S128-D131 PolarHBondContact OG-OD2 2.83Å; E129-D131 PolarHBondContact O-N 3.19Å; D131-E133 PolarHBondContact O-N 3.1Å; D131-K134 HydrophobicContact CB-CD 4.09Å; D131-K134 VanDerWaalsContact O-CB 3.28Å; D131-K134 WeakPolarHBondContact O-CB 3.48Å; D131-K134 PolarHBondContact O-N 2.93Å; D131-K134 VanDerWaalsContact O-N 3.08Å; D131-K134 VanDerWaalsContact OD1-CE 3.26Å; D131-K134 WeakPolarHBondContact OD1-CE 3.34Å; D131-K134 IonicContact OD1-NZ 3.3Å; D131-K134 PolarHBondContact OD1-NZ 3.02Å
132Y91Very high91Very high75 Ų7582 Ų8229%0.29439%0.386SS..THydrogen-bonded Turntrans-67.1-28.2-173.9-79.819.5000112.8T87 V88 G89 F92 S128 E129 K134T87-Y132 VanDerWaalsContact CB-O 3.31Å; T87-Y132 WeakPolarHBondContact CB-O 3.29Å; V88-Y132 HydrophobicContact CG1-CD1 4.43Å; V88-Y132 PolarHBondContact N-O 3.1Å; G89-Y132 PolarHBondContact N-O 3.13Å; F92-Y132 HydrophobicContact CD2-CD1 4.08Å; F92-Y132 AromaticContact CD2-CE1 3.58Å; F92-Y132 HydrophobicContact CD2-CE1 3.58Å; F92-Y132 HydrophobicContact CD2-CE2 4.18Å; F92-Y132 AromaticContact CD2-CZ 3.64Å; F92-Y132 AromaticContact CE2-CD1 3.97Å; F92-Y132 HydrophobicContact CE2-CD1 3.97Å; F92-Y132 AromaticContact CE2-CE1 3.33Å; F92-Y132 HydrophobicContact CE2-CE1 3.33Å; F92-Y132 AromaticContact CE2-CZ 3.77Å; F92-Y132 HydrophobicContact CZ-CE1 4.11Å; S128-Y132 VanDerWaalsContact O-CD1 3.3Å; S128-Y132 WeakPolarHBondContact O-CD1 2.92Å; E129-Y132 HydrophobicContact CG-CE2 4.45Å; E129-Y132 WeakPolarHBondContact O-CB 3.24Å; E129-Y132 PolarHBondContact O-N 2.97Å; Y132-K134 VanDerWaalsContact C-N 3.25Å; Y132-K134 PolarHBondContact O-N 2.82Å
133E92.9Very high91.3Very high157 Ų15776.9 Ų76.973%0.73437%0.366SS*.THydrogen-bonded Turntrans-77.7-7176.2-60.7-61.1148.800113.1D131 L135D131-E133 PolarHBondContact O-N 3.1Å; E133-L135 PolarHBondContact O-N 2.97Å
134K93.2Very high91.5Very high84 Ų8481.5 Ų81.537%0.36539%0.386SS..SBendtrans-64.5137.6177-73.7-179.2172.6163.70110.5T87 V88 D131 Y132T87-K134 CarbonylContact C-O 3.59Å; T87-K134 VanDerWaalsContact CA-O 3.3Å; T87-K134 WeakPolarHBondContact CA-O 3.28Å; V88-K134 HydrophobicContact CG2-CB 4.23Å; V88-K134 PolarHBondContact N-O 3.47Å; D131-K134 HydrophobicContact CB-CD 4.09Å; D131-K134 VanDerWaalsContact O-CB 3.28Å; D131-K134 WeakPolarHBondContact O-CB 3.48Å; D131-K134 PolarHBondContact O-N 2.93Å; D131-K134 VanDerWaalsContact O-N 3.08Å; D131-K134 VanDerWaalsContact OD1-CE 3.26Å; D131-K134 WeakPolarHBondContact OD1-CE 3.34Å; D131-K134 IonicContact OD1-NZ 3.3Å; D131-K134 PolarHBondContact OD1-NZ 3.02Å; Y132-K134 VanDerWaalsContact C-N 3.25Å; Y132-K134 PolarHBondContact O-N 2.82Å
135L95.8Very high91.7Very high52 Ų5286.6 Ų86.627%0.27241%0.414SS..BIsolated β-bridgetrans-68.9146.3176.3-62.4-177.7000111.1H85 H86 E133 E137 E138H85-L135 WeakPolarHBondContact O-CD2 3.22Å; H86-L135 CarbonylContact O-C 3.5Å; H86-L135 WeakPolarHBondContact O-CA 3.27Å; E133-L135 PolarHBondContact O-N 2.97Å; L135-E137 HydrophobicContact CB-CG 4.02Å; L135-E137 PolarHBondContact O-N 3.39Å; L135-E138 PolarHBondContact O-N 3.1Å; L135-E138 VanDerWaalsContact O-N 3.1Å
136L94.6Very high92.1Very high0 Ų083.6 Ų83.60%040%0.397CS..Hα-helixtrans-62.9-27.6177.9-71.6-171.8000112.4M82 P84 H86 V88 V91 V105 V119 E138 A139 M140M82-L136 HydrophobicContact CB-CD1 3.77Å; M82-L136 HydrophobicContact CG-CD1 4.42Å; M82-L136 HydrophobicContact SD-CD1 3.82Å; P84-L136 PolarHBondContact O-N 2.84Å; H86-L136 HydrophobicContact CB-CD1 3.83Å; H86-L136 HydrophobicContact CB-CG 4.22Å; H86-L136 WeakPolarHBondContact O-CG 3.48Å; H86-L136 PolarHBondContact O-N 3.29Å; V88-L136 HydrophobicContact CG2-CD2 4.33Å; V91-L136 HydrophobicContact CG2-CD1 3.9Å; V91-L136 HydrophobicContact CG2-CD2 3.52Å; V91-L136 HydrophobicContact CG2-CG 4.31Å; V105-L136 HydrophobicContact CG2-CD1 4.33Å; V119-L136 HydrophobicContact CG2-CD2 4.42Å; L136-E138 PolarHBondContact O-N 2.91Å; L136-A139 PolarHBondContact O-N 3.17Å; L136-M140 WeakPolarHBondContact O-CB 3.48Å; L136-M140 WeakPolarHBondContact O-CG 3.45Å; L136-M140 PolarHBondContact O-N 3.5Å
137E95.3Very high92.4Very high73 Ų7376.8 Ų76.834%0.34137%0.372SS..Hα-helixtrans-57.3-31.7175.276.2-176.5170.400113P84 L135 K142P84-E137 HydrophobicContact CB-CB 3.88Å; P84-E137 PolarHBondContact O-N 3.33Å; P84-E137 VanDerWaalsContact O-N 3.14Å; L135-E137 HydrophobicContact CB-CG 4.02Å; L135-E137 PolarHBondContact O-N 3.39Å; E137-K142 VanDerWaalsContact O-CE 3.31Å; E137-K142 WeakPolarHBondContact O-CE 3.29Å; E137-K142 PolarHBondContact O-NZ 2.93Å
138E92.4Very high92.9Very high130 Ų13076.3 Ų76.361%0.60737%0.371SS*.Hα-helixtrans-83.2-30.4179.5-62.4179.7-153.700112.7L135 L136L135-E138 PolarHBondContact O-N 3.1Å; L135-E138 VanDerWaalsContact O-N 3.1Å; L136-E138 PolarHBondContact O-N 2.91Å
139A92.6Very high93.3Very high22 Ų2273.7 Ų73.718%0.18235%0.353CS..Hα-helixtrans-97-23.9-173.300000114.3V88 L136V88-A139 HydrophobicContact CG2-CB 3.94Å; L136-A139 PolarHBondContact O-N 3.17Å
140M94.6Very high93.8Very high17 Ų1769.7 Ų69.78%0.08434%0.341CS..SBendtrans-75.3154.6-174.273.1-176-176.500113.2V105 V116 V119 L136 K142V105-M140 HydrophobicContact CB-SD 3.66Å; V105-M140 HydrophobicContact CG1-SD 3.69Å; V105-M140 HydrophobicContact CG2-CB 4.36Å; V105-M140 HydrophobicContact CG2-SD 3.77Å; V116-M140 HydrophobicContact CB-CE 4.48Å; V116-M140 HydrophobicContact CG2-CE 4.25Å; V116-M140 WeakPolarHBondContact O-CE 3.26Å; V119-M140 HydrophobicContact CB-CB 4.42Å; L136-M140 WeakPolarHBondContact O-CB 3.48Å; L136-M140 WeakPolarHBondContact O-CG 3.45Å; L136-M140 PolarHBondContact O-N 3.5Å; M140-K142 HydrophobicContact CE-CD 4.05Å; M140-K142 PolarHBondContact O-N 3.2Å
141T95.3Very high94Very high38 Ų3862.8 Ų62.823%0.23332%0.32CS..EExtended strand (participates in β ladder)trans-69.9125.4162.5-56.20000109G117 I118 D145 L146G117-T141 CarbonylContact C-O 3.55Å; G117-T141 WeakPolarHBondContact CA-O 3.37Å; I118-T141 PolarHBondContact N-O 3.37Å; I118-T141 PolarHBondContact O-N 2.94Å; T141-D145 HydrophobicContact CG2-CB 3.79Å; T141-L146 HydrophobicContact CG2-CD2 3.5Å
142K95.9Very high94Very high78 Ų7865.2 Ų65.234%0.33935%0.353SS..EExtended strand (participates in β ladder)trans-73156.7-176.2-57.5-65-166.3170.80112.6E137 M140 E144 D145 L146E137-K142 VanDerWaalsContact O-CE 3.31Å; E137-K142 WeakPolarHBondContact O-CE 3.29Å; E137-K142 PolarHBondContact O-NZ 2.93Å; M140-K142 HydrophobicContact CE-CD 4.05Å; M140-K142 PolarHBondContact O-N 3.2Å; K142-E144 VanDerWaalsContact C-N 3.26Å; K142-E144 HydrophobicContact CB-CG 4.16Å; K142-E144 VanDerWaalsContact CB-OE1 3.24Å; K142-E144 WeakPolarHBondContact CB-OE1 3.15Å; K142-E144 WeakPolarHBondContact CB-OE2 3.38Å; K142-E144 PolarHBondContact O-N 2.88Å; K142-D145 PolarHBondContact O-N 2.83Å; K142-L146 WeakPolarHBondContact O-CG 3.3Å
143R95.4Very high94Very high62 Ų6262.6 Ų62.623%0.23434%0.344CS..G310 helixtrans-53.9-38.6-174.9178.257.1-171.189.2-0.6113.6L115 V116 D145 L146 D177L115-R143 WeakPolarHBondContact O-CD 3.49Å; V116-R143 PolarHBondContact O-N 3.49Å; V116-R143 VanDerWaalsContact O-N 3.11Å; R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 PolarHBondContact O-N 2.86Å; R143-L146 WeakPolarHBondContact O-CB 3.45Å; R143-L146 PolarHBondContact O-N 3.29Å; R143-D177 IonicContact CZ-OD1 2.69Å; R143-D177 VanDerWaalsContact CZ-OD1 3.3Å; R143-D177 IonicContact CZ-OD2 2.73Å; R143-D177 IonicContact NE-OD1 3.56Å; R143-D177 PolarHBondContact NE-OD1 3.33Å; R143-D177 IonicContact NE-OD2 3.06Å; R143-D177 PolarHBondContact NE-OD2 2.93Å; R143-D177 IonicContact NH2-OD1 3.83Å; R143-D177 PolarHBondContact NH2-OD1 3.41Å; R143-D177 IonicContact NH2-OD2 2.69Å
144E94.1Very high93.7Very high147 Ų14758.4 Ų58.469%0.68733%0.329SS*.G310 helixtrans-62.8-29.4179.354.1-89-154.500113.5K142K142-E144 VanDerWaalsContact C-N 3.26Å; K142-E144 HydrophobicContact CB-CG 4.16Å; K142-E144 VanDerWaalsContact CB-OE1 3.24Å; K142-E144 WeakPolarHBondContact CB-OE1 3.15Å; K142-E144 WeakPolarHBondContact CB-OE2 3.38Å; K142-E144 PolarHBondContact O-N 2.88Å
145D93.4Very high93.2Very high107 Ų10756.8 Ų56.857%0.57233%0.325SS*.G310 helixtrans-94.1-0.7179.6-65.5-43.9000113.1T141 K142 R143T141-D145 HydrophobicContact CG2-CB 3.79Å; K142-D145 PolarHBondContact O-N 2.83Å; R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 PolarHBondContact O-N 2.86Å
146L94.4Very high92.7Very high22 Ų2261.9 Ų61.912%0.11535%0.345CS..  trans-85.7129.8-179.3-59.3-170000112.1L115 I118 T141 K142 R143 V148L115-L146 HydrophobicContact CD2-CD1 4.05Å; L115-L146 HydrophobicContact CG-CD1 4.37Å; I118-L146 HydrophobicContact CB-CD1 4.38Å; I118-L146 HydrophobicContact CB-CD2 4.36Å; I118-L146 HydrophobicContact CG2-CD1 4.35Å; I118-L146 HydrophobicContact CG2-CD2 3.49Å; I118-L146 VanDerWaalsContact CG2-CD2 3.49Å; T141-L146 HydrophobicContact CG2-CD2 3.5Å; K142-L146 WeakPolarHBondContact O-CG 3.3Å; R143-L146 WeakPolarHBondContact O-CB 3.45Å; R143-L146 PolarHBondContact O-N 3.29Å; L146-V148 HydrophobicContact CB-CG1 4.15Å
147V94.8Very high92.5Very high57 Ų5766.5 Ų66.535%0.34537%0.366SS..  trans-80.1120.3159.4-177.30000107.7I161 L170V147-I161 HydrophobicContact CG1-CG2 3.76Å; V147-L170 HydrophobicContact CG1-CD1 4.1Å; V147-L170 WeakPolarHBondContact O-CD1 3.28Å
148V96Very high92.2Very high37 Ų3763 Ų6322%0.22435%0.35CS..  trans-120.5164.8175.1-58.80000110L115 L146 P171 V173L115-V148 HydrophobicContact CD2-CG1 3.86Å; L146-V148 HydrophobicContact CB-CG1 4.15Å; V148-P171 WeakPolarHBondContact CA-O 3.46Å; V148-P171 HydrophobicContact CG1-CB 4.21Å; V148-P171 HydrophobicContact CG1-CG 4.47Å; V148-V173 HydrophobicContact CB-CG2 4.16Å; V148-V173 HydrophobicContact CG2-CG2 3.94Å
149A96.1Very high92Very high1 Ų158.4 Ų58.41%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-124.2150.7169.400000110.8V153 I161 L170 P171 I172 V173A149-V153 HydrophobicContact CB-CG1 4.14Å; A149-I161 HydrophobicContact CB-CD1 3.76Å; A149-L170 HydrophobicContact CB-CD1 4.24Å; A149-L170 HydrophobicContact CB-CD2 4.06Å; A149-L170 HydrophobicContact CB-CG 4.25Å; A149-P171 PolarHBondContact N-O 3.48Å; A149-I172 HydrophobicContact CB-CD1 3.73Å; A149-I172 CarbonylContact O-C 3.6Å; A149-I172 VanDerWaalsContact O-CA 3.27Å; A149-I172 WeakPolarHBondContact O-CA 3.46Å; A149-V173 PolarHBondContact O-N 2.78Å
150P95.7Very high91.9Very high80 Ų8060.4 Ų60.452%0.51934%0.337SS..EExtended strand (participates in β ladder)trans-71.9153.8179.629.9-35.2000111.9V153 V173P150-V153 WeakPolarHBondContact O-CB 3.46Å; P150-V153 WeakPolarHBondContact O-CG1 3.48Å; P150-V153 PolarHBondContact O-N 3.38Å; P150-V173 CarbonylContact C-O 3.42Å; P150-V173 WeakPolarHBondContact CA-O 3.33Å
151A92.6Very high91.8Very high49 Ų4961.3 Ų61.341%0.40534%0.342SS..THydrogen-bonded Turntrans-58.3143170.500000110.7V153 V173 N174 V180A151-V153 VanDerWaalsContact C-N 3.34Å; A151-V173 PolarHBondContact N-O 3.41Å; A151-N174 HydrophobicContact CB-CB 4.36Å; A151-V180 HydrophobicContact CB-CG2 4.34Å
152G88Confident91.6Very high82 Ų8259.6 Ų59.685%0.84533%0.331SS*.THydrogen-bonded Turntrans87-4.2-17500000115
153V91.3Very high91.2Very high19 Ų1962.8 Ų62.812%0.11535%0.347CS..  trans-57.4138.3172.369.70000111.1F75 A149 P150 A151 E157 A158 I172F75-V153 HydrophobicContact CE1-CG1 3.95Å; F75-V153 HydrophobicContact CZ-CG1 4.17Å; F75-V153 VanDerWaalsContact CZ-O 3.24Å; F75-V153 WeakPolarHBondContact CZ-O 3.48Å; A149-V153 HydrophobicContact CB-CG1 4.14Å; P150-V153 WeakPolarHBondContact O-CB 3.46Å; P150-V153 WeakPolarHBondContact O-CG1 3.48Å; P150-V153 PolarHBondContact O-N 3.38Å; A151-V153 VanDerWaalsContact C-N 3.34Å; V153-E157 HydrophobicContact CG2-CB 3.52Å; V153-A158 HydrophobicContact CG1-CB 4.18Å; V153-A158 HydrophobicContact CG2-CB 4.24Å; V153-I172 HydrophobicContact CG1-CD1 3.94Å; V153-I172 HydrophobicContact CG1-CG2 4.38Å
154T86.9Confident91.1Very high69 Ų6968.7 Ų68.742%0.42337%0.37SS..  trans-75.1155.8174.567.80000110.7K156 E157 A158T154-K156 PolarHBondContact O-N 3.17Å; T154-E157 WeakPolarHBondContact CB-OE2 3.28Å; T154-E157 WeakPolarHBondContact CG2-OE2 3.34Å; T154-E157 PolarHBondContact N-OE2 2.95Å; T154-E157 PolarHBondContact O-N 3.09Å; T154-E157 VanDerWaalsContact OG1-CG 3.25Å; T154-E157 WeakPolarHBondContact OG1-CG 3.4Å; T154-E157 PolarHBondContact OG1-N 2.89Å; T154-E157 PolarHBondContact OG1-OE2 2.87Å; T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 2.89Å
155L83.1Confident91Very high51 Ų5163 Ų6327%0.26735%0.347SS..Hα-helixtrans-57.6-35.8176.9-172.663.3000111.8F75 N159 I183 K203F75-L155 HydrophobicContact CD2-CD1 4.38Å; F75-L155 HydrophobicContact CE2-CB 3.95Å; F75-L155 HydrophobicContact CE2-CD1 4.03Å; L155-N159 WeakPolarHBondContact O-CB 3.37Å; L155-N159 PolarHBondContact O-N 3.19Å; L155-N159 PolarHBondContact O-ND2 2.81Å; L155-N159 PolarHBondContact O-OD1 3.35Å; L155-I183 HydrophobicContact CD1-CD1 4.06Å; L155-K203 HydrophobicContact CD2-CG 4.39Å
156K85.1Confident90.8Very high159 Ų15965.6 Ų65.669%0.69135%0.352SS*.Hα-helixtrans-63.1-50.9178-174.8-176.6175.2-170.50111.2T154 A158 N159 D160T154-K156 PolarHBondContact O-N 3.17Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 2.93Å; K156-N159 WeakPolarHBondContact O-CB 3.45Å; K156-N159 PolarHBondContact O-N 2.86Å; K156-D160 PolarHBondContact O-N 3.06Å
157E89.8Confident90.6Very high97 Ų9769 Ų6945%0.45337%0.366SS..Hα-helixtrans-62.8-42.1178.5-69.9159.1157.300111.7V153 T154 N159 D160 I161V153-E157 HydrophobicContact CG2-CB 3.52Å; T154-E157 WeakPolarHBondContact CB-OE2 3.28Å; T154-E157 WeakPolarHBondContact CG2-OE2 3.34Å; T154-E157 PolarHBondContact N-OE2 2.95Å; T154-E157 PolarHBondContact O-N 3.09Å; T154-E157 VanDerWaalsContact OG1-CG 3.25Å; T154-E157 WeakPolarHBondContact OG1-CG 3.4Å; T154-E157 PolarHBondContact OG1-N 2.89Å; T154-E157 PolarHBondContact OG1-OE2 2.87Å; E157-N159 VanDerWaalsContact C-N 3.29Å; E157-N159 PolarHBondContact O-N 3.06Å; E157-D160 WeakPolarHBondContact O-CB 3.32Å; E157-D160 PolarHBondContact O-N 3.44Å; E157-D160 VanDerWaalsContact O-N 3.13Å; E157-I161 WeakPolarHBondContact O-CG1 3.3Å; E157-I161 PolarHBondContact O-N 3.14Å
158A89.8Confident90.4Very high0 Ų067.6 Ų67.60%036%0.364CS..Hα-helixtrans-61.8-38.4176.600000112.1V153 T154 K156 I161 L162 L170 I183V153-A158 HydrophobicContact CG1-CB 4.18Å; V153-A158 HydrophobicContact CG2-CB 4.24Å; T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 2.89Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 2.93Å; A158-I161 PolarHBondContact O-N 3.09Å; A158-L162 WeakPolarHBondContact O-CB 3.38Å; A158-L162 PolarHBondContact O-N 3.42Å; A158-L170 HydrophobicContact CB-CD2 4.04Å; A158-L170 WeakPolarHBondContact O-CD2 3.37Å; A158-I183 HydrophobicContact CB-CD1 3.3Å
159N86.8Confident90.3Very high32 Ų3267.9 Ų67.917%0.17136%0.362CS..Hα-helixtrans-64.3-40.7173.9-65.6-23.3000111.8L155 K156 E157 I161 L162 Q163 L188L155-N159 WeakPolarHBondContact O-CB 3.37Å; L155-N159 PolarHBondContact O-N 3.19Å; L155-N159 PolarHBondContact O-ND2 2.81Å; L155-N159 PolarHBondContact O-OD1 3.35Å; K156-N159 WeakPolarHBondContact O-CB 3.45Å; K156-N159 PolarHBondContact O-N 2.86Å; E157-N159 VanDerWaalsContact C-N 3.29Å; E157-N159 PolarHBondContact O-N 3.06Å; N159-I161 VanDerWaalsContact C-N 3.34Å; N159-I161 PolarHBondContact O-N 3.33Å; N159-L162 PolarHBondContact O-N 3.23Å; N159-Q163 WeakPolarHBondContact O-CB 3.3Å; N159-Q163 PolarHBondContact O-N 3.47Å; N159-L188 HydrophobicContact CB-CD1 4.01Å; N159-L188 HydrophobicContact CB-CD2 3.95Å; N159-L188 WeakPolarHBondContact ND2-CD2 3.3Å; N159-L188 WeakPolarHBondContact OD1-CD1 3.26Å; N159-L188 WeakPolarHBondContact OD1-CD2 3.28Å; N159-L188 WeakPolarHBondContact OD1-CG 3.42Å
160D90.6Very high90.2Very high65 Ų6567.9 Ų67.935%0.34836%0.362SS..Hα-helixtrans-65.4-37176.8-65.9-23.6000111.8K156 E157 R164K156-D160 PolarHBondContact O-N 3.06Å; E157-D160 WeakPolarHBondContact O-CB 3.32Å; E157-D160 PolarHBondContact O-N 3.44Å; E157-D160 VanDerWaalsContact O-N 3.13Å; D160-R164 WeakPolarHBondContact O-CB 3.48Å; D160-R164 VanDerWaalsContact O-CG 3.32Å; D160-R164 WeakPolarHBondContact O-CG 3.22Å; D160-R164 PolarHBondContact O-N 3.2Å; D160-R164 PolarHBondContact O-NE 3.18Å; D160-R164 VanDerWaalsContact O-NE 3.14Å
161I92.9Very high90.2Very high36 Ų3664.2 Ų64.219%0.18534%0.338CS..Hα-helixtrans-65.9-45.9173.7-66166.9000110.4V147 A149 E157 A158 N159 Q163 R164 S165 L170V147-I161 HydrophobicContact CG1-CG2 3.76Å; A149-I161 HydrophobicContact CB-CD1 3.76Å; E157-I161 WeakPolarHBondContact O-CG1 3.3Å; E157-I161 PolarHBondContact O-N 3.14Å; A158-I161 PolarHBondContact O-N 3.09Å; N159-I161 VanDerWaalsContact C-N 3.34Å; N159-I161 PolarHBondContact O-N 3.33Å; I161-Q163 VanDerWaalsContact C-N 3.32Å; I161-Q163 PolarHBondContact O-N 3.01Å; I161-R164 PolarHBondContact O-N 3.15Å; I161-S165 VanDerWaalsContact O-CB 3.31Å; I161-S165 WeakPolarHBondContact O-CB 3.41Å; I161-S165 PolarHBondContact O-N 3.32Å; I161-S165 PolarHBondContact O-OG 2.89Å; I161-L170 HydrophobicContact CB-CD2 3.99Å; I161-L170 HydrophobicContact CG2-CD1 3.73Å; I161-L170 HydrophobicContact CG2-CD2 3.87Å; I161-L170 HydrophobicContact CG2-CG 4.48Å
162L90.9Very high90.4Very high2 Ų262 Ų621%0.0132%0.319CS..Hα-helixtrans-65.9-35.9180-166.368.5000111.8A158 N159 S165 K166 K167 L170 I183 R185 L188A158-L162 WeakPolarHBondContact O-CB 3.38Å; A158-L162 PolarHBondContact O-N 3.42Å; N159-L162 PolarHBondContact O-N 3.23Å; L162-S165 WeakPolarHBondContact CA-OG 3.47Å; L162-S165 PolarHBondContact O-OG 3.31Å; L162-K166 PolarHBondContact O-N 2.88Å; L162-K166 VanDerWaalsContact O-N 3.13Å; L162-K167 WeakPolarHBondContact CD1-O 3.3Å; L162-L170 HydrophobicContact CD1-CB 3.77Å; L162-I183 HydrophobicContact CD2-CG2 4.2Å; L162-R185 HydrophobicContact CD2-CB 3.69Å; L162-R185 HydrophobicContact CD2-CG 4.34Å; L162-R185 HydrophobicContact CG-CB 4.27Å; L162-L188 HydrophobicContact CD2-CD1 3.83Å
163Q88.1Confident90.8Very high144 Ų14458.5 Ų58.567%0.67328%0.282SS*.Hα-helixtrans-67.2-45.2175.3-176172.8-3.900112N159 I161 K166N159-Q163 WeakPolarHBondContact O-CB 3.3Å; N159-Q163 PolarHBondContact O-N 3.47Å; I161-Q163 VanDerWaalsContact C-N 3.32Å; I161-Q163 PolarHBondContact O-N 3.01Å; Q163-K166 PolarHBondContact O-N 3.32Å
164R92.1Very high91Very high186 Ų18659.8 Ų59.870%0.70229%0.288SS*.Hα-helixtrans-66.6-44.9177.9-75.9-179.5-76.4173.5-5.1112.5D160 I161 K166D160-R164 WeakPolarHBondContact O-CB 3.48Å; D160-R164 VanDerWaalsContact O-CG 3.32Å; D160-R164 WeakPolarHBondContact O-CG 3.22Å; D160-R164 PolarHBondContact O-N 3.2Å; D160-R164 PolarHBondContact O-NE 3.18Å; D160-R164 VanDerWaalsContact O-NE 3.14Å; I161-R164 PolarHBondContact O-N 3.15Å; R164-K166 PolarHBondContact O-N 2.9Å
165S92.3Very high91.4Very high29 Ų2964.4 Ų64.420%0.20331%0.31CS..Hα-helixtrans-71-19.3-179.664.70000113.5I161 L162 K167I161-S165 VanDerWaalsContact O-CB 3.31Å; I161-S165 WeakPolarHBondContact O-CB 3.41Å; I161-S165 PolarHBondContact O-N 3.32Å; I161-S165 PolarHBondContact O-OG 2.89Å; L162-S165 WeakPolarHBondContact CA-OG 3.47Å; L162-S165 PolarHBondContact O-OG 3.31Å; S165-K167 PolarHBondContact O-N 3.17Å; S165-K167 PolarHBondContact OG-N 3.34Å
166K90Very high92Very high160 Ų16067.4 Ų67.470%0.69633%0.326SS*.  trans54.918.1-174.3-57.8178-178.2175.50113.2L162 Q163 R164L162-K166 PolarHBondContact O-N 2.88Å; L162-K166 VanDerWaalsContact O-N 3.13Å; Q163-K166 PolarHBondContact O-N 3.32Å; R164-K166 PolarHBondContact O-N 2.9Å
167K90.9Very high92.5Very high93 Ų9361.2 Ų61.240%0.40430%0.301SS..  trans-80.7162.8177.3-61.5-66.3-176.9164.90110.6L162 S165 R185L162-K167 WeakPolarHBondContact CD1-O 3.3Å; S165-K167 PolarHBondContact O-N 3.17Å; S165-K167 PolarHBondContact OG-N 3.34Å; K167-R185 WeakPolarHBondContact O-CD 3.2Å
168G89.9Confident92.8Very high29 Ų2959.8 Ų59.830%0.29929%0.294SS..SBendtrans-86.4-27.9-177.800000113.5R185G168-R185 VanDerWaalsContact O-CB 3.27Å; G168-R185 WeakPolarHBondContact O-CB 3.27Å; G168-R185 PolarHBondContact O-N 2.93Å
169K92.8Very high93.2Very high43 Ų4359.9 Ų59.919%0.18729%0.294CS..EExtended strand (participates in β ladder)trans-135152.2-179.8-60.3-60.5-16888.20109.1G102 I118 I182 I183 A184G102-K169 PolarHBondContact O-NZ 3.33Å; I118-K169 HydrophobicContact CD1-CB 3.76Å; I118-K169 HydrophobicContact CD1-CG 4.15Å; K169-I182 HydrophobicContact CB-CD1 3.93Å; K169-I182 HydrophobicContact CB-CG1 4.27Å; K169-I182 HydrophobicContact CD-CD1 4.49Å; K169-I182 HydrophobicContact CG-CD1 4.28Å; K169-I183 CarbonylContact C-O 3.5Å; K169-I183 VanDerWaalsContact CA-O 3.24Å; K169-I183 WeakPolarHBondContact CA-O 3.45Å; K169-A184 HydrophobicContact CD-CB 3.55Å
170L94.9Very high93.5Very high0 Ų061.4 Ų61.40%031%0.305CS..EExtended strand (participates in β ladder)trans-131.8104175.6175.766.2000108.9V147 A149 A158 I161 L162 I172 I182 I183V147-L170 HydrophobicContact CG1-CD1 4.1Å; V147-L170 WeakPolarHBondContact O-CD1 3.28Å; A149-L170 HydrophobicContact CB-CD1 4.24Å; A149-L170 HydrophobicContact CB-CD2 4.06Å; A149-L170 HydrophobicContact CB-CG 4.25Å; A158-L170 HydrophobicContact CB-CD2 4.04Å; A158-L170 WeakPolarHBondContact O-CD2 3.37Å; I161-L170 HydrophobicContact CB-CD2 3.99Å; I161-L170 HydrophobicContact CG2-CD1 3.73Å; I161-L170 HydrophobicContact CG2-CD2 3.87Å; I161-L170 HydrophobicContact CG2-CG 4.48Å; L162-L170 HydrophobicContact CD1-CB 3.77Å; L170-I172 HydrophobicContact CD2-CD1 4.37Å; L170-I172 HydrophobicContact CG-CD1 4.19Å; L170-I182 WeakPolarHBondContact O-CA 3.17Å; L170-I183 HydrophobicContact CB-CB 4.41Å; L170-I183 PolarHBondContact N-O 3.31Å; L170-I183 PolarHBondContact O-N 3.28Å
171P96.2Very high93.6Very high3 Ų358.5 Ų58.52%0.01929%0.29CS..EExtended strand (participates in β ladder)trans-67.1142.9171.2-18.932.9000111.5L115 I118 V148 A149 L179L115-P171 HydrophobicContact CD2-CB 3.57Å; L115-P171 HydrophobicContact CD2-CG 4.01Å; I118-P171 HydrophobicContact CD1-CG 4.48Å; V148-P171 WeakPolarHBondContact CA-O 3.46Å; V148-P171 HydrophobicContact CG1-CB 4.21Å; V148-P171 HydrophobicContact CG1-CG 4.47Å; A149-P171 PolarHBondContact N-O 3.48Å; P171-L179 HydrophobicContact CB-CD1 3.98Å
172I95.4Very high93.6Very high3 Ų356.9 Ų56.92%0.01528%0.281CS..EExtended strand (participates in β ladder)trans-111.6122.2176.1-47.2-57.6000108.1F75 A149 V153 L170 V180 S181 I183F75-I172 HydrophobicContact CD1-CG1 4.09Å; F75-I172 HydrophobicContact CE1-CD1 4.25Å; F75-I172 HydrophobicContact CE1-CG1 4.08Å; A149-I172 HydrophobicContact CB-CD1 3.73Å; A149-I172 CarbonylContact O-C 3.6Å; A149-I172 VanDerWaalsContact O-CA 3.27Å; A149-I172 WeakPolarHBondContact O-CA 3.46Å; V153-I172 HydrophobicContact CG1-CD1 3.94Å; V153-I172 HydrophobicContact CG1-CG2 4.38Å; L170-I172 HydrophobicContact CD2-CD1 4.37Å; L170-I172 HydrophobicContact CG-CD1 4.19Å; I172-V180 PolarHBondContact O-N 3.17Å; I172-S181 WeakPolarHBondContact CB-O 3.38Å; I172-S181 WeakPolarHBondContact CB-OG 3.38Å; I172-S181 VanDerWaalsContact CG1-OG 3.29Å; I172-S181 WeakPolarHBondContact CG1-OG 3.3Å; I172-S181 PolarHBondContact N-O 3.22Å; I172-S181 PolarHBondContact O-N 3.07Å; I172-I183 HydrophobicContact CD1-CD1 4.33Å
173V96.8Very high93.6Very high9 Ų957 Ų576%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-123150.7-175.3-62.50000111.6L115 V148 A149 P150 A151 E178L115-V173 HydrophobicContact CB-CG1 4.1Å; L115-V173 HydrophobicContact CD2-CG1 3.82Å; V148-V173 HydrophobicContact CB-CG2 4.16Å; V148-V173 HydrophobicContact CG2-CG2 3.94Å; A149-V173 PolarHBondContact O-N 2.78Å; P150-V173 CarbonylContact C-O 3.42Å; P150-V173 WeakPolarHBondContact CA-O 3.33Å; A151-V173 PolarHBondContact N-O 3.41Å; V173-E178 WeakPolarHBondContact CA-O 3.27Å
174N95.6Very high93.6Very high45 Ų4550.2 Ų50.224%0.24125%0.251CS..  trans-83.4-175.1171.169.410.4000111.5A151 N176 D177 E178 V180A151-N174 HydrophobicContact CB-CB 4.36Å; N174-N176 PolarHBondContact O-N 2.9Å; N174-N176 WeakPolarHBondContact OD1-CA 3.21Å; N174-N176 WeakPolarHBondContact OD1-CB 3.47Å; N174-N176 PolarHBondContact OD1-N 3.31Å; N174-D177 PolarHBondContact O-N 3.45Å; N174-D177 PolarHBondContact OD1-N 3.39Å; N174-E178 PolarHBondContact N-O 2.92Å; N174-E178 VanDerWaalsContact N-O 3.09Å; N174-E178 PolarHBondContact ND2-OE2 2.97Å; N174-E178 WeakPolarHBondContact OD1-CB 3.44Å; N174-E178 PolarHBondContact OD1-N 2.87Å; N174-V180 HydrophobicContact CB-CG2 3.99Å
175D95.6Very high93.4Very high166 Ų16646.5 Ų46.589%0.88824%0.237SC*.THydrogen-bonded Turntrans-64.3-20-178.8-59.5-30.2000113.6D177D175-D177 VanDerWaalsContact C-N 3.32Å
176N95.8Very high93Very high114 Ų11448.9 Ų48.961%0.6125%0.25SC*.THydrogen-bonded Turntrans-90.36.6175.8-63-30.3000113.1N174 E178N174-N176 PolarHBondContact O-N 2.9Å; N174-N176 WeakPolarHBondContact OD1-CA 3.21Å; N174-N176 WeakPolarHBondContact OD1-CB 3.47Å; N174-N176 PolarHBondContact OD1-N 3.31Å; N176-E178 HydrophobicContact CB-CG 4Å; N176-E178 PolarHBondContact O-N 3.34Å
177D95.6Very high92.6Very high30 Ų3041.9 Ų41.916%0.1622%0.22CC..  trans6423.9-174.5-153.735.3000114.2K114 L115 R143 N174 D175K114-D177 WeakPolarHBondContact CA-O 3.38Å; K114-D177 HydrophobicContact CG-CB 4.31Å; L115-D177 PolarHBondContact N-O 2.82Å; R143-D177 IonicContact CZ-OD1 2.69Å; R143-D177 VanDerWaalsContact CZ-OD1 3.3Å; R143-D177 IonicContact CZ-OD2 2.73Å; R143-D177 IonicContact NE-OD1 3.56Å; R143-D177 PolarHBondContact NE-OD1 3.33Å; R143-D177 IonicContact NE-OD2 3.06Å; R143-D177 PolarHBondContact NE-OD2 2.93Å; R143-D177 IonicContact NH2-OD1 3.83Å; R143-D177 PolarHBondContact NH2-OD1 3.41Å; R143-D177 IonicContact NH2-OD2 2.69Å; N174-D177 PolarHBondContact O-N 3.45Å; N174-D177 PolarHBondContact OD1-N 3.39Å; D175-D177 VanDerWaalsContact C-N 3.32Å
178E97Very high92.1Very high67 Ų6739.9 Ų39.931%0.31321%0.214SC..BIsolated β-bridgetrans-85.7137.4176.6-60168.1151.800110.8G112 S113 V173 N174 N176 V180G112-E178 WeakPolarHBondContact O-CB 3.37Å; G112-E178 WeakPolarHBondContact O-CG 3.28Å; S113-E178 WeakPolarHBondContact O-CA 3.36Å; V173-E178 WeakPolarHBondContact CA-O 3.27Å; N174-E178 PolarHBondContact N-O 2.92Å; N174-E178 VanDerWaalsContact N-O 3.09Å; N174-E178 PolarHBondContact ND2-OE2 2.97Å; N174-E178 WeakPolarHBondContact OD1-CB 3.44Å; N174-E178 PolarHBondContact OD1-N 2.87Å; N176-E178 HydrophobicContact CB-CG 4Å; N176-E178 PolarHBondContact O-N 3.34Å; E178-V180 PolarHBondContact O-N 2.96Å
179L96.4Very high91.8Very high1 Ų143.4 Ų43.41%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-70.6118.4-178.5-178.967.2000111.5V81 P104 T106 M111 G112 S113 L115 P171 S181V81-L179 HydrophobicContact CG1-CD2 3.7Å; P104-L179 HydrophobicContact CB-CD2 3.63Å; P104-L179 HydrophobicContact CG-CD2 3.64Å; T106-L179 HydrophobicContact CG2-CB 4.01Å; T106-L179 HydrophobicContact CG2-CD2 3.91Å; M111-L179 HydrophobicContact CE-CD2 4.3Å; M111-L179 HydrophobicContact CE-CG 4.04Å; M111-L179 WeakPolarHBondContact CE-O 3.37Å; M111-L179 HydrophobicContact SD-CD2 3.58Å; M111-L179 VanDerWaalsContact SD-CD2 3.58Å; M111-L179 HydrophobicContact SD-CG 3.99Å; G112-L179 WeakPolarHBondContact CA-O 3.34Å; G112-L179 PolarHBondContact N-O 3.39Å; G112-L179 VanDerWaalsContact N-O 3.12Å; S113-L179 PolarHBondContact O-N 2.89Å; L115-L179 HydrophobicContact CD1-CD1 4.34Å; L115-L179 HydrophobicContact CD1-CD2 4.49Å; P171-L179 HydrophobicContact CB-CD1 3.98Å; L179-S181 WeakPolarHBondContact CD1-O 3.44Å
180V94Very high91.5Very high64 Ų6443.4 Ų43.439%0.38822%0.221SC..EExtended strand (participates in β ladder)trans-99.4-44.2178.1-1800000111.6M111 A151 I172 N174 E178M111-V180 WeakPolarHBondContact CE-O 3.41Å; A151-V180 HydrophobicContact CB-CG2 4.34Å; I172-V180 PolarHBondContact O-N 3.17Å; N174-V180 HydrophobicContact CB-CG2 3.99Å; E178-V180 PolarHBondContact O-N 2.96Å
181S92.6Very high90.9Very high5 Ų546.4 Ų46.44%0.03524%0.237CC..EExtended strand (participates in β ladder)trans-161.4175.817960.40000111.6I76 I172 L179I76-S181 CarbonylContact O-C 3.51Å; I76-S181 WeakPolarHBondContact O-CA 3.39Å; I76-S181 WeakPolarHBondContact O-CB 3.44Å; I172-S181 WeakPolarHBondContact CB-O 3.38Å; I172-S181 WeakPolarHBondContact CB-OG 3.38Å; I172-S181 VanDerWaalsContact CG1-OG 3.29Å; I172-S181 WeakPolarHBondContact CG1-OG 3.3Å; I172-S181 PolarHBondContact N-O 3.22Å; I172-S181 PolarHBondContact O-N 3.07Å; L179-S181 WeakPolarHBondContact CD1-O 3.44Å
182I92.6Very high90.3Very high1 Ų154.8 Ų54.81%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-137.3146.2174.5-168.1170.4000111I76 P79 P104 I118 K169 L170I76-I182 HydrophobicContact CB-CG2 3.71Å; I76-I182 VanDerWaalsContact CB-O 3.25Å; I76-I182 WeakPolarHBondContact CB-O 3.43Å; I76-I182 HydrophobicContact CD1-CG2 4.01Å; I76-I182 HydrophobicContact CG1-CG2 4.44Å; I76-I182 HydrophobicContact CG2-CG2 4.01Å; I76-I182 PolarHBondContact N-O 2.86Å; I76-I182 PolarHBondContact O-N 2.96Å; P79-I182 HydrophobicContact CB-CG2 3.69Å; P79-I182 HydrophobicContact CG-CG2 3.95Å; P104-I182 HydrophobicContact CG-CD1 4.21Å; I118-I182 HydrophobicContact CD1-CD1 3.93Å; K169-I182 HydrophobicContact CB-CD1 3.93Å; K169-I182 HydrophobicContact CB-CG1 4.27Å; K169-I182 HydrophobicContact CD-CD1 4.49Å; K169-I182 HydrophobicContact CG-CD1 4.28Å; L170-I182 WeakPolarHBondContact O-CA 3.17Å
183I90.4Very high89.9Confident4 Ų458.8 Ų58.82%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-112.2141173.4-67.5178.4000109.5G74 F75 L155 A158 L162 K169 L170 I172G74-I183 WeakPolarHBondContact O-CG1 3.44Å; F75-I183 HydrophobicContact CD1-CD1 3.6Å; F75-I183 HydrophobicContact CD1-CG1 3.87Å; F75-I183 HydrophobicContact CE1-CD1 3.32Å; F75-I183 HydrophobicContact CE1-CG1 4.11Å; F75-I183 HydrophobicContact CE2-CD1 4.36Å; F75-I183 HydrophobicContact CG-CD1 4.24Å; F75-I183 HydrophobicContact CG-CG1 4.41Å; F75-I183 HydrophobicContact CZ-CD1 3.73Å; L155-I183 HydrophobicContact CD1-CD1 4.06Å; A158-I183 HydrophobicContact CB-CD1 3.3Å; L162-I183 HydrophobicContact CD2-CG2 4.2Å; K169-I183 CarbonylContact C-O 3.5Å; K169-I183 VanDerWaalsContact CA-O 3.24Å; K169-I183 WeakPolarHBondContact CA-O 3.45Å; L170-I183 HydrophobicContact CB-CB 4.41Å; L170-I183 PolarHBondContact N-O 3.31Å; L170-I183 PolarHBondContact O-N 3.28Å; I172-I183 HydrophobicContact CD1-CD1 4.33Å
184A89.1Confident89.6Confident2 Ų260.8 Ų60.82%0.01730%0.297CS..EExtended strand (participates in β ladder)trans-113.5134.7177.900000112.7I76 K169 T186 D187I76-A184 HydrophobicContact CD1-CB 4.38Å; K169-A184 HydrophobicContact CD-CB 3.55Å; A184-T186 WeakPolarHBondContact CB-OG1 3.36Å; A184-T186 PolarHBondContact O-N 2.92Å; A184-D187 PolarHBondContact O-N 2.95Å
185R87.3Confident89.4Confident108 Ų10863.7 Ų63.741%0.40832%0.318SS..Hα-helixtrans-63-27.1177-174.2175.6176.1-170.20.2112.3L162 K167 G168 D187 L188 K189L162-R185 HydrophobicContact CD2-CB 3.69Å; L162-R185 HydrophobicContact CD2-CG 4.34Å; L162-R185 HydrophobicContact CG-CB 4.27Å; K167-R185 WeakPolarHBondContact O-CD 3.2Å; G168-R185 VanDerWaalsContact O-CB 3.27Å; G168-R185 WeakPolarHBondContact O-CB 3.27Å; G168-R185 PolarHBondContact O-N 2.93Å; R185-D187 PolarHBondContact O-N 3.38Å; R185-L188 WeakPolarHBondContact O-CB 3.13Å; R185-L188 PolarHBondContact O-N 3.46Å; R185-K189 PolarHBondContact O-N 2.91Å; R185-K189 VanDerWaalsContact O-N 3.13Å
186T84.6Confident89.3Confident79 Ų7959.4 Ų59.449%0.48529%0.294SS..Hα-helixtrans-60.2-34.8174.546.10000111.8A184 K189 K190A184-T186 WeakPolarHBondContact CB-OG1 3.36Å; A184-T186 PolarHBondContact O-N 2.92Å; T186-K189 PolarHBondContact O-N 3.49Å; T186-K190 WeakPolarHBondContact O-CG 3.45Å; T186-K190 PolarHBondContact O-N 3.4Å
187D81.8Confident89.2Confident14 Ų1454.6 Ų54.68%0.07527%0.271CS..Hα-helixtrans-75.7-30.4-179.2-61.4-21.7000111.2E72 A184 R185 K190 N191E72-D187 HydrophobicContact CG-CB 4.13Å; A184-D187 PolarHBondContact O-N 2.95Å; R185-D187 PolarHBondContact O-N 3.38Å; D187-K190 PolarHBondContact O-N 3.04Å; D187-K190 IonicContact OD1-NZ 3.61Å; D187-K190 PolarHBondContact OD1-NZ 3.31Å; D187-N191 WeakPolarHBondContact O-CB 3.34Å; D187-N191 PolarHBondContact O-N 2.83Å; D187-N191 PolarHBondContact O-ND2 3.37Å
188L80.1Confident89.2Confident50 Ų5053.4 Ų53.426%0.26227%0.265SS..Hα-helixtrans-63.8-42.8167.6-74.3175.6000113.2N159 L162 R185 N191 R192N159-L188 HydrophobicContact CB-CD1 4.01Å; N159-L188 HydrophobicContact CB-CD2 3.95Å; N159-L188 WeakPolarHBondContact ND2-CD2 3.3Å; N159-L188 WeakPolarHBondContact OD1-CD1 3.26Å; N159-L188 WeakPolarHBondContact OD1-CD2 3.28Å; N159-L188 WeakPolarHBondContact OD1-CG 3.42Å; L162-L188 HydrophobicContact CD2-CD1 3.83Å; R185-L188 WeakPolarHBondContact O-CB 3.13Å; R185-L188 PolarHBondContact O-N 3.46Å; L188-N191 PolarHBondContact O-N 3.43Å; L188-R192 PolarHBondContact O-N 3.14Å; L188-R192 VanDerWaalsContact O-N 3.15Å
189K84.5Confident89.1Confident104 Ų10452.3 Ų52.345%0.45226%0.259SS..Hα-helixtrans-62.1-47.1175.8-71.5-175.4176-174.20110.6R185 T186 N191 R192 D193R185-K189 PolarHBondContact O-N 2.91Å; R185-K189 VanDerWaalsContact O-N 3.13Å; T186-K189 PolarHBondContact O-N 3.49Å; K189-N191 PolarHBondContact O-N 2.81Å; K189-R192 WeakPolarHBondContact O-CB 3.31Å; K189-R192 PolarHBondContact O-N 3.17Å; K189-R192 VanDerWaalsContact O-N 3.13Å; K189-D193 WeakPolarHBondContact O-CB 3.34Å; K189-D193 PolarHBondContact O-N 3.15Å
190K85.2Confident88.9Confident42 Ų4253.2 Ų53.218%0.18326%0.264CS..Hα-helixtrans-56.5-46.6175.9-71.6170.9-172.1162.10111.9F71 E72 T186 D187 R192 D193 Y194F71-K190 HydrophobicContact CD1-CD 4.45Å; F71-K190 HydrophobicContact CE1-CD 3.83Å; F71-K190 HydrophobicContact CZ-CD 4.48Å; F71-K190 PolarHBondContact O-NZ 3.06Å; E72-K190 HydrophobicContact CB-CD 4.48Å; E72-K190 HydrophobicContact CG-CD 4.23Å; T186-K190 WeakPolarHBondContact O-CG 3.45Å; T186-K190 PolarHBondContact O-N 3.4Å; D187-K190 PolarHBondContact O-N 3.04Å; D187-K190 IonicContact OD1-NZ 3.61Å; D187-K190 PolarHBondContact OD1-NZ 3.31Å; K190-R192 VanDerWaalsContact C-N 3.28Å; K190-R192 PolarHBondContact O-N 3.36Å; K190-D193 PolarHBondContact O-N 3.36Å; K190-Y194 HydrophobicContact CB-CD2 4.49Å; K190-Y194 WeakPolarHBondContact O-CB 3.31Å; K190-Y194 WeakPolarHBondContact O-CD2 3.47Å; K190-Y194 PolarHBondContact O-N 2.88Å
191N82.6Confident88.5Confident64 Ų6455.9 Ų55.934%0.34229%0.285SS..Hα-helixtrans-56.6-41176.6-85.9-67.7000113.2E72 D187 L188 K189 Y194 K199E72-N191 VanDerWaalsContact OE1-CG 3.27Å; E72-N191 PolarHBondContact OE1-ND2 3.4Å; E72-N191 PolarHBondContact OE1-OD1 2.94Å; D187-N191 WeakPolarHBondContact O-CB 3.34Å; D187-N191 PolarHBondContact O-N 2.83Å; D187-N191 PolarHBondContact O-ND2 3.37Å; L188-N191 PolarHBondContact O-N 3.43Å; K189-N191 PolarHBondContact O-N 2.81Å; N191-Y194 CarbonylContact O-C 3.55Å; N191-K199 PolarHBondContact OD1-NZ 2.97Å
192R83.8Confident88.2Confident178 Ų17862.6 Ų62.667%0.67231%0.31SS*.Hα-helixtrans-71.5-43.9178.1-176.5-165.365.7-179.81.4111.9L188 K189 K190 Y194L188-R192 PolarHBondContact O-N 3.14Å; L188-R192 VanDerWaalsContact O-N 3.15Å; K189-R192 WeakPolarHBondContact O-CB 3.31Å; K189-R192 PolarHBondContact O-N 3.17Å; K189-R192 VanDerWaalsContact O-N 3.13Å; K190-R192 VanDerWaalsContact C-N 3.28Å; K190-R192 PolarHBondContact O-N 3.36Å; R192-Y194 VanDerWaalsContact C-N 3.32Å
193D86.9Confident87.8Confident88 Ų8867.7 Ų67.747%0.47133%0.332SS..Hα-helixtrans-75.5-25.1-175.2-58.4-14.9000111.2K189 K190 P195K189-D193 WeakPolarHBondContact O-CB 3.34Å; K189-D193 PolarHBondContact O-N 3.15Å; K190-D193 PolarHBondContact O-N 3.36Å; D193-P195 WeakPolarHBondContact O-CD 3.3Å
194Y91.1Very high87.9Confident51 Ų5168.9 Ų68.920%0.234%0.337CS..  trans-124.270.5178.9-59-78.4000112L45 M46 K190 N191 R192 L196 A197L45-Y194 HydrophobicContact CB-CD1 3.8Å; L45-Y194 HydrophobicContact CB-CD2 4.49Å; L45-Y194 HydrophobicContact CB-CE1 4.2Å; L45-Y194 HydrophobicContact CB-CG 3.96Å; L45-Y194 HydrophobicContact CD1-CD2 4.36Å; L45-Y194 HydrophobicContact CD1-CE2 4.19Å; L45-Y194 HydrophobicContact CD2-CD2 3.86Å; L45-Y194 HydrophobicContact CD2-CE2 4.47Å; L45-Y194 HydrophobicContact CD2-CG 3.93Å; L45-Y194 HydrophobicContact CG-CD2 4.47Å; L45-Y194 HydrophobicContact CG-CG 4.38Å; M46-Y194 HydrophobicContact SD-CD1 3.75Å; M46-Y194 HydrophobicContact SD-CE1 3.8Å; K190-Y194 HydrophobicContact CB-CD2 4.49Å; K190-Y194 WeakPolarHBondContact O-CB 3.31Å; K190-Y194 WeakPolarHBondContact O-CD2 3.47Å; K190-Y194 PolarHBondContact O-N 2.88Å; N191-Y194 CarbonylContact O-C 3.55Å; R192-Y194 VanDerWaalsContact C-N 3.32Å; Y194-L196 PolarHBondContact O-N 3.4Å; Y194-A197 VanDerWaalsContact O-CB 3.29Å; Y194-A197 WeakPolarHBondContact O-CB 3.42Å; Y194-A197 PolarHBondContact O-N 3.21Å
195P90.2Very high88.2Confident106 Ų10668.8 Ų68.869%0.68834%0.336SS*.THydrogen-bonded Turntrans-69.1-18.7-17528.5-36.3000113.8D193D193-P195 WeakPolarHBondContact O-CD 3.3Å
196L93.4Very high88.7Confident75 Ų7564.1 Ų64.139%0.39332%0.32SS..THydrogen-bonded Turntrans-90.71.4178.2-62.1-178.8000113.2K23 T24 G47 Y194 S198K23-L196 HydrophobicContact CB-CB 4.24Å; K23-L196 VanDerWaalsContact CB-O 3.29Å; K23-L196 WeakPolarHBondContact CB-O 3.48Å; K23-L196 VanDerWaalsContact CG-O 3.24Å; K23-L196 WeakPolarHBondContact CG-O 3.29Å; T24-L196 HydrophobicContact CG2-CD1 4.42Å; G47-L196 WeakPolarHBondContact CA-O 3.44Å; G47-L196 PolarHBondContact N-O 3.22Å; Y194-L196 PolarHBondContact O-N 3.4Å; L196-S198 PolarHBondContact O-N 2.95Å
197A94.9Very high89.3Confident14 Ų1460.3 Ų60.312%0.11630%0.296CS..  trans-56131.2-171.800000113.3A44 L45 Y194 K199 L205A44-A197 CarbonylContact O-C 3.37Å; A44-A197 VanDerWaalsContact O-CA 3.28Å; A44-A197 WeakPolarHBondContact O-CA 3.15Å; L45-A197 HydrophobicContact CD2-CB 4.45Å; L45-A197 WeakPolarHBondContact O-CA 3.49Å; L45-A197 PolarHBondContact O-N 3.43Å; Y194-A197 VanDerWaalsContact O-CB 3.29Å; Y194-A197 WeakPolarHBondContact O-CB 3.42Å; Y194-A197 PolarHBondContact O-N 3.21Å; A197-K199 PolarHBondContact O-N 2.98Å; A197-L205 HydrophobicContact CB-CD2 4.31Å
198S95.4Very high90.1Very high4 Ų459.7 Ų59.73%0.02829%0.293CS..  trans-77.8112.7177.7-76.40000110.4A44 G47 G48 L196 L205 L206A44-S198 PolarHBondContact O-N 3.1Å; G47-S198 WeakPolarHBondContact CA-OG 3.46Å; G47-S198 PolarHBondContact O-OG 3.33Å; G48-S198 WeakPolarHBondContact O-CB 3.19Å; G48-S198 PolarHBondContact O-OG 2.97Å; L196-S198 PolarHBondContact O-N 2.95Å; S198-L205 WeakPolarHBondContact O-CA 3.47Å; S198-L206 PolarHBondContact O-N 3.4Å
199K93.7Very high91Very high44 Ų4457.3 Ų57.319%0.19128%0.28CS..BIsolated β-bridgetrans-131.1150.4-174.3-60.8179.5-168.6-175.40112.5E72 N191 A197 Q204 L205E72-K199 IonicContact OE1-NZ 3.57Å; E72-K199 PolarHBondContact OE1-NZ 3.46Å; E72-K199 WeakPolarHBondContact OE2-CE 3.11Å; E72-K199 IonicContact OE2-NZ 2.86Å; E72-K199 PolarHBondContact OE2-NZ 3.11Å; E72-K199 VanDerWaalsContact OE2-NZ 3.1Å; N191-K199 PolarHBondContact OD1-NZ 2.97Å; A197-K199 PolarHBondContact O-N 2.98Å; K199-Q204 CarbonylContact C-O 3.44Å; K199-Q204 WeakPolarHBondContact CA-O 3.39Å; K199-Q204 WeakPolarHBondContact CB-O 3.31Å; K199-L205 HydrophobicContact CG-CD2 4.23Å
200D92.2Very high91.7Very high20 Ų2052.3 Ų52.311%0.10726%0.259CS..  trans-77.4179.9169.570.815.2000112K69 R202 K203 Q204 L206K69-D200 IonicContact NZ-OD2 2.73Å; K69-D200 PolarHBondContact NZ-OD2 3.34Å; D200-R202 PolarHBondContact O-N 3.35Å; D200-R202 VanDerWaalsContact OD1-C 3.26Å; D200-R202 VanDerWaalsContact OD1-CA 3.27Å; D200-R202 WeakPolarHBondContact OD1-CA 3.49Å; D200-R202 WeakPolarHBondContact OD1-CB 3.36Å; D200-R202 PolarHBondContact OD1-N 3.1Å; D200-R202 IonicContact OD2-NE 3.1Å; D200-R202 IonicContact OD2-NH2 2.64Å; D200-K203 PolarHBondContact O-N 3.35Å; D200-K203 PolarHBondContact OD1-N 3.11Å; D200-Q204 PolarHBondContact N-O 2.88Å; D200-Q204 PolarHBondContact OD1-N 3.4Å; D200-Q204 PolarHBondContact OD2-OE1 3.16Å; D200-L206 HydrophobicContact CB-CD2 3.89Å
201S87.1Confident92.3Very high120 Ų12050.3 Ų50.384%0.83925%0.25SS*.THydrogen-bonded Turntrans-61.3-25.4177.553.60000113.4K203S201-K203 VanDerWaalsContact C-N 3.28Å
202R84.4Confident93Very high146 Ų14647.5 Ų47.555%0.55124%0.236SC*.THydrogen-bonded Turntrans-87.86.6176.9-59.1179.8-64.8-167.8-3.2112.8D200 Q204D200-R202 PolarHBondContact O-N 3.35Å; D200-R202 VanDerWaalsContact OD1-C 3.26Å; D200-R202 VanDerWaalsContact OD1-CA 3.27Å; D200-R202 WeakPolarHBondContact OD1-CA 3.49Å; D200-R202 WeakPolarHBondContact OD1-CB 3.36Å; D200-R202 PolarHBondContact OD1-N 3.1Å; D200-R202 IonicContact OD2-NE 3.1Å; D200-R202 IonicContact OD2-NH2 2.64Å; R202-Q204 HydrophobicContact CB-CG 4.34Å; R202-Q204 PolarHBondContact O-N 2.67Å
203K85.8Confident93.6Very high108 Ų10839.5 Ų39.547%0.4721%0.207SC..SBendtrans64.919.4-177.2-51.4-59.3-177-176.20114L155 D200 S201L155-K203 HydrophobicContact CD2-CG 4.39Å; D200-K203 PolarHBondContact O-N 3.35Å; D200-K203 PolarHBondContact OD1-N 3.11Å; S201-K203 VanDerWaalsContact C-N 3.28Å
204Q90.9Very high93.9Very high29 Ų2937.2 Ų37.214%0.13619%0.192CC..PPolyproline II helixtrans-85.1148.6170.5-58.2178.9-41.700109.7K69 E72 Q73 K199 D200 R202K69-Q204 PolarHBondContact O-NE2 3.33Å; E72-Q204 WeakPolarHBondContact O-CA 3.1Å; Q73-Q204 HydrophobicContact CG-CG 4.26Å; K199-Q204 CarbonylContact C-O 3.44Å; K199-Q204 WeakPolarHBondContact CA-O 3.39Å; K199-Q204 WeakPolarHBondContact CB-O 3.31Å; D200-Q204 PolarHBondContact N-O 2.88Å; D200-Q204 PolarHBondContact OD1-N 3.4Å; D200-Q204 PolarHBondContact OD2-OE1 3.16Å; R202-Q204 HydrophobicContact CB-CG 4.34Å; R202-Q204 PolarHBondContact O-N 2.67Å
205L95.4Very high94Very high0 Ų041.2 Ų41.20%021%0.212CC..BIsolated β-bridgetrans-57.8142.1174.8-66.7178.7000110.9I41 A44 L45 V68 K69 F71 E72 A197 S198 K199I41-L205 HydrophobicContact CG1-CD1 4.48Å; I41-L205 HydrophobicContact CG2-CD1 4.1Å; A44-L205 HydrophobicContact CB-CB 3.94Å; A44-L205 HydrophobicContact CB-CD1 4.31Å; A44-L205 HydrophobicContact CB-CD2 4.07Å; A44-L205 HydrophobicContact CB-CG 4.33Å; L45-L205 HydrophobicContact CD2-CD1 4.2Å; L45-L205 HydrophobicContact CD2-CD2 4.01Å; L45-L205 HydrophobicContact CG-CD1 4.12Å; L45-L205 HydrophobicContact CG-CD2 4.4Å; V68-L205 HydrophobicContact CG1-CB 4.22Å; K69-L205 VanDerWaalsContact CD-O 3.3Å; K69-L205 WeakPolarHBondContact CD-O 3.44Å; K69-L205 WeakPolarHBondContact CE-O 3.48Å; K69-L205 PolarHBondContact NZ-O 3.24Å; F71-L205 HydrophobicContact CB-CD1 4.35Å; F71-L205 HydrophobicContact CD1-CD1 3.76Å; F71-L205 HydrophobicContact CG-CD1 4.41Å; E72-L205 HydrophobicContact CB-CG 4.22Å; A197-L205 HydrophobicContact CB-CD2 4.31Å; S198-L205 WeakPolarHBondContact O-CA 3.47Å; K199-L205 HydrophobicContact CG-CD2 4.23Å
206L98.1Very high94.1Very high10 Ų1040.3 Ų40.35%0.05220%0.202CC..PPolyproline II helixtrans-70.1137.5172.7-67.9-177.2000110.6I20 L22 I49 S198 D200 D230I20-L206 HydrophobicContact CG2-CD1 3.73Å; L22-L206 HydrophobicContact CD2-CD1 3.98Å; I49-L206 HydrophobicContact CD1-CB 3.95Å; I49-L206 HydrophobicContact CG1-CB 4.27Å; S198-L206 PolarHBondContact O-N 3.4Å; D200-L206 HydrophobicContact CB-CD2 3.89Å; L206-D230 WeakPolarHBondContact CA-OD2 3.41Å; L206-D230 HydrophobicContact CD2-CB 4.02Å
207C98.4Very high94.2Very high0 Ų036.9 Ų36.90%018%0.184CC..  trans-138.3132179-169.10000110.7V68 K69 D230V68-C207 HydrophobicContact CB-CB 4.05Å; V68-C207 HydrophobicContact CG1-CB 3.73Å; K69-C207 HydrophobicContact CD-CB 3.94Å; C207-D230 PolarHBondContact N-OD2 3.47Å; C207-D230 PolarHBondContact O-N 2.84Å
208G98.8Very high94.4Very high0 Ų038.4 Ų38.40%019%0.188CC..EExtended strand (participates in β ladder)trans-108.9160170.700000112.1G50 I51 I52 V231G50-G208 PolarHBondContact O-N 3.15Å; I51-G208 CarbonylContact C-O 3.52Å; I51-G208 WeakPolarHBondContact CA-O 3.25Å; I52-G208 PolarHBondContact N-O 3.29Å; G208-V231 WeakPolarHBondContact CA-O 2.92Å
209A98.8Very high94.5Very high0 Ų044.2 Ų44.20%021%0.21CC..EExtended strand (participates in β ladder)trans-138.6143.2173.200000110.9V65 L224 V229 V231 V232 V233V65-A209 HydrophobicContact CG2-CB 4.19Å; A209-L224 HydrophobicContact CB-CD1 3.81Å; A209-L224 HydrophobicContact CB-CD2 3.83Å; A209-L224 HydrophobicContact CB-CG 4.42Å; A209-V229 HydrophobicContact CB-CG2 3.9Å; A209-V231 PolarHBondContact N-O 3.08Å; A209-V231 VanDerWaalsContact N-O 3.09Å; A209-V232 CarbonylContact O-C 3.59Å; A209-V232 VanDerWaalsContact O-CA 3.29Å; A209-V232 WeakPolarHBondContact O-CA 3.33Å; A209-V233 PolarHBondContact O-N 2.82Å
210A98.6Very high94.7Very high0 Ų043.2 Ų43.20%021%0.205CC..EExtended strand (participates in β ladder)trans-83.5149169.900000110.4P30 I51 I52 H54 Q61 V233 D235P30-A210 HydrophobicContact CB-CB 3.51Å; P30-A210 HydrophobicContact CG-CB 4.06Å; I51-A210 HydrophobicContact CG2-CB 4.23Å; I52-A210 PolarHBondContact O-N 3.47Å; H54-A210 WeakPolarHBondContact CB-O 3.33Å; Q61-A210 PolarHBondContact NE2-O 2.9Å; A210-V233 CarbonylContact C-O 3.54Å; A210-V233 VanDerWaalsContact CA-O 3.27Å; A210-V233 WeakPolarHBondContact CA-O 3.35Å; A210-D235 HydrophobicContact CB-CB 4.14Å
211I98.1Very high95Very high0 Ų042.3 Ų42.30%020%0.2CC..EExtended strand (participates in β ladder)trans-138.8158.9166.763.6175.5000108.9R220 L221 L224 V233 L234 D235 I251I211-R220 HydrophobicContact CG2-CG 4.06Å; I211-L221 HydrophobicContact CD1-CB 4.37Å; I211-L221 HydrophobicContact CD1-CD1 4.26Å; I211-L224 HydrophobicContact CG2-CD1 3.48Å; I211-L224 VanDerWaalsContact CG2-CD1 3.48Å; I211-V233 PolarHBondContact N-O 3.28Å; I211-L234 HydrophobicContact CD1-CD2 3.59Å; I211-L234 HydrophobicContact CG1-CD2 3.44Å; I211-L234 VanDerWaalsContact CG1-CD2 3.44Å; I211-D235 PolarHBondContact O-N 3.12Å; I211-I251 HydrophobicContact CD1-CD1 4.18Å
212G96.6Very high95.6Very high4 Ų438.3 Ų38.34%0.04117%0.17CC..  trans-77.6-160.6171.500000112.3D217G212-D217 VanDerWaalsContact CA-CG 3.48Å; G212-D217 WeakPolarHBondContact CA-OD2 3.47Å; G212-D217 PolarHBondContact N-OD1 3.01Å; G212-D217 VanDerWaalsContact N-OD1 3.14Å
213T96.3Very high96.2Very high11 Ų1132.6 Ų32.67%0.06715%0.15CC..SBendtrans-122.915.9-178.366.20000112.5D217 Q244T213-D217 PolarHBondContact N-OD2 3.2Å; T213-D217 VanDerWaalsContact N-OD2 3.14Å; T213-Q244 HydrophobicContact CG2-CB 3.9Å; T213-Q244 HydrophobicContact CG2-CG 3.95Å
214R93.2Very high96.8Very high39 Ų3927.5 Ų27.515%0.14713%0.127CC..SBendtrans-96.6166.1-176.5-60.8-54.9-179.9-157.1-7.1111.1D216 D217 M247 K388 E393R214-D216 VanDerWaalsContact C-N 3.26Å; R214-D216 WeakPolarHBondContact CB-OD1 3.48Å; R214-D216 PolarHBondContact O-N 3.48Å; R214-D217 PolarHBondContact N-OD2 2.99Å; R214-D217 WeakPolarHBondContact O-CB 3.33Å; R214-D217 PolarHBondContact O-N 3Å; R214-D217 VanDerWaalsContact O-N 3.09Å; R214-M247 WeakPolarHBondContact O-CE 3.2Å; R214-K388 HydrophobicContact CG-CD 4.02Å; R214-E393 IonicContact CZ-OE1 3.61Å; R214-E393 IonicContact NE-OE1 3.15Å; R214-E393 PolarHBondContact NE-OE1 3.29Å; R214-E393 VanDerWaalsContact NE-OE1 3.15Å; R214-E393 IonicContact NH2-OE1 2.72Å
215E92.7Very high97.2Very high136 Ų13628.8 Ų28.864%0.63613%0.134SC*.THydrogen-bonded Turntrans-60.7-35.9-178.5-74.8-63.8132.400112.5D217 K218E215-D217 PolarHBondContact O-N 3.08Å; E215-K218 VanDerWaalsContact O-CB 3.3Å; E215-K218 WeakPolarHBondContact O-CB 3.15Å; E215-K218 WeakPolarHBondContact O-CG 3.35Å; E215-K218 PolarHBondContact O-N 3.11Å; E215-K218 VanDerWaalsContact O-N 3.12Å; E215-K218 WeakPolarHBondContact OE1-CE 3.48Å; E215-K218 IonicContact OE1-NZ 3.96Å; E215-K218 PolarHBondContact OE1-NZ 2.72Å; E215-K218 WeakPolarHBondContact OE2-CD 3.42Å; E215-K218 VanDerWaalsContact OE2-CE 3.28Å; E215-K218 WeakPolarHBondContact OE2-CE 3.47Å; E215-K218 IonicContact OE2-NZ 2.62Å; E215-K218 PolarHBondContact OE2-NZ 2.96Å
216D92.7Very high97.2Very high86 Ų8635.7 Ų35.746%0.4617%0.167SC..THydrogen-bonded Turntrans-68.1-22.517763.1-56.4000113.4R214 K218 Y219 K388R214-D216 VanDerWaalsContact C-N 3.26Å; R214-D216 WeakPolarHBondContact CB-OD1 3.48Å; R214-D216 PolarHBondContact O-N 3.48Å; D216-K218 PolarHBondContact O-N 3.42Å; D216-Y219 PolarHBondContact O-N 2.99Å; D216-K388 IonicContact OD1-NZ 3.51Å; D216-K388 PolarHBondContact OD1-NZ 3.38Å; D216-K388 IonicContact OD2-NZ 2.89Å; D216-K388 PolarHBondContact OD2-NZ 3.23Å
217D96.9Very high97.1Very high4 Ų435.7 Ų35.72%0.02117%0.168CC..Hα-helixtrans-68.1-15.9173.6-66.9-65.3000112.5G212 T213 R214 E215 R220 L221 M247G212-D217 VanDerWaalsContact CA-CG 3.48Å; G212-D217 WeakPolarHBondContact CA-OD2 3.47Å; G212-D217 PolarHBondContact N-OD1 3.01Å; G212-D217 VanDerWaalsContact N-OD1 3.14Å; T213-D217 PolarHBondContact N-OD2 3.2Å; T213-D217 VanDerWaalsContact N-OD2 3.14Å; R214-D217 PolarHBondContact N-OD2 2.99Å; R214-D217 WeakPolarHBondContact O-CB 3.33Å; R214-D217 PolarHBondContact O-N 3Å; R214-D217 VanDerWaalsContact O-N 3.09Å; E215-D217 PolarHBondContact O-N 3.08Å; D217-R220 WeakPolarHBondContact O-CB 3.16Å; D217-R220 PolarHBondContact O-N 3.24Å; D217-R220 IonicContact OD1-NE 3.29Å; D217-L221 WeakPolarHBondContact O-CB 3.3Å; D217-L221 PolarHBondContact O-N 2.58Å; D217-M247 HydrophobicContact CB-CE 4.22Å
218K98Very high97Very high46 Ų4636.5 Ų36.520%0.218%0.176CC..Hα-helixtrans-66.3-39.2174-63.4-179.7177.61680111.9E215 D216 L221 D222 M247 Y250E215-K218 VanDerWaalsContact O-CB 3.3Å; E215-K218 WeakPolarHBondContact O-CB 3.15Å; E215-K218 WeakPolarHBondContact O-CG 3.35Å; E215-K218 PolarHBondContact O-N 3.11Å; E215-K218 VanDerWaalsContact O-N 3.12Å; E215-K218 WeakPolarHBondContact OE1-CE 3.48Å; E215-K218 IonicContact OE1-NZ 3.96Å; E215-K218 PolarHBondContact OE1-NZ 2.72Å; E215-K218 WeakPolarHBondContact OE2-CD 3.42Å; E215-K218 VanDerWaalsContact OE2-CE 3.28Å; E215-K218 WeakPolarHBondContact OE2-CE 3.47Å; E215-K218 IonicContact OE2-NZ 2.62Å; E215-K218 PolarHBondContact OE2-NZ 2.96Å; D216-K218 PolarHBondContact O-N 3.42Å; K218-L221 WeakPolarHBondContact O-CB 3.43Å; K218-L221 PolarHBondContact O-N 3.37Å; K218-D222 PolarHBondContact O-N 3.47Å; K218-D222 VanDerWaalsContact O-N 3.16Å; K218-M247 HydrophobicContact CG-CE 3.94Å; K218-M247 HydrophobicContact CG-SD 4.28Å; K218-Y250 HydrophobicContact CB-CE1 3.97Å; K218-Y250 HydrophobicContact CD-CD1 4.18Å; K218-Y250 HydrophobicContact CD-CD2 4.4Å; K218-Y250 HydrophobicContact CD-CE1 3.8Å; K218-Y250 HydrophobicContact CD-CE2 4.03Å; K218-Y250 HydrophobicContact CD-CG 4.46Å; K218-Y250 HydrophobicContact CG-CD1 4.05Å; K218-Y250 HydrophobicContact CG-CE1 3.59Å
219Y97.9Very high97Very high126 Ų12637 Ų3749%0.49418%0.179SC..Hα-helixtrans-66.8-41.7174.5169.3-107.4000111.2A58 E59 D216 L221 D222 L223A58-Y219 HydrophobicContact CB-CD1 4.19Å; A58-Y219 HydrophobicContact CB-CE1 4.06Å; E59-Y219 VanDerWaalsContact OE1-CE1 3.3Å; E59-Y219 WeakPolarHBondContact OE1-CE1 3.35Å; E59-Y219 PolarHBondContact OE1-OH 3.28Å; D216-Y219 PolarHBondContact O-N 2.99Å; Y219-L221 VanDerWaalsContact C-N 3.34Å; Y219-L221 PolarHBondContact O-N 2.79Å; Y219-D222 PolarHBondContact O-N 3.2Å; Y219-L223 HydrophobicContact CD1-CD1 4.5Å; Y219-L223 HydrophobicContact CE1-CD1 3.75Å; Y219-L223 HydrophobicContact CE1-CG 4.42Å; Y219-L223 HydrophobicContact CE2-CD1 4.32Å; Y219-L223 HydrophobicContact CE2-CD2 4.43Å; Y219-L223 HydrophobicContact CE2-CG 4.25Å; Y219-L223 PolarHBondContact O-N 3.39Å
220R98.2Very high97Very high23 Ų2338.2 Ų38.29%0.08719%0.186CC..Hα-helixtrans-57.7-46.2173.4176.3-176.4-66.8-79.1-3.5111.8C56 T57 A58 I211 D217 D222 L223 L224C56-R220 PolarHBondContact O-NH2 3.36Å; T57-R220 PolarHBondContact O-NH1 3.07Å; T57-R220 VanDerWaalsContact O-NH1 3.13Å; A58-R220 HydrophobicContact CB-CB 3.91Å; A58-R220 HydrophobicContact CB-CG 4.15Å; I211-R220 HydrophobicContact CG2-CG 4.06Å; D217-R220 WeakPolarHBondContact O-CB 3.16Å; D217-R220 PolarHBondContact O-N 3.24Å; D217-R220 IonicContact OD1-NE 3.29Å; R220-D222 VanDerWaalsContact C-N 3.31Å; R220-D222 PolarHBondContact O-N 3.44Å; R220-L223 PolarHBondContact O-N 2.85Å; R220-L224 HydrophobicContact CG-CD1 3.98Å; R220-L224 HydrophobicContact CG-CG 4.42Å; R220-L224 VanDerWaalsContact O-CG 3.28Å; R220-L224 WeakPolarHBondContact O-CG 3.35Å; R220-L224 PolarHBondContact O-N 3.13Å
221L98.5Very high97Very high0 Ų038.2 Ų38.20%019%0.186CC..Hα-helixtrans-55.8-45.4176.217469.4000111.8I211 D217 K218 Y219 L223 L224 M225 V232 Y250 I251 Y255 L258I211-L221 HydrophobicContact CD1-CB 4.37Å; I211-L221 HydrophobicContact CD1-CD1 4.26Å; D217-L221 WeakPolarHBondContact O-CB 3.3Å; D217-L221 PolarHBondContact O-N 2.58Å; K218-L221 WeakPolarHBondContact O-CB 3.43Å; K218-L221 PolarHBondContact O-N 3.37Å; Y219-L221 VanDerWaalsContact C-N 3.34Å; Y219-L221 PolarHBondContact O-N 2.79Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 2.94Å; L221-L224 PolarHBondContact O-N 3.23Å; L221-M225 HydrophobicContact CD1-CG 4.36Å; L221-M225 WeakPolarHBondContact O-CG 3.46Å; L221-M225 PolarHBondContact O-N 3.4Å; L221-V232 HydrophobicContact CD1-CG1 4.06Å; L221-Y250 HydrophobicContact CD2-CD1 4.47Å; L221-Y250 HydrophobicContact CD2-CE1 4.1Å; L221-I251 HydrophobicContact CD2-CD1 4.45Å; L221-I251 HydrophobicContact CD2-CG1 3.62Å; L221-Y255 HydrophobicContact CD2-CD2 4.01Å; L221-Y255 HydrophobicContact CD2-CE2 4Å; L221-Y255 HydrophobicContact CG-CD2 4.29Å; L221-Y255 HydrophobicContact CG-CE2 4.09Å; L221-L258 HydrophobicContact CD1-CD2 3.81Å
222D98.4Very high97Very high37 Ų3738.2 Ų38.220%0.19819%0.186CC..Hα-helixtrans-61-42.8-179.2-68-4.6000111.5K218 Y219 R220 M225 Q226 K254 Y255K218-D222 PolarHBondContact O-N 3.47Å; K218-D222 VanDerWaalsContact O-N 3.16Å; Y219-D222 PolarHBondContact O-N 3.2Å; R220-D222 VanDerWaalsContact C-N 3.31Å; R220-D222 PolarHBondContact O-N 3.44Å; D222-M225 PolarHBondContact O-N 3.34Å; D222-Q226 VanDerWaalsContact O-CG 3.32Å; D222-Q226 WeakPolarHBondContact O-CG 3.2Å; D222-Q226 PolarHBondContact O-N 2.87Å; D222-K254 WeakPolarHBondContact OD1-CE 3.44Å; D222-K254 IonicContact OD1-NZ 2.83Å; D222-K254 PolarHBondContact OD1-NZ 2.84Å; D222-K254 IonicContact OD2-NZ 2.78Å; D222-K254 PolarHBondContact OD2-NZ 3.01Å; D222-Y255 PolarHBondContact OD1-OH 3.38Å
223L98.5Very high97.1Very high26 Ų2638 Ų3814%0.13618%0.184CC..Hα-helixtrans-65.8-38.3175.3-67.3-175.2000112.8A58 E59 A62 Y219 R220 L221 Q226 A227A58-L223 HydrophobicContact CB-CD1 3.83Å; E59-L223 HydrophobicContact CG-CD1 4.16Å; A62-L223 HydrophobicContact CB-CB 3.91Å; Y219-L223 HydrophobicContact CD1-CD1 4.5Å; Y219-L223 HydrophobicContact CE1-CD1 3.75Å; Y219-L223 HydrophobicContact CE1-CG 4.42Å; Y219-L223 HydrophobicContact CE2-CD1 4.32Å; Y219-L223 HydrophobicContact CE2-CD2 4.43Å; Y219-L223 HydrophobicContact CE2-CG 4.25Å; Y219-L223 PolarHBondContact O-N 3.39Å; R220-L223 PolarHBondContact O-N 2.85Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 2.94Å; L223-Q226 PolarHBondContact O-N 3.49Å; L223-A227 WeakPolarHBondContact O-CB 3.34Å; L223-A227 PolarHBondContact O-N 3.06Å
224L98.6Very high97.3Very high0 Ų037.5 Ų37.50%018%0.181CC..Hα-helixtrans-66.3-38.9176.5-68170.3000111.7Q61 V65 A209 I211 R220 L221 A227 G228 V229Q61-L224 HydrophobicContact CB-CD2 4.37Å; Q61-L224 HydrophobicContact CG-CD2 3.95Å; V65-L224 HydrophobicContact CG2-CD2 3.74Å; A209-L224 HydrophobicContact CB-CD1 3.81Å; A209-L224 HydrophobicContact CB-CD2 3.83Å; A209-L224 HydrophobicContact CB-CG 4.42Å; I211-L224 HydrophobicContact CG2-CD1 3.48Å; I211-L224 VanDerWaalsContact CG2-CD1 3.48Å; R220-L224 HydrophobicContact CG-CD1 3.98Å; R220-L224 HydrophobicContact CG-CG 4.42Å; R220-L224 VanDerWaalsContact O-CG 3.28Å; R220-L224 WeakPolarHBondContact O-CG 3.35Å; R220-L224 PolarHBondContact O-N 3.13Å; L221-L224 PolarHBondContact O-N 3.23Å; L224-A227 PolarHBondContact O-N 3.18Å; L224-G228 PolarHBondContact O-N 3.31Å; L224-G228 VanDerWaalsContact O-N 3.11Å; L224-V229 HydrophobicContact CB-CB 4.28Å; L224-V229 HydrophobicContact CB-CG1 3.92Å; L224-V229 WeakPolarHBondContact O-CG1 3.41Å; L224-V229 PolarHBondContact O-N 2.95Å; L224-V229 VanDerWaalsContact O-N 3.08Å
225M98.1Very high97.4Very high56 Ų5635.7 Ų35.728%0.27617%0.174SC..Hα-helixtrans-62.8-44.5173.7-76.5-56.8-63.200111.6L221 D222 A227 G228 V229 Y255 L258L221-M225 HydrophobicContact CD1-CG 4.36Å; L221-M225 WeakPolarHBondContact O-CG 3.46Å; L221-M225 PolarHBondContact O-N 3.4Å; D222-M225 PolarHBondContact O-N 3.34Å; M225-A227 VanDerWaalsContact C-N 3.26Å; M225-A227 PolarHBondContact O-N 2.95Å; M225-G228 PolarHBondContact O-N 3.28Å; M225-V229 HydrophobicContact SD-CG1 4.05Å; M225-Y255 HydrophobicContact CB-CE1 4.31Å; M225-Y255 HydrophobicContact CE-CD1 3.82Å; M225-Y255 HydrophobicContact CE-CE1 4.32Å; M225-Y255 HydrophobicContact CE-CG 4.08Å; M225-Y255 HydrophobicContact CG-CD1 4.19Å; M225-Y255 HydrophobicContact CG-CD2 3.9Å; M225-Y255 HydrophobicContact CG-CE1 4.08Å; M225-Y255 HydrophobicContact CG-CE2 3.78Å; M225-Y255 HydrophobicContact CG-CG 4.09Å; M225-Y255 HydrophobicContact SD-CG 4.38Å; M225-L258 HydrophobicContact CG-CD2 4.43Å; M225-L258 HydrophobicContact SD-CB 4.27Å; M225-L258 HydrophobicContact SD-CD1 3.7Å; M225-L258 HydrophobicContact SD-CD2 3.56Å; M225-L258 VanDerWaalsContact SD-CD2 3.56Å; M225-L258 HydrophobicContact SD-CG 4.03Å
226Q96.6Very high97.4Very high146 Ų14629.3 Ų29.368%0.68214%0.144SC*.Hα-helixtrans-62.2-33.8174-69.4171.722.100112.4D222 L223 G228D222-Q226 VanDerWaalsContact O-CG 3.32Å; D222-Q226 WeakPolarHBondContact O-CG 3.2Å; D222-Q226 PolarHBondContact O-N 2.87Å; L223-Q226 PolarHBondContact O-N 3.49Å; Q226-G228 PolarHBondContact O-N 2.89Å
227A96.1Very high97.3Very high9 Ų926 Ų267%0.07413%0.128CC..Hα-helixtrans-73.6-12.5174.700000113.6A62 V65 R66 L223 L224 M225A62-A227 HydrophobicContact CB-CB 4.23Å; A62-A227 WeakPolarHBondContact O-CB 3.41Å; V65-A227 HydrophobicContact CB-CB 4.07Å; V65-A227 HydrophobicContact CG1-CB 3.88Å; R66-A227 HydrophobicContact CB-CB 4.47Å; L223-A227 WeakPolarHBondContact O-CB 3.34Å; L223-A227 PolarHBondContact O-N 3.06Å; L224-A227 PolarHBondContact O-N 3.18Å; M225-A227 VanDerWaalsContact C-N 3.26Å; M225-A227 PolarHBondContact O-N 2.95Å
228G96.1Very high97.2Very high18 Ų1828 Ų2819%0.18614%0.137CC..THydrogen-bonded Turntrans84.337.3177.900000114.3K69 L224 M225 Q226K69-G228 WeakPolarHBondContact CD-O 3.35Å; K69-G228 VanDerWaalsContact CE-O 3.31Å; K69-G228 WeakPolarHBondContact CE-O 3.19Å; L224-G228 PolarHBondContact O-N 3.31Å; L224-G228 VanDerWaalsContact O-N 3.11Å; M225-G228 PolarHBondContact O-N 3.28Å; Q226-G228 PolarHBondContact O-N 2.89Å
229V98.4Very high97.1Very high9 Ų925.9 Ų25.96%0.05513%0.128CC..  trans-59.4139.317273.40000111V65 A209 L224 M225 V231 V232 L258V65-V229 HydrophobicContact CG1-CB 4.13Å; A209-V229 HydrophobicContact CB-CG2 3.9Å; L224-V229 HydrophobicContact CB-CB 4.28Å; L224-V229 HydrophobicContact CB-CG1 3.92Å; L224-V229 WeakPolarHBondContact O-CG1 3.41Å; L224-V229 PolarHBondContact O-N 2.95Å; L224-V229 VanDerWaalsContact O-N 3.08Å; M225-V229 HydrophobicContact SD-CG1 4.05Å; V229-V231 WeakPolarHBondContact CG2-O 3.36Å; V229-V232 HydrophobicContact CG1-CG1 4.02Å; V229-V232 HydrophobicContact CG2-CG1 4.4Å; V229-L258 HydrophobicContact CG1-CD1 4.25Å
230D98.5Very high97.1Very high26 Ų2622.2 Ų22.214%0.13912%0.117CC..SBendtrans-91.6-29.7-178.5-55.7-79.5000112.3I20 K69 L206 C207I20-D230 HydrophobicContact CD1-CB 4.32Å; I20-D230 WeakPolarHBondContact CD1-O 3.42Å; K69-D230 VanDerWaalsContact NZ-CG 3.25Å; K69-D230 IonicContact NZ-OD1 3.09Å; K69-D230 PolarHBondContact NZ-OD1 3.26Å; K69-D230 IonicContact NZ-OD2 3.04Å; K69-D230 PolarHBondContact NZ-OD2 3.46Å; L206-D230 WeakPolarHBondContact CA-OD2 3.41Å; L206-D230 HydrophobicContact CD2-CB 4.02Å; C207-D230 PolarHBondContact N-OD2 3.47Å; C207-D230 PolarHBondContact O-N 2.84Å
231V98.8Very high97.1Very high0 Ų022 Ų220%012%0.119CC..EExtended strand (participates in β ladder)trans-150.7140-177.3630000111.4L16 T17 I20 I49 G208 A209 V229 Q259 I261L16-V231 HydrophobicContact CD2-CG1 4.14Å; T17-V231 HydrophobicContact CG2-CG2 3.93Å; I20-V231 HydrophobicContact CD1-CB 4.02Å; I49-V231 HydrophobicContact CD1-CG1 3.81Å; G208-V231 WeakPolarHBondContact CA-O 2.92Å; A209-V231 PolarHBondContact N-O 3.08Å; A209-V231 VanDerWaalsContact N-O 3.09Å; V229-V231 WeakPolarHBondContact CG2-O 3.36Å; V231-Q259 WeakPolarHBondContact CA-O 3.41Å; V231-Q259 HydrophobicContact CB-CB 4.28Å; V231-Q259 HydrophobicContact CG2-CB 4.03Å; V231-Q259 WeakPolarHBondContact CG2-O 3.29Å; V231-I261 HydrophobicContact CG2-CD1 3.5Å; V231-I261 VanDerWaalsContact CG2-CD1 3.5Å; V231-I261 HydrophobicContact CG2-CG1 3.62Å
232V98.8Very high97Very high0 Ų026.8 Ų26.80%015%0.148CC..EExtended strand (participates in β ladder)trans-112.5140174.5-65.50000111.6A209 L221 V229 I251 L258 Q259 V260 I261A209-V232 CarbonylContact O-C 3.59Å; A209-V232 VanDerWaalsContact O-CA 3.29Å; A209-V232 WeakPolarHBondContact O-CA 3.33Å; L221-V232 HydrophobicContact CD1-CG1 4.06Å; V229-V232 HydrophobicContact CG1-CG1 4.02Å; V229-V232 HydrophobicContact CG2-CG1 4.4Å; V232-I251 HydrophobicContact CG2-CD1 4.35Å; V232-L258 HydrophobicContact CG1-CD2 4.03Å; V232-L258 HydrophobicContact CG2-CD2 3.72Å; V232-L258 HydrophobicContact CG2-CG 4.21Å; V232-Q259 PolarHBondContact N-O 3.35Å; V232-V260 HydrophobicContact CG2-CG1 4.4Å; V232-V260 HydrophobicContact CG2-CG2 4.08Å; V232-I261 PolarHBondContact O-N 3.46Å
233V98.9Very high97Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-108118.1174.9-178.10000108.6I51 A209 A210 I211 D235 I261I51-V233 HydrophobicContact CD1-CG2 4.13Å; I51-V233 HydrophobicContact CG1-CG2 4.18Å; I51-V233 HydrophobicContact CG2-CB 4.17Å; I51-V233 HydrophobicContact CG2-CG2 3.7Å; A209-V233 PolarHBondContact O-N 2.82Å; A210-V233 CarbonylContact C-O 3.54Å; A210-V233 VanDerWaalsContact CA-O 3.27Å; A210-V233 WeakPolarHBondContact CA-O 3.35Å; I211-V233 PolarHBondContact N-O 3.28Å; V233-D235 PolarHBondContact O-N 3.5Å; V233-I261 WeakPolarHBondContact CA-O 3.2Å; V233-I261 HydrophobicContact CB-CB 4.48Å; V233-I261 HydrophobicContact CG1-CG2 4.41Å; V233-I261 HydrophobicContact CG2-CB 4.03Å; V233-I261 HydrophobicContact CG2-CD1 3.86Å; V233-I261 HydrophobicContact CG2-CG1 4.41Å; V233-I261 HydrophobicContact CG2-CG2 4.41Å
234L98.6Very high97Very high0 Ų029.8 Ų29.80%016%0.155CC..EExtended strand (participates in β ladder)trans-76.1106.2169.4-60.2-176.3000108.2I211 Q244 M247 I248 I251 V260 I261 G263I211-L234 HydrophobicContact CD1-CD2 3.59Å; I211-L234 HydrophobicContact CG1-CD2 3.44Å; I211-L234 VanDerWaalsContact CG1-CD2 3.44Å; L234-Q244 HydrophobicContact CB-CG 3.92Å; L234-Q244 HydrophobicContact CD1-CG 3.54Å; L234-Q244 HydrophobicContact CG-CG 4.37Å; L234-M247 HydrophobicContact CD1-CB 4.31Å; L234-M247 HydrophobicContact CD1-CG 4.18Å; L234-M247 HydrophobicContact CD2-CG 3.79Å; L234-I248 HydrophobicContact CD1-CD1 4.19Å; L234-I248 HydrophobicContact CD1-CG1 3.37Å; L234-I251 HydrophobicContact CD1-CD1 4.5Å; L234-I251 HydrophobicContact CD2-CD1 3.93Å; L234-V260 HydrophobicContact CD1-CG1 4.23Å; L234-V260 HydrophobicContact CG-CG1 4.25Å; L234-I261 PolarHBondContact N-O 3.09Å; L234-G263 VanDerWaalsContact O-O 3.08Å
235D96.6Very high97Very high2 Ų231.7 Ų31.71%0.01117%0.165CC..  trans-96.8101.9-171.6-167.634.1000110.9H54 A210 I211 V233 R283 R389H54-D235 IonicContact NE2-OD2 2.68Å; A210-D235 HydrophobicContact CB-CB 4.14Å; I211-D235 PolarHBondContact O-N 3.12Å; V233-D235 PolarHBondContact O-N 3.5Å; D235-R283 IonicContact OD1-CZ 3.09Å; D235-R283 IonicContact OD1-NH1 3.13Å; D235-R283 PolarHBondContact OD1-NH1 3.28Å; D235-R283 IonicContact OD1-NH2 3.86Å; D235-R389 IonicContact OD1-CZ 3.51Å; D235-R389 IonicContact OD1-NE 2.71Å; D235-R389 PolarHBondContact OD1-NE 2.62Å; D235-R389 IonicContact OD1-NH1 2.7Å; D235-R389 PolarHBondContact OD1-NH1 3.11Å; D235-R389 IonicContact OD1-NH2 3.23Å; D235-R389 PolarHBondContact OD1-NH2 2.87Å; D235-R389 WeakPolarHBondContact OD2-CD 3.35Å; D235-R389 IonicContact OD2-CZ 2.86Å; D235-R389 VanDerWaalsContact OD2-CZ 3.23Å; D235-R389 IonicContact OD2-NE 2.62Å; D235-R389 IonicContact OD2-NH1 3.37Å; D235-R389 PolarHBondContact OD2-NH1 3.27Å
236S93.4Very high97Very high2 Ų233.4 Ų33.41%0.01418%0.175CC..  trans-131.8148.4173.3-176.10000110.3Q238 N264S236-Q238 PolarHBondContact O-N 2.9Å; S236-Q238 PolarHBondContact OG-N 3.2Å; S236-Q238 PolarHBondContact OG-O 3.1Å; S236-N264 PolarHBondContact O-N 3.04Å; S236-N264 VanDerWaalsContact O-N 3.09Å
237S89.9Confident97.1Very high16 Ų1626.7 Ų26.711%0.11214%0.144CC..SBendtrans-60.6-35.9172.661.90000112M286 R389S237-M286 WeakPolarHBondContact O-CG 3.32Å; S237-R389 PolarHBondContact N-O 3.03Å; S237-R389 PolarHBondContact OG-O 2.78Å
238Q94.3Very high97.2Very high47 Ų4726.3 Ų26.322%0.2214%0.141CC..SBendtrans-137.9102.5177.7-162.6-65.5126.900108.7S236 N240 M286S236-Q238 PolarHBondContact O-N 2.9Å; S236-Q238 PolarHBondContact OG-N 3.2Å; S236-Q238 PolarHBondContact OG-O 3.1Å; Q238-N240 PolarHBondContact NE2-O 3.03Å; Q238-N240 PolarHBondContact O-N 3.18Å; Q238-N240 VanDerWaalsContact OE1-CB 3.23Å; Q238-M286 HydrophobicContact CB-CE 4.18Å; Q238-M286 HydrophobicContact CB-SD 4.26Å; Q238-M286 HydrophobicContact CG-CE 4.43Å; Q238-M286 HydrophobicContact CG-SD 4.22Å
239G96Very high97.3Very high0 Ų029 Ų290%015%0.151CC..  trans-78.8-16-166.900000116S241 Q244 G263 N264G239-S241 VanDerWaalsContact C-N 3.28Å; G239-S241 PolarHBondContact O-N 2.96Å; G239-Q244 WeakPolarHBondContact O-CB 3.33Å; G239-Q244 PolarHBondContact O-NE2 3.18Å; G239-G263 WeakPolarHBondContact CA-O 3.35Å; G239-N264 PolarHBondContact N-O 2.86Å
240N97.6Very high97.4Very high49 Ų4931.2 Ų31.226%0.26216%0.159SC..  trans-79.379.9177.6-174.240000110.1Q238 Q270 N273Q238-N240 PolarHBondContact NE2-O 3.03Å; Q238-N240 PolarHBondContact O-N 3.18Å; Q238-N240 VanDerWaalsContact OE1-CB 3.23Å; N240-Q270 HydrophobicContact CB-CB 3.9Å; N240-Q270 HydrophobicContact CB-CG 3.65Å; N240-N273 PolarHBondContact ND2-ND2 3.49Å; N240-N273 WeakPolarHBondContact OD1-CB 3.41Å; N240-N273 PolarHBondContact OD1-ND2 3.01Å
241S97.8Very high97.4Very high19 Ų1930 Ų3013%0.13315%0.152CC..SBendtrans-137.4153.1177.768.30000110.3G239 Y243 Q244 I245G239-S241 VanDerWaalsContact C-N 3.28Å; G239-S241 PolarHBondContact O-N 2.96Å; S241-Y243 PolarHBondContact O-N 2.54Å; S241-Q244 PolarHBondContact O-N 3.17Å; S241-Q244 PolarHBondContact OG-N 3.41Å; S241-I245 WeakPolarHBondContact O-CG1 3.39Å; S241-I245 PolarHBondContact O-N 3.1Å
242V97.7Very high97.3Very high100 Ų10032.4 Ų32.461%0.60616%0.163SC*.Hα-helixtrans-56-37.7173.3162.10000111.2Q244 I245 N246V242-Q244 PolarHBondContact O-N 3.19Å; V242-I245 PolarHBondContact O-N 3.01Å; V242-N246 WeakPolarHBondContact CG1-ND2 3.44Å; V242-N246 VanDerWaalsContact O-CB 3.3Å; V242-N246 WeakPolarHBondContact O-CB 3.39Å; V242-N246 PolarHBondContact O-N 3.34Å; V242-N246 PolarHBondContact O-ND2 2.89Å
243Y97.7Very high97.3Very high126 Ų12640.3 Ų40.349%0.49420%0.2SC..Hα-helixtrans-60.1-47.5178-58.8-71.5000112.3S241 M247 F391S241-Y243 PolarHBondContact O-N 2.54Å; Y243-M247 WeakPolarHBondContact O-CB 3.3Å; Y243-M247 PolarHBondContact O-N 3.03Å; Y243-F391 HydrophobicContact CD2-CE1 4.3Å
244Q98.3Very high97.3Very high0 Ų044.1 Ų44.10%022%0.216CC..Hα-helixtrans-69.1-42.7179.8-162.6169.3135.500111.7T213 L234 G239 S241 V242 N246 M247 I248 G263T213-Q244 HydrophobicContact CG2-CB 3.9Å; T213-Q244 HydrophobicContact CG2-CG 3.95Å; L234-Q244 HydrophobicContact CB-CG 3.92Å; L234-Q244 HydrophobicContact CD1-CG 3.54Å; L234-Q244 HydrophobicContact CG-CG 4.37Å; G239-Q244 WeakPolarHBondContact O-CB 3.33Å; G239-Q244 PolarHBondContact O-NE2 3.18Å; S241-Q244 PolarHBondContact O-N 3.17Å; S241-Q244 PolarHBondContact OG-N 3.41Å; V242-Q244 PolarHBondContact O-N 3.19Å; Q244-N246 VanDerWaalsContact C-N 3.33Å; Q244-N246 PolarHBondContact O-N 3.13Å; Q244-M247 PolarHBondContact O-N 2.77Å; Q244-I248 HydrophobicContact CG-CD1 4.19Å; Q244-I248 WeakPolarHBondContact O-CD1 3.48Å; Q244-I248 VanDerWaalsContact O-CG1 3.24Å; Q244-I248 WeakPolarHBondContact O-CG1 3.45Å; Q244-I248 PolarHBondContact O-N 2.96Å; Q244-G263 PolarHBondContact NE2-O 2.75Å; Q244-G263 PolarHBondContact OE1-O 2.96Å
245I98.6Very high97.3Very high41 Ų4146.7 Ų46.721%0.2123%0.226CC..Hα-helixtrans-58.1-47.1177.1-69.3168.2000110.6S241 V242 M247 I248 N249 N273 L274 A277S241-I245 WeakPolarHBondContact O-CG1 3.39Å; S241-I245 PolarHBondContact O-N 3.1Å; V242-I245 PolarHBondContact O-N 3.01Å; I245-M247 VanDerWaalsContact C-N 3.34Å; I245-M247 PolarHBondContact O-N 2.96Å; I245-I248 PolarHBondContact O-N 3.36Å; I245-N249 PolarHBondContact O-N 3.11Å; I245-N249 PolarHBondContact O-ND2 3.25Å; I245-N273 HydrophobicContact CD1-CB 4.39Å; I245-L274 HydrophobicContact CG1-CD2 4.14Å; I245-A277 HydrophobicContact CG2-CB 4.06Å
246N98.5Very high97.3Very high91 Ų9150.4 Ų50.449%0.48725%0.25SS..Hα-helixtrans-64.6-38.6178-69.6-9.1000112.1V242 Q244 N249 Y250V242-N246 WeakPolarHBondContact CG1-ND2 3.44Å; V242-N246 VanDerWaalsContact O-CB 3.3Å; V242-N246 WeakPolarHBondContact O-CB 3.39Å; V242-N246 PolarHBondContact O-N 3.34Å; V242-N246 PolarHBondContact O-ND2 2.89Å; Q244-N246 VanDerWaalsContact C-N 3.33Å; Q244-N246 PolarHBondContact O-N 3.13Å; N246-N249 PolarHBondContact O-N 3.17Å; N246-Y250 WeakPolarHBondContact O-CB 3.4Å; N246-Y250 PolarHBondContact O-N 2.82Å
247M98.7Very high97.5Very high6 Ų656 Ų563%0.0328%0.28CS..Hα-helixtrans-65-40.5175.6-175.160.376.300111.9R214 D217 K218 L234 Y243 Q244 I245 Y250 I251R214-M247 WeakPolarHBondContact O-CE 3.2Å; D217-M247 HydrophobicContact CB-CE 4.22Å; K218-M247 HydrophobicContact CG-CE 3.94Å; K218-M247 HydrophobicContact CG-SD 4.28Å; L234-M247 HydrophobicContact CD1-CB 4.31Å; L234-M247 HydrophobicContact CD1-CG 4.18Å; L234-M247 HydrophobicContact CD2-CG 3.79Å; Y243-M247 WeakPolarHBondContact O-CB 3.3Å; Y243-M247 PolarHBondContact O-N 3.03Å; Q244-M247 PolarHBondContact O-N 2.77Å; I245-M247 VanDerWaalsContact C-N 3.34Å; I245-M247 PolarHBondContact O-N 2.96Å; M247-Y250 PolarHBondContact O-N 3.36Å; M247-Y250 HydrophobicContact SD-CD1 4.06Å; M247-I251 HydrophobicContact CG-CD1 3.89Å; M247-I251 HydrophobicContact CG-CG1 4.44Å; M247-I251 WeakPolarHBondContact O-CD1 3.45Å; M247-I251 WeakPolarHBondContact O-CG1 3.47Å; M247-I251 PolarHBondContact O-N 3.32Å; M247-I251 HydrophobicContact SD-CD1 4.3Å; M247-I251 HydrophobicContact SD-CG1 4.32Å
248I98.8Very high97.9Very high0 Ų055.7 Ų55.70%028%0.277CS..Hα-helixtrans-59.2-51.9174.5-64157.2000109.5L234 Q244 I245 Y250 I251 K252 V260 L274 A277 V279L234-I248 HydrophobicContact CD1-CD1 4.19Å; L234-I248 HydrophobicContact CD1-CG1 3.37Å; Q244-I248 HydrophobicContact CG-CD1 4.19Å; Q244-I248 WeakPolarHBondContact O-CD1 3.48Å; Q244-I248 VanDerWaalsContact O-CG1 3.24Å; Q244-I248 WeakPolarHBondContact O-CG1 3.45Å; Q244-I248 PolarHBondContact O-N 2.96Å; I245-I248 PolarHBondContact O-N 3.36Å; I248-Y250 VanDerWaalsContact C-N 3.32Å; I248-Y250 PolarHBondContact O-N 3.22Å; I248-I251 PolarHBondContact O-N 3.07Å; I248-I251 VanDerWaalsContact O-N 3.16Å; I248-K252 HydrophobicContact CG2-CG 4.23Å; I248-K252 WeakPolarHBondContact O-CG 3.4Å; I248-K252 PolarHBondContact O-N 3.29Å; I248-V260 HydrophobicContact CG1-CG1 4.47Å; I248-L274 HydrophobicContact CD1-CD2 3.87Å; I248-A277 HydrophobicContact CB-CB 4.27Å; I248-A277 HydrophobicContact CD1-CB 4.11Å; I248-A277 HydrophobicContact CG2-CB 4.1Å; I248-A277 WeakPolarHBondContact CG2-O 3.39Å; I248-V279 HydrophobicContact CD1-CG1 3.41Å; I248-V279 VanDerWaalsContact CD1-CG1 3.41Å; I248-V279 HydrophobicContact CG1-CG1 3.9Å; I248-V279 HydrophobicContact CG2-CG1 4.08Å
249N98.6Very high98.1Very high75 Ų7553.7 Ų53.740%0.40127%0.268SS..Hα-helixtrans-57-45.3179.3-69-25.7000111.8I245 N246 K252 Q253 A277I245-N249 PolarHBondContact O-N 3.11Å; I245-N249 PolarHBondContact O-ND2 3.25Å; N246-N249 PolarHBondContact O-N 3.17Å; N249-K252 PolarHBondContact O-N 2.92Å; N249-Q253 WeakPolarHBondContact O-CB 3.45Å; N249-Q253 PolarHBondContact O-N 3.02Å; N249-A277 PolarHBondContact OD1-O 3.03Å
250Y98.7Very high98.2Very high56 Ų5653.7 Ų53.722%0.2227%0.268CS..Hα-helixtrans-59.5-46.7176.3172.6-98.7000112.1K218 L221 N246 M247 I248 Q253 K254K218-Y250 HydrophobicContact CB-CE1 3.97Å; K218-Y250 HydrophobicContact CD-CD1 4.18Å; K218-Y250 HydrophobicContact CD-CD2 4.4Å; K218-Y250 HydrophobicContact CD-CE1 3.8Å; K218-Y250 HydrophobicContact CD-CE2 4.03Å; K218-Y250 HydrophobicContact CD-CG 4.46Å; K218-Y250 HydrophobicContact CG-CD1 4.05Å; K218-Y250 HydrophobicContact CG-CE1 3.59Å; L221-Y250 HydrophobicContact CD2-CD1 4.47Å; L221-Y250 HydrophobicContact CD2-CE1 4.1Å; N246-Y250 WeakPolarHBondContact O-CB 3.4Å; N246-Y250 PolarHBondContact O-N 2.82Å; M247-Y250 PolarHBondContact O-N 3.36Å; M247-Y250 HydrophobicContact SD-CD1 4.06Å; I248-Y250 VanDerWaalsContact C-N 3.32Å; I248-Y250 PolarHBondContact O-N 3.22Å; Y250-Q253 PolarHBondContact O-N 3.39Å; Y250-K254 HydrophobicContact CE1-CD 4.18Å; Y250-K254 HydrophobicContact CE2-CD 4.29Å; Y250-K254 WeakPolarHBondContact O-CB 3.32Å; Y250-K254 PolarHBondContact O-N 3.49Å; Y250-K254 VanDerWaalsContact OH-CD 3.3Å; Y250-K254 WeakPolarHBondContact OH-CD 3.15Å; Y250-K254 PolarHBondContact OH-NZ 3.09Å; Y250-K254 VanDerWaalsContact OH-NZ 3.08Å
251I98.6Very high98.3Very high0 Ų051.4 Ų51.40%026%0.256CS..Hα-helixtrans-62.1-48.3178.3-66.6162.2000110.5I211 L221 V232 L234 M247 I248 Q253 K254 Y255 L258 V260I211-I251 HydrophobicContact CD1-CD1 4.18Å; L221-I251 HydrophobicContact CD2-CD1 4.45Å; L221-I251 HydrophobicContact CD2-CG1 3.62Å; V232-I251 HydrophobicContact CG2-CD1 4.35Å; L234-I251 HydrophobicContact CD1-CD1 4.5Å; L234-I251 HydrophobicContact CD2-CD1 3.93Å; M247-I251 HydrophobicContact CG-CD1 3.89Å; M247-I251 HydrophobicContact CG-CG1 4.44Å; M247-I251 WeakPolarHBondContact O-CD1 3.45Å; M247-I251 WeakPolarHBondContact O-CG1 3.47Å; M247-I251 PolarHBondContact O-N 3.32Å; M247-I251 HydrophobicContact SD-CD1 4.3Å; M247-I251 HydrophobicContact SD-CG1 4.32Å; I248-I251 PolarHBondContact O-N 3.07Å; I248-I251 VanDerWaalsContact O-N 3.16Å; I251-Q253 VanDerWaalsContact C-N 3.26Å; I251-Q253 PolarHBondContact O-N 2.97Å; I251-K254 PolarHBondContact O-N 2.95Å; I251-Y255 CarbonylContact O-C 3.55Å; I251-Y255 WeakPolarHBondContact O-CA 3.48Å; I251-Y255 PolarHBondContact O-N 3.22Å; I251-L258 HydrophobicContact CG2-CD2 3.83Å; I251-L258 HydrophobicContact CG2-CG 4.5Å; I251-V260 HydrophobicContact CB-CG2 4.2Å; I251-V260 HydrophobicContact CD1-CG1 4.39Å; I251-V260 HydrophobicContact CD1-CG2 4.44Å; I251-V260 HydrophobicContact CG2-CG2 3.43Å; I251-V260 VanDerWaalsContact CG2-CG2 3.43Å
252K98.3Very high98.3Very high51 Ų5150.5 Ų50.522%0.22225%0.249CC..Hα-helixtrans-66.3-28.6-178.4-60.5-53.6-68-176.60112.3I248 N249 P256 L258 V260 D280I248-K252 HydrophobicContact CG2-CG 4.23Å; I248-K252 WeakPolarHBondContact O-CG 3.4Å; I248-K252 PolarHBondContact O-N 3.29Å; N249-K252 PolarHBondContact O-N 2.92Å; K252-P256 PolarHBondContact NZ-O 2.89Å; K252-P256 VanDerWaalsContact O-CA 3.29Å; K252-P256 WeakPolarHBondContact O-CA 3.42Å; K252-L258 PolarHBondContact NZ-O 2.83Å; K252-L258 VanDerWaalsContact NZ-O 3.13Å; K252-V260 HydrophobicContact CD-CG2 4.02Å; K252-D280 IonicContact NZ-OD1 3.69Å; K252-D280 IonicContact NZ-OD2 3.64Å; K252-D280 PolarHBondContact NZ-OD2 3.01Å
253Q98.4Very high98.2Very high165 Ų16545.7 Ų45.777%0.77122%0.22SC*.Hα-helixtrans-73.5-46.1173.6-173.4-179.318.700112.3N249 Y250 I251N249-Q253 WeakPolarHBondContact O-CB 3.45Å; N249-Q253 PolarHBondContact O-N 3.02Å; Y250-Q253 PolarHBondContact O-N 3.39Å; I251-Q253 VanDerWaalsContact C-N 3.26Å; I251-Q253 PolarHBondContact O-N 2.97Å
254K98.4Very high98.3Very high81 Ų8140 Ų4035%0.35220%0.198SC..Hα-helixtrans-80.7-38-174.9-170174.6-177.6-176.30113.1D222 Y250 I251D222-K254 WeakPolarHBondContact OD1-CE 3.44Å; D222-K254 IonicContact OD1-NZ 2.83Å; D222-K254 PolarHBondContact OD1-NZ 2.84Å; D222-K254 IonicContact OD2-NZ 2.78Å; D222-K254 PolarHBondContact OD2-NZ 3.01Å; Y250-K254 HydrophobicContact CE1-CD 4.18Å; Y250-K254 HydrophobicContact CE2-CD 4.29Å; Y250-K254 WeakPolarHBondContact O-CB 3.32Å; Y250-K254 PolarHBondContact O-N 3.49Å; Y250-K254 VanDerWaalsContact OH-CD 3.3Å; Y250-K254 WeakPolarHBondContact OH-CD 3.15Å; Y250-K254 PolarHBondContact OH-NZ 3.09Å; Y250-K254 VanDerWaalsContact OH-NZ 3.08Å; I251-K254 PolarHBondContact O-N 2.95Å
255Y98.2Very high98.3Very high53 Ų5340 Ų4021%0.20820%0.199CC..  trans-132.671.9-175.9-58.2-62.4000110.2L221 D222 M225 I251 D257 L258L221-Y255 HydrophobicContact CD2-CD2 4.01Å; L221-Y255 HydrophobicContact CD2-CE2 4Å; L221-Y255 HydrophobicContact CG-CD2 4.29Å; L221-Y255 HydrophobicContact CG-CE2 4.09Å; D222-Y255 PolarHBondContact OD1-OH 3.38Å; M225-Y255 HydrophobicContact CB-CE1 4.31Å; M225-Y255 HydrophobicContact CE-CD1 3.82Å; M225-Y255 HydrophobicContact CE-CE1 4.32Å; M225-Y255 HydrophobicContact CE-CG 4.08Å; M225-Y255 HydrophobicContact CG-CD1 4.19Å; M225-Y255 HydrophobicContact CG-CD2 3.9Å; M225-Y255 HydrophobicContact CG-CE1 4.08Å; M225-Y255 HydrophobicContact CG-CE2 3.78Å; M225-Y255 HydrophobicContact CG-CG 4.09Å; M225-Y255 HydrophobicContact SD-CG 4.38Å; I251-Y255 CarbonylContact O-C 3.55Å; I251-Y255 WeakPolarHBondContact O-CA 3.48Å; I251-Y255 PolarHBondContact O-N 3.22Å; Y255-D257 PolarHBondContact O-N 3.18Å; Y255-D257 VanDerWaalsContact O-N 3.16Å; Y255-L258 WeakPolarHBondContact O-CB 3.48Å; Y255-L258 PolarHBondContact O-N 2.95Å
256P97.3Very high98.2Very high80 Ų8038.5 Ų38.552%0.51919%0.191SC..THydrogen-bonded Turntrans-60.1-31.2-170.822.5-34.1000114.1K252K252-P256 PolarHBondContact NZ-O 2.89Å; K252-P256 VanDerWaalsContact O-CA 3.29Å; K252-P256 WeakPolarHBondContact O-CA 3.42Å
257D96.4Very high98.2Very high119 Ų11936.2 Ų36.264%0.63618%0.181SC*.THydrogen-bonded Turntrans-81.3-19179-73.5-48.7000114.2K19 Y255 Q259K19-D257 IonicContact NZ-OD1 3.57Å; K19-D257 PolarHBondContact NZ-OD1 3.01Å; Y255-D257 PolarHBondContact O-N 3.18Å; Y255-D257 VanDerWaalsContact O-N 3.16Å; D257-Q259 PolarHBondContact O-N 3.42Å
258L98.3Very high98.2Very high10 Ų1037.5 Ų37.55%0.05219%0.192CC..SBendtrans-63.2133.8178.4-177.862.4000109.8L221 M225 V229 V232 I251 K252 Y255L221-L258 HydrophobicContact CD1-CD2 3.81Å; M225-L258 HydrophobicContact CG-CD2 4.43Å; M225-L258 HydrophobicContact SD-CB 4.27Å; M225-L258 HydrophobicContact SD-CD1 3.7Å; M225-L258 HydrophobicContact SD-CD2 3.56Å; M225-L258 VanDerWaalsContact SD-CD2 3.56Å; M225-L258 HydrophobicContact SD-CG 4.03Å; V229-L258 HydrophobicContact CG1-CD1 4.25Å; V232-L258 HydrophobicContact CG1-CD2 4.03Å; V232-L258 HydrophobicContact CG2-CD2 3.72Å; V232-L258 HydrophobicContact CG2-CG 4.21Å; I251-L258 HydrophobicContact CG2-CD2 3.83Å; I251-L258 HydrophobicContact CG2-CG 4.5Å; K252-L258 PolarHBondContact NZ-O 2.83Å; K252-L258 VanDerWaalsContact NZ-O 3.13Å; Y255-L258 WeakPolarHBondContact O-CB 3.48Å; Y255-L258 PolarHBondContact O-N 2.95Å
259Q98.6Very high98.2Very high6 Ų640.7 Ų40.73%0.02822%0.218CC..EExtended strand (participates in β ladder)trans-84.6128.8176.5-63-64.9-81.400110.1T17 K19 I20 V231 V232 D257 D280T17-Q259 HydrophobicContact CG2-CB 4.04Å; T17-Q259 PolarHBondContact OG1-OE1 3.12Å; K19-Q259 HydrophobicContact CB-CG 4.43Å; I20-Q259 HydrophobicContact CD1-CB 3.92Å; I20-Q259 HydrophobicContact CD1-CG 3.72Å; I20-Q259 HydrophobicContact CG1-CG 4.03Å; V231-Q259 WeakPolarHBondContact CA-O 3.41Å; V231-Q259 HydrophobicContact CB-CB 4.28Å; V231-Q259 HydrophobicContact CG2-CB 4.03Å; V231-Q259 WeakPolarHBondContact CG2-O 3.29Å; V232-Q259 PolarHBondContact N-O 3.35Å; D257-Q259 PolarHBondContact O-N 3.42Å; Q259-D280 WeakPolarHBondContact CA-OD2 3.42Å; Q259-D280 PolarHBondContact NE2-OD1 2.61Å
260V98.8Very high98.2Very high0 Ų038.3 Ų38.30%021%0.205CC..EExtended strand (participates in β ladder)trans-118.9125.4-175.8-174.10000110.7V232 L234 I248 I251 K252 D280 A281V232-V260 HydrophobicContact CG2-CG1 4.4Å; V232-V260 HydrophobicContact CG2-CG2 4.08Å; L234-V260 HydrophobicContact CD1-CG1 4.23Å; L234-V260 HydrophobicContact CG-CG1 4.25Å; I248-V260 HydrophobicContact CG1-CG1 4.47Å; I251-V260 HydrophobicContact CB-CG2 4.2Å; I251-V260 HydrophobicContact CD1-CG1 4.39Å; I251-V260 HydrophobicContact CD1-CG2 4.44Å; I251-V260 HydrophobicContact CG2-CG2 3.43Å; I251-V260 VanDerWaalsContact CG2-CG2 3.43Å; K252-V260 HydrophobicContact CD-CG2 4.02Å; V260-D280 PolarHBondContact N-OD2 2.72Å; V260-D280 PolarHBondContact O-N 2.76Å; V260-A281 PolarHBondContact O-N 3.35Å
261I98.9Very high98.2Very high0 Ų035.7 Ų35.70%020%0.195CC..EExtended strand (participates in β ladder)trans-102.4116173.1-56.5173.5000107.9L16 T17 V231 V232 V233 L234 A281 R283 I323L16-I261 HydrophobicContact CD1-CD1 4.08Å; L16-I261 HydrophobicContact CG-CD1 4.3Å; T17-I261 HydrophobicContact CG2-CD1 4.35Å; T17-I261 HydrophobicContact CG2-CG1 4.09Å; V231-I261 HydrophobicContact CG2-CD1 3.5Å; V231-I261 VanDerWaalsContact CG2-CD1 3.5Å; V231-I261 HydrophobicContact CG2-CG1 3.62Å; V232-I261 PolarHBondContact O-N 3.46Å; V233-I261 WeakPolarHBondContact CA-O 3.2Å; V233-I261 HydrophobicContact CB-CB 4.48Å; V233-I261 HydrophobicContact CG1-CG2 4.41Å; V233-I261 HydrophobicContact CG2-CB 4.03Å; V233-I261 HydrophobicContact CG2-CD1 3.86Å; V233-I261 HydrophobicContact CG2-CG1 4.41Å; V233-I261 HydrophobicContact CG2-CG2 4.41Å; L234-I261 PolarHBondContact N-O 3.09Å; I261-A281 HydrophobicContact CG1-CB 4.03Å; I261-A281 HydrophobicContact CG2-CB 4.39Å; I261-R283 HydrophobicContact CG2-CB 3.96Å; I261-I323 HydrophobicContact CD1-CD1 3.73Å; I261-I323 HydrophobicContact CG1-CD1 4.4Å; I261-I323 HydrophobicContact CG2-CD1 3.84Å
262G98.7Very high98.2Very high0 Ų039.9 Ų39.90%021%0.213CC..EExtended strand (participates in β ladder)trans-95.7145.2176.900000112.7A281 L282 R283G262-A281 PolarHBondContact N-O 3.42Å; G262-L282 WeakPolarHBondContact O-CA 3.16Å; G262-R283 PolarHBondContact O-N 3.28Å
263G96.4Very high98.2Very high0 Ų040.4 Ų40.40%022%0.218CC..EExtended strand (participates in β ladder)trans169.7-179.1178.400000114.9L234 G239 Q244L234-G263 VanDerWaalsContact O-O 3.08Å; G239-G263 WeakPolarHBondContact CA-O 3.35Å; Q244-G263 PolarHBondContact NE2-O 2.75Å; Q244-G263 PolarHBondContact OE1-O 2.96Å
264N97.9Very high98.3Very high6 Ų632.6 Ų32.63%0.03218%0.181CC..EExtended strand (participates in β ladder)cis-88.6145.2-1.8-71.927.8000112S236 G239 R283 G285 D325S236-N264 PolarHBondContact O-N 3.04Å; S236-N264 VanDerWaalsContact O-N 3.09Å; G239-N264 PolarHBondContact N-O 2.86Å; N264-R283 WeakPolarHBondContact CA-O 3.33Å; N264-R283 WeakPolarHBondContact OD1-CD 3.22Å; N264-R283 WeakPolarHBondContact OD1-CG 3.44Å; N264-R283 PolarHBondContact OD1-NE 3.03Å; N264-G285 WeakPolarHBondContact CB-O 3.46Å; N264-G285 PolarHBondContact ND2-O 3.07Å; N264-D325 PolarHBondContact ND2-OD2 3.46Å; N264-D325 VanDerWaalsContact ND2-OD2 3.1Å
265V98.3Very high98.3Very high1 Ų129.1 Ų29.11%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-122.8154.8174.4-58.30000111.2Q270 A271 L274 L282 R283 V284 G285 V311V265-Q270 HydrophobicContact CB-CB 3.8Å; V265-Q270 HydrophobicContact CG1-CB 3.71Å; V265-A271 HydrophobicContact CG2-CB 4.41Å; V265-L274 HydrophobicContact CG1-CD1 3.5Å; V265-L274 VanDerWaalsContact CG1-CD1 3.5Å; V265-L274 HydrophobicContact CG1-CG 4.26Å; V265-L282 HydrophobicContact CG2-CD2 4.33Å; V265-R283 PolarHBondContact N-O 2.92Å; V265-R283 VanDerWaalsContact N-O 3.07Å; V265-V284 HydrophobicContact CG2-CG2 3.97Å; V265-V284 VanDerWaalsContact O-CA 3.3Å; V265-V284 WeakPolarHBondContact O-CA 3.42Å; V265-V284 WeakPolarHBondContact O-CG1 3.32Å; V265-G285 PolarHBondContact O-N 3.3Å; V265-V311 HydrophobicContact CG2-CG1 4.34Å
266V98.3Very high98.3Very high9 Ų931 Ų316%0.05518%0.18CC..  trans-132.11.5177.3-680000113.8M286 R302V266-M286 HydrophobicContact CG1-CB 3.54Å; V266-R302 HydrophobicContact CB-CB 4.08Å; V266-R302 HydrophobicContact CG2-CB 4.38Å; V266-R302 WeakPolarHBondContact O-CD 3.46Å; V266-R302 PolarHBondContact O-NH1 3.27Å; V266-R302 VanDerWaalsContact O-NH1 3.15Å
267T98.6Very high98.4Very high43 Ų4327.7 Ų27.726%0.26416%0.16SC..SBendtrans-137.8155.8-179.268.30000112.3A269 Q270 A271T267-A269 VanDerWaalsContact C-N 3.27Å; T267-A269 PolarHBondContact O-N 3.14Å; T267-Q270 PolarHBondContact O-N 3.4Å; T267-Q270 VanDerWaalsContact OG1-CD 3.29Å; T267-Q270 VanDerWaalsContact OG1-CG 3.26Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.46Å; T267-Q270 PolarHBondContact OG1-N 3.32Å; T267-Q270 PolarHBondContact OG1-OE1 2.9Å; T267-A271 WeakPolarHBondContact O-CB 3.42Å; T267-A271 PolarHBondContact O-N 3.48Å
268A98.4Very high98.4Very high32 Ų3223.3 Ų23.326%0.26414%0.143SC..Hα-helixtrans-63.4-31.5175.300000112.8A271 K272 Y314A268-A271 PolarHBondContact O-N 3.39Å; A268-K272 WeakPolarHBondContact O-CB 3.36Å; A268-K272 PolarHBondContact O-N 3.49Å; A268-Y314 HydrophobicContact CB-CD2 4.29Å; A268-Y314 HydrophobicContact CB-CG 4.05Å
269A98.5Very high98.4Very high67 Ų6722.9 Ų22.955%0.55414%0.141SC*.Hα-helixtrans-65.6-45.5177.200000111.9T267 A271 K272 N273T267-A269 VanDerWaalsContact C-N 3.27Å; T267-A269 PolarHBondContact O-N 3.14Å; A269-A271 VanDerWaalsContact C-N 3.34Å; A269-K272 WeakPolarHBondContact O-CB 3.42Å; A269-K272 PolarHBondContact O-N 3.17Å; A269-N273 PolarHBondContact O-N 3.47Å
270Q98.6Very high98.5Very high26 Ų2623.2 Ų23.212%0.12114%0.143CC..Hα-helixtrans-63.8-42.1173.7-66.5163.9-4100111.2N240 V265 T267 K272 N273 L274N240-Q270 HydrophobicContact CB-CB 3.9Å; N240-Q270 HydrophobicContact CB-CG 3.65Å; V265-Q270 HydrophobicContact CB-CB 3.8Å; V265-Q270 HydrophobicContact CG1-CB 3.71Å; T267-Q270 PolarHBondContact O-N 3.4Å; T267-Q270 VanDerWaalsContact OG1-CD 3.29Å; T267-Q270 VanDerWaalsContact OG1-CG 3.26Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.46Å; T267-Q270 PolarHBondContact OG1-N 3.32Å; T267-Q270 PolarHBondContact OG1-OE1 2.9Å; Q270-K272 PolarHBondContact O-N 2.83Å; Q270-N273 PolarHBondContact O-N 3.21Å; Q270-L274 PolarHBondContact O-N 3.38Å
271A98.7Very high98.5Very high0 Ų023.2 Ų23.20%014%0.143CC..Hα-helixtrans-59.4-44.4177.100000112V265 T267 A268 A269 N273 L274 I275 L282 V311 Y314V265-A271 HydrophobicContact CG2-CB 4.41Å; T267-A271 WeakPolarHBondContact O-CB 3.42Å; T267-A271 PolarHBondContact O-N 3.48Å; A268-A271 PolarHBondContact O-N 3.39Å; A269-A271 VanDerWaalsContact C-N 3.34Å; A271-N273 PolarHBondContact O-N 2.95Å; A271-L274 PolarHBondContact O-N 3Å; A271-I275 WeakPolarHBondContact O-CB 3.39Å; A271-I275 VanDerWaalsContact O-CG1 3.23Å; A271-I275 WeakPolarHBondContact O-CG1 3.39Å; A271-I275 PolarHBondContact O-N 2.93Å; A271-L282 HydrophobicContact CB-CD1 3.63Å; A271-V311 HydrophobicContact CB-CG1 3.81Å; A271-Y314 HydrophobicContact CB-CD1 4.41Å
272K98.7Very high98.5Very high89 Ų8923.2 Ų23.239%0.38714%0.143SC..Hα-helixtrans-52-52.6174.9178.5179.1-174.9-57.30111.5A268 A269 Q270 L274 I275 D276 Y314A268-K272 WeakPolarHBondContact O-CB 3.36Å; A268-K272 PolarHBondContact O-N 3.49Å; A269-K272 WeakPolarHBondContact O-CB 3.42Å; A269-K272 PolarHBondContact O-N 3.17Å; Q270-K272 PolarHBondContact O-N 2.83Å; K272-L274 VanDerWaalsContact C-N 3.31Å; K272-L274 PolarHBondContact O-N 2.92Å; K272-I275 PolarHBondContact O-N 3.41Å; K272-D276 WeakPolarHBondContact CG-OD2 3.2Å; K272-D276 IonicContact NZ-OD2 3.84Å; K272-D276 PolarHBondContact NZ-OD2 2.74Å; K272-D276 WeakPolarHBondContact O-CB 3.24Å; K272-D276 PolarHBondContact O-N 3Å; K272-Y314 HydrophobicContact CB-CE1 3.76Å; K272-Y314 WeakPolarHBondContact CB-OH 3.39Å; K272-Y314 WeakPolarHBondContact CD-OH 3.47Å; K272-Y314 HydrophobicContact CG-CE1 4.41Å; K272-Y314 WeakPolarHBondContact CG-OH 3.45Å
273N98.8Very high98.5Very high62 Ų6223.2 Ų23.233%0.33214%0.143SC..Hα-helixtrans-60.7-40.5-175.9-65.7-8.7000112.6N240 I245 A269 Q270 A271 A277N240-N273 PolarHBondContact ND2-ND2 3.49Å; N240-N273 WeakPolarHBondContact OD1-CB 3.41Å; N240-N273 PolarHBondContact OD1-ND2 3.01Å; I245-N273 HydrophobicContact CD1-CB 4.39Å; A269-N273 PolarHBondContact O-N 3.47Å; Q270-N273 PolarHBondContact O-N 3.21Å; A271-N273 PolarHBondContact O-N 2.95Å; N273-A277 WeakPolarHBondContact O-CB 3.37Å; N273-A277 PolarHBondContact O-N 2.94Å; N273-A277 VanDerWaalsContact O-N 3.11Å
274L98.8Very high98.6Very high0 Ų023.2 Ų23.20%014%0.143CC..Hα-helixtrans-73.2-36.9177.6-60.9-168.8000112.2I245 I248 V265 Q270 A271 K272 A277 G278 V279 L282I245-L274 HydrophobicContact CG1-CD2 4.14Å; I248-L274 HydrophobicContact CD1-CD2 3.87Å; V265-L274 HydrophobicContact CG1-CD1 3.5Å; V265-L274 VanDerWaalsContact CG1-CD1 3.5Å; V265-L274 HydrophobicContact CG1-CG 4.26Å; Q270-L274 PolarHBondContact O-N 3.38Å; A271-L274 PolarHBondContact O-N 3Å; K272-L274 VanDerWaalsContact C-N 3.31Å; K272-L274 PolarHBondContact O-N 2.92Å; L274-A277 PolarHBondContact O-N 3.2Å; L274-G278 PolarHBondContact O-N 2.96Å; L274-V279 HydrophobicContact CB-CG1 4.11Å; L274-V279 HydrophobicContact CB-CG2 4.17Å; L274-V279 WeakPolarHBondContact O-CG1 3.22Å; L274-V279 WeakPolarHBondContact O-CG2 3.42Å; L274-V279 PolarHBondContact O-N 3Å; L274-L282 HydrophobicContact CB-CD2 3.86Å; L274-L282 HydrophobicContact CD1-CD2 4.13Å
275I98.8Very high98.5Very high9 Ų923 Ų235%0.04614%0.142CC..Hα-helixtrans-61.7-46.5174-70.3172000110.5A271 K272 A277 G278 V279 L282 Y314 A315 F318 V320A271-I275 WeakPolarHBondContact O-CB 3.39Å; A271-I275 VanDerWaalsContact O-CG1 3.23Å; A271-I275 WeakPolarHBondContact O-CG1 3.39Å; A271-I275 PolarHBondContact O-N 2.93Å; K272-I275 PolarHBondContact O-N 3.41Å; I275-A277 VanDerWaalsContact C-N 3.26Å; I275-A277 PolarHBondContact O-N 3.22Å; I275-G278 WeakPolarHBondContact O-CA 3.33Å; I275-G278 PolarHBondContact O-N 3.33Å; I275-V279 HydrophobicContact CG1-CG2 4.38Å; I275-L282 HydrophobicContact CD1-CD1 3.81Å; I275-L282 HydrophobicContact CG1-CD1 3.95Å; I275-L282 HydrophobicContact CG1-CG 4.42Å; I275-Y314 HydrophobicContact CD1-CD1 4.26Å; I275-Y314 HydrophobicContact CD1-CE1 4.21Å; I275-A315 HydrophobicContact CD1-CB 4.09Å; I275-F318 HydrophobicContact CD1-CD2 4.17Å; I275-F318 HydrophobicContact CG2-CB 3.98Å; I275-F318 HydrophobicContact CG2-CD1 4.14Å; I275-F318 HydrophobicContact CG2-CD2 4.24Å; I275-F318 HydrophobicContact CG2-CG 3.86Å; I275-V320 HydrophobicContact CD1-CB 4.29Å; I275-V320 HydrophobicContact CD1-CG2 4.32Å; I275-V320 HydrophobicContact CG1-CB 4.38Å; I275-V320 HydrophobicContact CG1-CG1 4.27Å; I275-V320 HydrophobicContact CG1-CG2 4.11Å; I275-V320 HydrophobicContact CG2-CG2 4.29Å
276D98.6Very high98.4Very high91 Ų9123.9 Ų23.949%0.48715%0.146SC..Hα-helixtrans-63.5-33.5178.8-67.5-13.9000111.7K272 G278K272-D276 WeakPolarHBondContact CG-OD2 3.2Å; K272-D276 IonicContact NZ-OD2 3.84Å; K272-D276 PolarHBondContact NZ-OD2 2.74Å; K272-D276 WeakPolarHBondContact O-CB 3.24Å; K272-D276 PolarHBondContact O-N 3Å; D276-G278 PolarHBondContact O-N 2.84Å
277A98.5Very high97.9Very high12 Ų1224.1 Ų24.110%0.09915%0.151CC..THydrogen-bonded Turntrans-70-14.4172.800000113.5I245 I248 N249 N273 L274 I275I245-A277 HydrophobicContact CG2-CB 4.06Å; I248-A277 HydrophobicContact CB-CB 4.27Å; I248-A277 HydrophobicContact CD1-CB 4.11Å; I248-A277 HydrophobicContact CG2-CB 4.1Å; I248-A277 WeakPolarHBondContact CG2-O 3.39Å; N249-A277 PolarHBondContact OD1-O 3.03Å; N273-A277 WeakPolarHBondContact O-CB 3.37Å; N273-A277 PolarHBondContact O-N 2.94Å; N273-A277 VanDerWaalsContact O-N 3.11Å; L274-A277 PolarHBondContact O-N 3.2Å; I275-A277 VanDerWaalsContact C-N 3.26Å; I275-A277 PolarHBondContact O-N 3.22Å
278G98.1Very high97.4Very high27 Ų2723.4 Ų23.428%0.27815%0.147SC..THydrogen-bonded Turntrans102.426.7172.700000115.8L274 I275 D276L274-G278 PolarHBondContact O-N 2.96Å; I275-G278 WeakPolarHBondContact O-CA 3.33Å; I275-G278 PolarHBondContact O-N 3.33Å; D276-G278 PolarHBondContact O-N 2.84Å
279V98.6Very high96.7Very high0 Ų023.1 Ų23.10%015%0.147CC..  trans-64.6145.5172.2-58.90000112.2I248 L274 I275 L282I248-V279 HydrophobicContact CD1-CG1 3.41Å; I248-V279 VanDerWaalsContact CD1-CG1 3.41Å; I248-V279 HydrophobicContact CG1-CG1 3.9Å; I248-V279 HydrophobicContact CG2-CG1 4.08Å; L274-V279 HydrophobicContact CB-CG1 4.11Å; L274-V279 HydrophobicContact CB-CG2 4.17Å; L274-V279 WeakPolarHBondContact O-CG1 3.22Å; L274-V279 WeakPolarHBondContact O-CG2 3.42Å; L274-V279 PolarHBondContact O-N 3Å; I275-V279 HydrophobicContact CG1-CG2 4.38Å; V279-L282 HydrophobicContact CG2-CD2 3.89Å; V279-L282 HydrophobicContact CG2-CG 4.28Å
280D98.8Very high96Very high13 Ų1323.1 Ų23.17%0.0714%0.143CC..SBendtrans-90.8-16177.7-59.8-76.6000112.6T17 R18 K252 Q259 V260 P321T17-D280 WeakPolarHBondContact CA-O 3.39Å; R18-D280 PolarHBondContact N-O 2.94Å; R18-D280 VanDerWaalsContact N-O 3.11Å; K252-D280 IonicContact NZ-OD1 3.69Å; K252-D280 IonicContact NZ-OD2 3.64Å; K252-D280 PolarHBondContact NZ-OD2 3.01Å; Q259-D280 WeakPolarHBondContact CA-OD2 3.42Å; Q259-D280 PolarHBondContact NE2-OD1 2.61Å; V260-D280 PolarHBondContact N-OD2 2.72Å; V260-D280 PolarHBondContact O-N 2.76Å; D280-P321 WeakPolarHBondContact O-CD 3.48Å
281A98.9Very high95.4Very high0 Ų022.8 Ų22.80%014%0.142CC..EExtended strand (participates in β ladder)trans-156.7164.9168.800000111.6L16 T17 V260 I261 G262 P321L16-A281 WeakPolarHBondContact O-CB 3.38Å; T17-A281 HydrophobicContact CG2-CB 4.22Å; V260-A281 PolarHBondContact O-N 3.35Å; I261-A281 HydrophobicContact CG1-CB 4.03Å; I261-A281 HydrophobicContact CG2-CB 4.39Å; G262-A281 PolarHBondContact N-O 3.42Å; A281-P321 WeakPolarHBondContact CA-O 3.3Å; A281-P321 HydrophobicContact CB-CB 4.43Å
282L98.9Very high94.8Very high0 Ų024.5 Ų24.50%015%0.154CC..EExtended strand (participates in β ladder)trans-115.3130.5176.2-71.9169.9000111.9G262 V265 A271 L274 I275 V279 V284 V311 A315 V320 P321 V322 I323G262-L282 WeakPolarHBondContact O-CA 3.16Å; V265-L282 HydrophobicContact CG2-CD2 4.33Å; A271-L282 HydrophobicContact CB-CD1 3.63Å; L274-L282 HydrophobicContact CB-CD2 3.86Å; L274-L282 HydrophobicContact CD1-CD2 4.13Å; I275-L282 HydrophobicContact CD1-CD1 3.81Å; I275-L282 HydrophobicContact CG1-CD1 3.95Å; I275-L282 HydrophobicContact CG1-CG 4.42Å; V279-L282 HydrophobicContact CG2-CD2 3.89Å; V279-L282 HydrophobicContact CG2-CG 4.28Å; L282-V284 HydrophobicContact CB-CG2 4.41Å; L282-V311 HydrophobicContact CD1-CG1 3.9Å; L282-A315 HydrophobicContact CD1-CB 4.06Å; L282-V320 HydrophobicContact CD1-CG1 4.31Å; L282-V320 HydrophobicContact CG-CG1 4.05Å; L282-P321 PolarHBondContact N-O 3.29Å; L282-V322 HydrophobicContact CB-CG2 4.41Å; L282-I323 PolarHBondContact O-N 3.33Å
283R98.8Very high94.2Very high1 Ų122.3 Ų22.30%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-93.7119.4168.4-176178.4175.6-165.30.1109.8D235 I261 G262 N264 V265 D325 M346D235-R283 IonicContact OD1-CZ 3.09Å; D235-R283 IonicContact OD1-NH1 3.13Å; D235-R283 PolarHBondContact OD1-NH1 3.28Å; D235-R283 IonicContact OD1-NH2 3.86Å; I261-R283 HydrophobicContact CG2-CB 3.96Å; G262-R283 PolarHBondContact O-N 3.28Å; N264-R283 WeakPolarHBondContact CA-O 3.33Å; N264-R283 WeakPolarHBondContact OD1-CD 3.22Å; N264-R283 WeakPolarHBondContact OD1-CG 3.44Å; N264-R283 PolarHBondContact OD1-NE 3.03Å; V265-R283 PolarHBondContact N-O 2.92Å; V265-R283 VanDerWaalsContact N-O 3.07Å; R283-D325 HydrophobicContact CG-CB 3.97Å; R283-D325 IonicContact CZ-OD2 3.65Å; R283-D325 IonicContact NE-OD2 3.96Å; R283-D325 PolarHBondContact NE-OD2 3.43Å; R283-D325 IonicContact NH2-OD1 3.33Å; R283-D325 IonicContact NH2-OD2 3.32Å; R283-D325 PolarHBondContact NH2-OD2 2.8Å; R283-M346 VanDerWaalsContact CZ-SD 3.55Å; R283-M346 PolarHBondContact NE-SD 3.26Å; R283-M346 VanDerWaalsContact NE-SD 3.37Å
284V98.7Very high93.6Very high0 Ų019.5 Ų19.50%013%0.131CC..EExtended strand (participates in β ladder)trans-114.7125.9-170.1178.10000111V265 L282 Q304 V308 V311 V322 I323 D325V265-V284 HydrophobicContact CG2-CG2 3.97Å; V265-V284 VanDerWaalsContact O-CA 3.3Å; V265-V284 WeakPolarHBondContact O-CA 3.42Å; V265-V284 WeakPolarHBondContact O-CG1 3.32Å; L282-V284 HydrophobicContact CB-CG2 4.41Å; V284-Q304 PolarHBondContact O-NE2 2.95Å; V284-V308 HydrophobicContact CG1-CG2 4.12Å; V284-V311 HydrophobicContact CG1-CB 4.42Å; V284-V311 HydrophobicContact CG1-CG2 4.33Å; V284-V311 HydrophobicContact CG2-CB 3.97Å; V284-V311 HydrophobicContact CG2-CG1 3.55Å; V284-V311 HydrophobicContact CG2-CG2 4.35Å; V284-V322 HydrophobicContact CB-CG1 4.12Å; V284-V322 HydrophobicContact CG2-CG1 3.56Å; V284-I323 PolarHBondContact N-O 3.44Å; V284-D325 PolarHBondContact O-N 3.39Å
285G96.9Very high93.2Very high2 Ų223.3 Ų23.32%0.02115%0.149CC..  trans138.4133172.300000113.9N264 V265N264-G285 WeakPolarHBondContact CB-O 3.46Å; N264-G285 PolarHBondContact ND2-O 3.07Å; V265-G285 PolarHBondContact O-N 3.3Å
286M94.6Very high92.5Very high18 Ų1830.5 Ų30.59%0.08918%0.182CC..SBendtrans-144.2128.2178.4-176.1-179175.800108.9S237 Q238 V266 C288 T294 Q295 C300S237-M286 WeakPolarHBondContact O-CG 3.32Å; Q238-M286 HydrophobicContact CB-CE 4.18Å; Q238-M286 HydrophobicContact CB-SD 4.26Å; Q238-M286 HydrophobicContact CG-CE 4.43Å; Q238-M286 HydrophobicContact CG-SD 4.22Å; V266-M286 HydrophobicContact CG1-CB 3.54Å; M286-C288 VanDerWaalsContact C-N 3.28Å; M286-C288 PolarHBondContact O-N 3.48Å; M286-T294 HydrophobicContact CE-CG2 3.78Å; M286-Q295 PolarHBondContact O-NE2 2.85Å; M286-C300 HydrophobicContact CE-CB 4.02Å
287G88.3Confident92Very high15 Ų1529.1 Ų29.116%0.15518%0.177CC..SBendtrans73.99177.500000116.1C292 Q295G287-C292 VanDerWaalsContact CA-SG 3.57Å; G287-Q295 PolarHBondContact O-NE2 3.39Å
288C88.1Confident91.6Very high28 Ų2832.6 Ų32.619%0.18919%0.192CC..  trans-107.1-3.6-176.261.90000114.2M286 Q304 D325 G327M286-C288 VanDerWaalsContact C-N 3.28Å; M286-C288 PolarHBondContact O-N 3.48Å; C288-Q304 HydrophobicContact CB-CB 4.02Å; C288-Q304 VanDerWaalsContact SG-CD 3.54Å; C288-Q304 PolarHBondContact SG-OE1 3.35Å; C288-D325 PolarHBondContact SG-O 3.28Å; C288-D325 VanDerWaalsContact SG-O 3.41Å; C288-G327 VanDerWaalsContact O-CA 3.27Å; C288-G327 WeakPolarHBondContact O-CA 3.48Å; C288-G327 PolarHBondContact O-N 2.99Å
289G85.2Confident91.2Very high25 Ų2535.8 Ų35.826%0.25822%0.216SC..SBendtrans-67.3149175.900000111.6I291 C292G289-I291 PolarHBondContact O-N 2.82Å; G289-C292 PolarHBondContact O-N 3.26Å
290S83.6Confident91Very high68 Ų6838.5 Ų38.548%0.47623%0.234SC..THydrogen-bonded Turntrans-62.9-11.2-174.960.70000115.4S349S290-S349 VanDerWaalsContact OG-CB 3.29Å; S290-S349 WeakPolarHBondContact OG-CB 3.28Å; S290-S349 PolarHBondContact OG-OG 2.73Å
291I84.3Confident90.7Very high18 Ų1839.3 Ų39.39%0.09225%0.246CC..THydrogen-bonded Turntrans-125.711.6-179.965.6-160.9000111.7M31 G289 Y372 R373 G402 V403M31-I291 HydrophobicContact CE-CD1 3.5Å; M31-I291 VanDerWaalsContact CE-CD1 3.5Å; G289-I291 PolarHBondContact O-N 2.82Å; I291-Y372 HydrophobicContact CD1-CD1 4.17Å; I291-Y372 HydrophobicContact CD1-CE1 3.55Å; I291-Y372 HydrophobicContact CD1-CE2 4.05Å; I291-Y372 VanDerWaalsContact CD1-CZ 3.46Å; I291-Y372 HydrophobicContact CG1-CE1 4.44Å; I291-Y372 HydrophobicContact CG2-CD1 3.74Å; I291-Y372 HydrophobicContact CG2-CE1 3.55Å; I291-R373 VanDerWaalsContact CD1-C 3.42Å; I291-G402 CarbonylContact O-C 3.57Å; I291-G402 WeakPolarHBondContact O-CA 3.35Å; I291-V403 HydrophobicContact CB-CG2 3.84Å; I291-V403 HydrophobicContact CG2-CG2 4.23Å; I291-V403 PolarHBondContact O-N 3.34Å
292C86.3Confident90.6Very high37 Ų3742.3 Ų42.325%0.2526%0.257CS..BIsolated β-bridgetrans-101.4125.4-177.4-172.40000109G287 G289 T294G287-C292 VanDerWaalsContact CA-SG 3.57Å; G289-C292 PolarHBondContact O-N 3.26Å; C292-T294 PolarHBondContact SG-OG1 3.26Å
293I87.3Confident90.5Very high42 Ų4246.6 Ų46.622%0.21529%0.285CS..  trans-11217.317859173.7000111.3Q295 E296 V297 Q401 V403I293-Q295 VanDerWaalsContact C-N 3.26Å; I293-Q295 PolarHBondContact O-N 3.19Å; I293-E296 HydrophobicContact CB-CB 4.44Å; I293-E296 WeakPolarHBondContact O-CB 3.21Å; I293-E296 PolarHBondContact O-N 3.34Å; I293-V297 HydrophobicContact CB-CG2 4.25Å; I293-V297 HydrophobicContact CD1-CG2 3.75Å; I293-V297 HydrophobicContact CG1-CG2 3.9Å; I293-V297 WeakPolarHBondContact O-CG2 3.22Å; I293-V297 PolarHBondContact O-N 3.11Å; I293-Q401 VanDerWaalsContact CG1-C 3.46Å; I293-Q401 PolarHBondContact N-O 3.35Å; I293-V403 HydrophobicContact CD1-CG1 4.21Å; I293-V403 HydrophobicContact CG2-CG1 4.08Å
294T86.4Confident90.4Very high3 Ų347.9 Ų47.92%0.01829%0.291CS..Hα-helixtrans-56.2-37.3179.3-58.60000112.8M286 C292 E296 M298 A299 Q401M286-T294 HydrophobicContact CE-CG2 3.78Å; C292-T294 PolarHBondContact SG-OG1 3.26Å; T294-E296 VanDerWaalsContact C-N 3.32Å; T294-E296 PolarHBondContact O-N 2.7Å; T294-M298 HydrophobicContact CG2-CB 4.08Å; T294-M298 HydrophobicContact CG2-CG 4.15Å; T294-M298 WeakPolarHBondContact O-CA 3.45Å; T294-M298 VanDerWaalsContact O-CB 3.25Å; T294-M298 WeakPolarHBondContact O-CB 3.02Å; T294-M298 PolarHBondContact O-N 3.36Å; T294-A299 PolarHBondContact O-N 3.22Å; T294-Q401 VanDerWaalsContact CG2-OE1 3.29Å; T294-Q401 PolarHBondContact N-O 2.93Å; T294-Q401 PolarHBondContact OG1-OE1 3.33Å
295Q89.1Confident90.4Very high80 Ų8049.6 Ų49.637%0.37431%0.309SS..Hα-helixtrans-68.1-34.2177.3-81.1-178.647.900112.5M286 G287 I293 A299 C300M286-Q295 PolarHBondContact O-NE2 2.85Å; G287-Q295 PolarHBondContact O-NE2 3.39Å; I293-Q295 VanDerWaalsContact C-N 3.26Å; I293-Q295 PolarHBondContact O-N 3.19Å; Q295-A299 WeakPolarHBondContact O-CA 3.31Å; Q295-A299 PolarHBondContact O-N 2.95Å; Q295-C300 WeakPolarHBondContact CG-O 3.29Å
296E85.6Confident90.4Very high161 Ų16152.3 Ų52.375%0.75233%0.325SS*.Hα-helixtrans-75.1-46.2178.9-175.8177.2173.900111I293 T294I293-E296 HydrophobicContact CB-CB 4.44Å; I293-E296 WeakPolarHBondContact O-CB 3.21Å; I293-E296 PolarHBondContact O-N 3.34Å; T294-E296 VanDerWaalsContact C-N 3.32Å; T294-E296 PolarHBondContact O-N 2.7Å
297V87.4Confident90.6Very high61 Ų6151.5 Ų51.537%0.3732%0.321SS..Hα-helixtrans-87.3-37.2-171.3-177.80000112.3I293 V399I293-V297 HydrophobicContact CB-CG2 4.25Å; I293-V297 HydrophobicContact CD1-CG2 3.75Å; I293-V297 HydrophobicContact CG1-CG2 3.9Å; I293-V297 WeakPolarHBondContact O-CG2 3.22Å; I293-V297 PolarHBondContact O-N 3.11Å; V297-V399 HydrophobicContact CG1-CG1 3.32Å
298M88.9Confident91.1Very high85 Ų8550.8 Ų50.842%0.41931%0.314SS..Hα-helixtrans-1080.2-176.4-52.9-8370.800113.5T294 C300 V399 Q401T294-M298 HydrophobicContact CG2-CB 4.08Å; T294-M298 HydrophobicContact CG2-CG 4.15Å; T294-M298 WeakPolarHBondContact O-CA 3.45Å; T294-M298 VanDerWaalsContact O-CB 3.25Å; T294-M298 WeakPolarHBondContact O-CB 3.02Å; T294-M298 PolarHBondContact O-N 3.36Å; M298-C300 HydrophobicContact CB-CB 4.47Å; M298-C300 PolarHBondContact O-N 3.25Å; M298-V399 HydrophobicContact CE-CG1 4.03Å; M298-Q401 HydrophobicContact CG-CG 4Å; M298-Q401 HydrophobicContact SD-CG 4.47Å
299A91.3Very high91.6Very high95 Ų9553.5 Ų53.579%0.78532%0.32SS*.  trans53.818.7-176.400000114.4T294 Q295T294-A299 PolarHBondContact O-N 3.22Å; Q295-A299 WeakPolarHBondContact O-CA 3.31Å; Q295-A299 PolarHBondContact O-N 2.95Å
300C92.9Very high92.2Very high56 Ų5656.7 Ų56.738%0.37833%0.327SS..  trans-121.2126.5-172.2-168.80000111M286 Q295 M298M286-C300 HydrophobicContact CE-CB 4.02Å; Q295-C300 WeakPolarHBondContact CG-O 3.29Å; M298-C300 HydrophobicContact CB-CB 4.47Å; M298-C300 PolarHBondContact O-N 3.25Å
301G93.8Very high92.9Very high31 Ų3153.4 Ų53.432%0.3231%0.305SS..  trans156.4-174-179.400000110.5
302R96.4Very high93.6Very high63 Ų6352.7 Ų52.724%0.23830%0.301CS..  trans-159147.5-179.6-170178.5-163-178.512.4110.6V266 Q304 S307V266-R302 HydrophobicContact CB-CB 4.08Å; V266-R302 HydrophobicContact CG2-CB 4.38Å; V266-R302 WeakPolarHBondContact O-CD 3.46Å; V266-R302 PolarHBondContact O-NH1 3.27Å; V266-R302 VanDerWaalsContact O-NH1 3.15Å; R302-Q304 PolarHBondContact O-N 3.39Å; R302-S307 WeakPolarHBondContact CB-OG 3.25Å; R302-S307 WeakPolarHBondContact CD-OG 3.25Å; R302-S307 WeakPolarHBondContact CG-OG 3.47Å
303P96.6Very high94.1Very high90 Ų9054.7 Ų54.758%0.58431%0.307SS*.  trans-51.5123.4173.4-29.336.1000112.1G305 T306 S307P303-G305 PolarHBondContact O-N 3.38Å; P303-T306 PolarHBondContact O-N 2.93Å; P303-T306 VanDerWaalsContact O-N 3.11Å; P303-S307 PolarHBondContact O-N 3.05Å; P303-S307 PolarHBondContact O-OG 2.93Å
304Q97Very high94.7Very high27 Ų2754.7 Ų54.713%0.12630%0.304CS..Hα-helixtrans-60-41.4-166.5-17663.2-1.300113.4V284 C288 R302 T306 S307 V308 D325V284-Q304 PolarHBondContact O-NE2 2.95Å; C288-Q304 HydrophobicContact CB-CB 4.02Å; C288-Q304 VanDerWaalsContact SG-CD 3.54Å; C288-Q304 PolarHBondContact SG-OE1 3.35Å; R302-Q304 PolarHBondContact O-N 3.39Å; Q304-T306 VanDerWaalsContact C-N 3.32Å; Q304-T306 PolarHBondContact O-N 3.41Å; Q304-S307 PolarHBondContact O-N 3.16Å; Q304-V308 HydrophobicContact CG-CG2 4.38Å; Q304-V308 WeakPolarHBondContact O-CG2 3.29Å; Q304-V308 PolarHBondContact O-N 3.08Å; Q304-D325 PolarHBondContact NE2-O 2.91Å
305G97.3Very high95.2Very high36 Ų3654.6 Ų54.637%0.37130%0.304SS..Hα-helixtrans-58.4-43.1177.400000112.6P303 Y309P303-G305 PolarHBondContact O-N 3.38Å; G305-Y309 VanDerWaalsContact O-CB 3.31Å; G305-Y309 WeakPolarHBondContact O-CB 3.43Å; G305-Y309 PolarHBondContact O-N 2.69Å
306T97.9Very high95.6Very high60 Ų6055.9 Ų55.937%0.36831%0.305SS..Hα-helixtrans-68-40.7176.8-57.60000112P303 Q304 K310P303-T306 PolarHBondContact O-N 2.93Å; P303-T306 VanDerWaalsContact O-N 3.11Å; Q304-T306 VanDerWaalsContact C-N 3.32Å; Q304-T306 PolarHBondContact O-N 3.41Å; T306-K310 HydrophobicContact CG2-CD 4.25Å; T306-K310 HydrophobicContact CG2-CG 4.37Å; T306-K310 WeakPolarHBondContact O-CB 3.17Å; T306-K310 WeakPolarHBondContact O-CG 3.12Å; T306-K310 PolarHBondContact O-N 2.73Å
307S98.4Very high96.2Very high0 Ų057 Ų570%030%0.302CS..Hα-helixtrans-60.3-50.6177-58.80000111.1R302 P303 Q304 V311R302-S307 WeakPolarHBondContact CB-OG 3.25Å; R302-S307 WeakPolarHBondContact CD-OG 3.25Å; R302-S307 WeakPolarHBondContact CG-OG 3.47Å; P303-S307 PolarHBondContact O-N 3.05Å; P303-S307 PolarHBondContact O-OG 2.93Å; Q304-S307 PolarHBondContact O-N 3.16Å; S307-V311 VanDerWaalsContact O-CB 3.29Å; S307-V311 WeakPolarHBondContact O-CB 3.32Å; S307-V311 WeakPolarHBondContact O-CG2 3.35Å; S307-V311 PolarHBondContact O-N 3.4Å
308V98.6Very high96.7Very high1 Ų157.7 Ų57.71%0.00630%0.301CS..Hα-helixtrans-59.1-51.7177.6170.60000110.6V284 Q304 K310 V311 A312 A324 L340 A342V284-V308 HydrophobicContact CG1-CG2 4.12Å; Q304-V308 HydrophobicContact CG-CG2 4.38Å; Q304-V308 WeakPolarHBondContact O-CG2 3.29Å; Q304-V308 PolarHBondContact O-N 3.08Å; V308-K310 PolarHBondContact O-N 3.3Å; V308-V311 PolarHBondContact O-N 3.28Å; V308-A312 WeakPolarHBondContact O-CB 3.38Å; V308-A312 PolarHBondContact O-N 2.91Å; V308-A324 HydrophobicContact CG2-CB 3.6Å; V308-L340 HydrophobicContact CG1-CB 4.27Å; V308-A342 HydrophobicContact CG1-CB 3.85Å
309Y98.5Very high97.1Very high84 Ų8456.1 Ų56.133%0.32931%0.306SS..Hα-helixtrans-55.4-54.5-179.4173.3-99.3000112.5G305 V311 A312 E313 L340 M443G305-Y309 VanDerWaalsContact O-CB 3.31Å; G305-Y309 WeakPolarHBondContact O-CB 3.43Å; G305-Y309 PolarHBondContact O-N 2.69Å; Y309-V311 PolarHBondContact O-N 3.32Å; Y309-A312 PolarHBondContact O-N 3.16Å; Y309-E313 WeakPolarHBondContact O-CB 3.21Å; Y309-E313 PolarHBondContact O-N 3.4Å; Y309-L340 WeakPolarHBondContact CA-O 3.31Å; Y309-L340 HydrophobicContact CD2-CD2 4.39Å; Y309-M443 HydrophobicContact CD2-SD 4.1Å; Y309-M443 HydrophobicContact CE2-SD 3.74Å
310K98.5Very high97.4Very high92 Ų9251.9 Ų51.940%0.427%0.27SS..Hα-helixtrans-69.6-35-175.9-68-164178.6-164.90112.9T306 V308 Y314T306-K310 HydrophobicContact CG2-CD 4.25Å; T306-K310 HydrophobicContact CG2-CG 4.37Å; T306-K310 WeakPolarHBondContact O-CB 3.17Å; T306-K310 WeakPolarHBondContact O-CG 3.12Å; T306-K310 PolarHBondContact O-N 2.73Å; V308-K310 PolarHBondContact O-N 3.3Å; K310-Y314 PolarHBondContact O-N 3.21Å
311V98.7Very high97.7Very high0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-73-41.6177.4175.10000110.6V265 A271 L282 V284 S307 V308 Y309 Y314 A315 V322V265-V311 HydrophobicContact CG2-CG1 4.34Å; A271-V311 HydrophobicContact CB-CG1 3.81Å; L282-V311 HydrophobicContact CD1-CG1 3.9Å; V284-V311 HydrophobicContact CG1-CB 4.42Å; V284-V311 HydrophobicContact CG1-CG2 4.33Å; V284-V311 HydrophobicContact CG2-CB 3.97Å; V284-V311 HydrophobicContact CG2-CG1 3.55Å; V284-V311 HydrophobicContact CG2-CG2 4.35Å; S307-V311 VanDerWaalsContact O-CB 3.29Å; S307-V311 WeakPolarHBondContact O-CB 3.32Å; S307-V311 WeakPolarHBondContact O-CG2 3.35Å; S307-V311 PolarHBondContact O-N 3.4Å; V308-V311 PolarHBondContact O-N 3.28Å; Y309-V311 PolarHBondContact O-N 3.32Å; V311-Y314 PolarHBondContact O-N 3.42Å; V311-A315 WeakPolarHBondContact O-CB 3.44Å; V311-A315 PolarHBondContact O-N 2.85Å; V311-V322 HydrophobicContact CG1-CG2 4.01Å
312A98.3Very high97.9Very high2 Ų248.2 Ų48.22%0.01724%0.24CC..Hα-helixtrans-64.3-43.3177.200000112.5V308 Y309 Y314 A315 R316 V322 G341V308-A312 WeakPolarHBondContact O-CB 3.38Å; V308-A312 PolarHBondContact O-N 2.91Å; Y309-A312 PolarHBondContact O-N 3.16Å; A312-Y314 PolarHBondContact O-N 3.44Å; A312-A315 PolarHBondContact O-N 3.47Å; A312-R316 WeakPolarHBondContact O-CB 3.4Å; A312-R316 PolarHBondContact O-N 3.42Å; A312-V322 HydrophobicContact CB-CB 4.41Å; A312-V322 HydrophobicContact CB-CG2 4.26Å; A312-G341 WeakPolarHBondContact CB-O 3.44Å
313E97.8Very high98Very high80 Ų8045.2 Ų45.237%0.37423%0.229SC..Hα-helixtrans-57.5-36.4175.5-177.8-176.4-125.500112.5Y309 R316Y309-E313 WeakPolarHBondContact O-CB 3.21Å; Y309-E313 PolarHBondContact O-N 3.4Å; E313-R316 VanDerWaalsContact O-CG 3.3Å; E313-R316 WeakPolarHBondContact O-CG 3.19Å; E313-R316 PolarHBondContact O-NE 3.46Å; E313-R316 VanDerWaalsContact O-NE 3.07Å
314Y98.4Very high98.1Very high42 Ų4241 Ų4117%0.16520%0.201CC..Hα-helixtrans-77.6-51.9175.6-175.9-95000112A268 A271 K272 I275 K310 V311 A312 R316 R317 F318A268-Y314 HydrophobicContact CB-CD2 4.29Å; A268-Y314 HydrophobicContact CB-CG 4.05Å; A271-Y314 HydrophobicContact CB-CD1 4.41Å; K272-Y314 HydrophobicContact CB-CE1 3.76Å; K272-Y314 WeakPolarHBondContact CB-OH 3.39Å; K272-Y314 WeakPolarHBondContact CD-OH 3.47Å; K272-Y314 HydrophobicContact CG-CE1 4.41Å; K272-Y314 WeakPolarHBondContact CG-OH 3.45Å; I275-Y314 HydrophobicContact CD1-CD1 4.26Å; I275-Y314 HydrophobicContact CD1-CE1 4.21Å; K310-Y314 PolarHBondContact O-N 3.21Å; V311-Y314 PolarHBondContact O-N 3.42Å; A312-Y314 PolarHBondContact O-N 3.44Å; Y314-R316 VanDerWaalsContact C-N 3.27Å; Y314-R316 PolarHBondContact O-N 2.99Å; Y314-R317 WeakPolarHBondContact O-CB 3.46Å; Y314-R317 WeakPolarHBondContact O-CG 3.47Å; Y314-R317 PolarHBondContact O-N 2.82Å; Y314-R317 VanDerWaalsContact O-N 3.11Å; Y314-F318 HydrophobicContact CD1-CE2 4.24Å; Y314-F318 HydrophobicContact CE1-CD2 4.24Å; Y314-F318 AromaticContact CE1-CE2 3.59Å; Y314-F318 HydrophobicContact CE1-CE2 3.59Å; Y314-F318 HydrophobicContact CE1-CZ 4.43Å; Y314-F318 HydrophobicContact CE2-CE2 4.3Å; Y314-F318 AromaticContact CZ-CE2 3.62Å
315A98.4Very high98.2Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-62-31.1-173.400000113.2I275 L282 V311 A312 R317 F318 G319 V320 V322I275-A315 HydrophobicContact CD1-CB 4.09Å; L282-A315 HydrophobicContact CD1-CB 4.06Å; V311-A315 WeakPolarHBondContact O-CB 3.44Å; V311-A315 PolarHBondContact O-N 2.85Å; A312-A315 PolarHBondContact O-N 3.47Å; A315-R317 PolarHBondContact O-N 2.79Å; A315-F318 PolarHBondContact O-N 3.05Å; A315-G319 PolarHBondContact O-N 2.89Å; A315-V320 HydrophobicContact CB-CB 4.3Å; A315-V320 WeakPolarHBondContact CB-O 3.33Å; A315-V320 PolarHBondContact O-N 2.86Å; A315-V322 HydrophobicContact CB-CG2 3.83Å
316R96.7Very high97.8Very high107 Ų10739.1 Ų39.140%0.40419%0.187SC..G310 helixtrans-58-29.6176.477.1-171.1174.3152.70.4113.1A312 E313 Y314 F318 G319 Y444A312-R316 WeakPolarHBondContact O-CB 3.4Å; A312-R316 PolarHBondContact O-N 3.42Å; E313-R316 VanDerWaalsContact O-CG 3.3Å; E313-R316 WeakPolarHBondContact O-CG 3.19Å; E313-R316 PolarHBondContact O-NE 3.46Å; E313-R316 VanDerWaalsContact O-NE 3.07Å; Y314-R316 VanDerWaalsContact C-N 3.27Å; Y314-R316 PolarHBondContact O-N 2.99Å; R316-F318 PolarHBondContact O-N 2.94Å; R316-F318 VanDerWaalsContact O-N 3.1Å; R316-G319 PolarHBondContact O-N 3.01Å; R316-G319 VanDerWaalsContact O-N 3.1Å; R316-Y444 HydrophobicContact CB-CE2 4.43Å
317R97.5Very high97.5Very high185 Ų18537.7 Ų37.770%0.69818%0.184SC*.G310 helixtrans-62-18.8178.2-62174.563.5179.7-0.4112.5Y314 A315Y314-R317 WeakPolarHBondContact O-CB 3.46Å; Y314-R317 WeakPolarHBondContact O-CG 3.47Å; Y314-R317 PolarHBondContact O-N 2.82Å; Y314-R317 VanDerWaalsContact O-N 3.11Å; A315-R317 PolarHBondContact O-N 2.79Å
318F98.2Very high97.3Very high76 Ų7638.4 Ų38.433%0.33319%0.187SC..G310 helixtrans-116.25-178.4-55.6-86.2000112.5I275 Y314 A315 R316 V320I275-F318 HydrophobicContact CD1-CD2 4.17Å; I275-F318 HydrophobicContact CG2-CB 3.98Å; I275-F318 HydrophobicContact CG2-CD1 4.14Å; I275-F318 HydrophobicContact CG2-CD2 4.24Å; I275-F318 HydrophobicContact CG2-CG 3.86Å; Y314-F318 HydrophobicContact CD1-CE2 4.24Å; Y314-F318 HydrophobicContact CE1-CD2 4.24Å; Y314-F318 AromaticContact CE1-CE2 3.59Å; Y314-F318 HydrophobicContact CE1-CE2 3.59Å; Y314-F318 HydrophobicContact CE1-CZ 4.43Å; Y314-F318 HydrophobicContact CE2-CE2 4.3Å; Y314-F318 AromaticContact CZ-CE2 3.62Å; A315-F318 PolarHBondContact O-N 3.05Å; R316-F318 PolarHBondContact O-N 2.94Å; R316-F318 VanDerWaalsContact O-N 3.1Å; F318-V320 HydrophobicContact CB-CG2 4.02Å; F318-V320 PolarHBondContact O-N 3.22Å
319G97.4Very high96.8Very high51 Ų5144.2 Ų44.253%0.52622%0.215SC..THydrogen-bonded Turntrans63.926-175.700000114A315 R316 P321A315-G319 PolarHBondContact O-N 2.89Å; R316-G319 PolarHBondContact O-N 3.01Å; R316-G319 VanDerWaalsContact O-N 3.1Å; G319-P321 WeakPolarHBondContact O-CD 3.22Å
320V98.6Very high96.5Very high6 Ų643.4 Ų43.44%0.03622%0.218CC..  trans-94117.2-178.41780000110.2I275 L282 A315 F318I275-V320 HydrophobicContact CD1-CB 4.29Å; I275-V320 HydrophobicContact CD1-CG2 4.32Å; I275-V320 HydrophobicContact CG1-CB 4.38Å; I275-V320 HydrophobicContact CG1-CG1 4.27Å; I275-V320 HydrophobicContact CG1-CG2 4.11Å; I275-V320 HydrophobicContact CG2-CG2 4.29Å; L282-V320 HydrophobicContact CD1-CG1 4.31Å; L282-V320 HydrophobicContact CG-CG1 4.05Å; A315-V320 HydrophobicContact CB-CB 4.3Å; A315-V320 WeakPolarHBondContact CB-O 3.33Å; A315-V320 PolarHBondContact O-N 2.86Å; F318-V320 HydrophobicContact CB-CG2 4.02Å; F318-V320 PolarHBondContact O-N 3.22Å
321P98.6Very high96.3Very high9 Ų939.8 Ų39.86%0.05820%0.204CC..  trans-63.5149.4175.9-25.537.9000113.1A15 D280 A281 L282 G319 S343A15-P321 HydrophobicContact CB-CB 4.42Å; A15-P321 HydrophobicContact CB-CG 3.85Å; D280-P321 WeakPolarHBondContact O-CD 3.48Å; A281-P321 WeakPolarHBondContact CA-O 3.3Å; A281-P321 HydrophobicContact CB-CB 4.43Å; L282-P321 PolarHBondContact N-O 3.29Å; G319-P321 WeakPolarHBondContact O-CD 3.22Å; P321-S343 WeakPolarHBondContact CA-OG 3.43Å; P321-S343 WeakPolarHBondContact CB-OG 3.49Å
322V98.8Very high96.2Very high2 Ų241.4 Ų41.41%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-115.3131.4178167.10000110.6L282 V284 V311 A312 A315 A342 S343 T344L282-V322 HydrophobicContact CB-CG2 4.41Å; V284-V322 HydrophobicContact CB-CG1 4.12Å; V284-V322 HydrophobicContact CG2-CG1 3.56Å; V311-V322 HydrophobicContact CG1-CG2 4.01Å; A312-V322 HydrophobicContact CB-CB 4.41Å; A312-V322 HydrophobicContact CB-CG2 4.26Å; A315-V322 HydrophobicContact CB-CG2 3.83Å; V322-A342 CarbonylContact O-C 3.6Å; V322-S343 PolarHBondContact N-OG 3.19Å; V322-S343 PolarHBondContact O-N 3.11Å; V322-T344 PolarHBondContact O-N 3.39Å
323I98.9Very high96.1Very high0 Ų044 Ų440%023%0.232CC..EExtended strand (participates in β ladder)trans-104.6119.2175.5-47.8-177.8000108.4L16 I27 I261 L282 V284 T344 M346L16-I323 HydrophobicContact CD1-CD1 3.75Å; I27-I323 HydrophobicContact CD1-CD1 3.94Å; I27-I323 HydrophobicContact CD1-CG1 4.39Å; I27-I323 HydrophobicContact CD1-CG2 3.79Å; I261-I323 HydrophobicContact CD1-CD1 3.73Å; I261-I323 HydrophobicContact CG1-CD1 4.4Å; I261-I323 HydrophobicContact CG2-CD1 3.84Å; L282-I323 PolarHBondContact O-N 3.33Å; V284-I323 PolarHBondContact N-O 3.44Å; I323-T344 WeakPolarHBondContact CA-O 3.23Å; I323-T344 WeakPolarHBondContact CG1-OG1 3.14Å; I323-M346 HydrophobicContact CG2-CB 3.85Å
324A98.6Very high96.1Very high0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-83.2114.9173.500000110.3V308 A337 A342 T344 V345 M346V308-A324 HydrophobicContact CG2-CB 3.6Å; A324-A337 HydrophobicContact CB-CB 3.95Å; A324-A342 HydrophobicContact CB-CB 3.92Å; A324-T344 PolarHBondContact N-O 2.9Å; A324-V345 HydrophobicContact CB-CG1 4.32Å; A324-V345 WeakPolarHBondContact O-CA 3.36Å; A324-M346 PolarHBondContact O-N 3.37Å
325D97.7Very high96.1Very high13 Ų1338.9 Ų38.97%0.0721%0.211CC..EExtended strand (participates in β ladder)trans-116.5125-176.8178.133.8000112N264 R283 V284 C288 Q304 M346N264-D325 PolarHBondContact ND2-OD2 3.46Å; N264-D325 VanDerWaalsContact ND2-OD2 3.1Å; R283-D325 HydrophobicContact CG-CB 3.97Å; R283-D325 IonicContact CZ-OD2 3.65Å; R283-D325 IonicContact NE-OD2 3.96Å; R283-D325 PolarHBondContact NE-OD2 3.43Å; R283-D325 IonicContact NH2-OD1 3.33Å; R283-D325 IonicContact NH2-OD2 3.32Å; R283-D325 PolarHBondContact NH2-OD2 2.8Å; V284-D325 PolarHBondContact O-N 3.39Å; C288-D325 PolarHBondContact SG-O 3.28Å; C288-D325 VanDerWaalsContact SG-O 3.41Å; Q304-D325 PolarHBondContact NE2-O 2.91Å; D325-M346 HydrophobicContact CB-CB 4.01Å; D325-M346 HydrophobicContact CB-SD 4.39Å
326G90.4Very high96.1Very high12 Ų1244.8 Ų44.812%0.12424%0.237CC..SBendtrans89.2159.9-179.200000114.6I328G326-I328 PolarHBondContact O-N 2.93Å
327G91.3Very high96.2Very high30 Ų3040.2 Ų40.231%0.30922%0.221SC..  trans74.8-2.8179.900000116.4C288 Q329 H333C288-G327 VanDerWaalsContact O-CA 3.27Å; C288-G327 WeakPolarHBondContact O-CA 3.48Å; C288-G327 PolarHBondContact O-N 2.99Å; G327-Q329 PolarHBondContact O-N 2.92Å; G327-H333 PolarHBondContact O-ND1 2.84Å
328I93.5Very high96.2Very high14 Ų1431.4 Ų31.47%0.07219%0.188CC..  trans-84.5110.9-179.4-52.8-57.5000110.4G326 H333 V334 A337 M347 L350G326-I328 PolarHBondContact O-N 2.93Å; I328-H333 HydrophobicContact CD1-CB 3.88Å; I328-H333 HydrophobicContact CG2-CB 4.2Å; I328-V334 HydrophobicContact CG2-CG2 3.49Å; I328-V334 VanDerWaalsContact CG2-CG2 3.49Å; I328-A337 HydrophobicContact CD1-CB 4.2Å; I328-M347 HydrophobicContact CG2-CG 4.36Å; I328-L350 HydrophobicContact CG2-CD2 4.35Å
329Q88.8Confident96.2Very high124 Ų12427.9 Ų27.958%0.57917%0.173SC*.  trans-114.9-23.9-178.7-65.4174.8-17.700112.9G327 H333 L350G327-Q329 PolarHBondContact O-N 2.92Å; Q329-H333 PolarHBondContact N-ND1 2.84Å; Q329-L350 VanDerWaalsContact O-CD1 3.25Å; Q329-L350 WeakPolarHBondContact O-CD1 3.22Å
330T91.6Very high96.2Very high66 Ų6627.1 Ų27.141%0.40516%0.157SC..SBendtrans-140.2162.9-174.365.70000110G332 H333 V334T330-G332 PolarHBondContact O-N 2.86Å; T330-G332 PolarHBondContact OG1-N 3.29Å; T330-H333 WeakPolarHBondContact O-CB 3.24Å; T330-H333 PolarHBondContact O-N 3.37Å; T330-H333 PolarHBondContact OG1-N 2.73Å; T330-V334 PolarHBondContact O-N 3.01Å
331V94.2Very high96.2Very high16 Ų1627 Ų2710%0.09716%0.156CC..Hα-helixtrans-53.6-38.8169.8177.50000111.1H333 V334 V335 Y419 L420 G423 I424V331-H333 VanDerWaalsContact C-N 3.26Å; V331-H333 PolarHBondContact O-N 2.74Å; V331-V334 WeakPolarHBondContact O-CA 3.46Å; V331-V334 VanDerWaalsContact O-CB 3.32Å; V331-V334 WeakPolarHBondContact O-CB 3.45Å; V331-V334 PolarHBondContact O-N 3.18Å; V331-V335 HydrophobicContact CG1-CG2 4.35Å; V331-V335 PolarHBondContact O-N 3.45Å; V331-Y419 HydrophobicContact CG2-CD1 4.41Å; V331-Y419 HydrophobicContact CG2-CE1 3.68Å; V331-L420 HydrophobicContact CG2-CD2 3.47Å; V331-L420 VanDerWaalsContact CG2-CD2 3.47Å; V331-G423 VanDerWaalsContact CG1-C 3.43Å; V331-I424 HydrophobicContact CG1-CG1 4.2Å
332G95.9Very high96.2Very high34 Ų3426.5 Ų26.535%0.35115%0.153SC..Hα-helixtrans-59.4-34.6177.400000113.1T330 K336T330-G332 PolarHBondContact O-N 2.86Å; T330-G332 PolarHBondContact OG1-N 3.29Å; G332-K336 WeakPolarHBondContact O-CB 3.36Å; G332-K336 WeakPolarHBondContact O-CG 3.29Å; G332-K336 PolarHBondContact O-N 3.44Å
333H97.4Very high96.2Very high57 Ų5727 Ų2726%0.26416%0.157SC..Hα-helixtrans-69.4-36.2173.9-66.7-177.2000111.8G327 I328 Q329 T330 V331 K336 A337G327-H333 PolarHBondContact O-ND1 2.84Å; I328-H333 HydrophobicContact CD1-CB 3.88Å; I328-H333 HydrophobicContact CG2-CB 4.2Å; Q329-H333 PolarHBondContact N-ND1 2.84Å; T330-H333 WeakPolarHBondContact O-CB 3.24Å; T330-H333 PolarHBondContact O-N 3.37Å; T330-H333 PolarHBondContact OG1-N 2.73Å; V331-H333 VanDerWaalsContact C-N 3.26Å; V331-H333 PolarHBondContact O-N 2.74Å; H333-K336 PolarHBondContact O-N 2.97Å; H333-A337 WeakPolarHBondContact O-CB 3.47Å; H333-A337 PolarHBondContact O-N 3.01Å
334V97.9Very high96.2Very high0 Ų027 Ų270%016%0.157CC..Hα-helixtrans-61.1-52.3173.9-179.90000110.4L26 I328 T330 V331 K336 A337 L338 V345 M347 I424L26-V334 HydrophobicContact CD2-CG1 4.3Å; I328-V334 HydrophobicContact CG2-CG2 3.49Å; I328-V334 VanDerWaalsContact CG2-CG2 3.49Å; T330-V334 PolarHBondContact O-N 3.01Å; V331-V334 WeakPolarHBondContact O-CA 3.46Å; V331-V334 VanDerWaalsContact O-CB 3.32Å; V331-V334 WeakPolarHBondContact O-CB 3.45Å; V331-V334 PolarHBondContact O-N 3.18Å; V334-K336 VanDerWaalsContact C-N 3.32Å; V334-K336 PolarHBondContact O-N 3.43Å; V334-A337 PolarHBondContact O-N 3.43Å; V334-L338 HydrophobicContact CG1-CD1 3.86Å; V334-L338 HydrophobicContact CG1-CG 4.38Å; V334-L338 WeakPolarHBondContact O-CG 3.48Å; V334-L338 PolarHBondContact O-N 3.2Å; V334-V345 HydrophobicContact CB-CG2 4.37Å; V334-V345 HydrophobicContact CG1-CB 4.49Å; V334-V345 HydrophobicContact CG1-CG1 4.06Å; V334-V345 HydrophobicContact CG1-CG2 3.62Å; V334-V345 HydrophobicContact CG2-CG2 4.07Å; V334-M347 HydrophobicContact CG2-SD 4.41Å; V334-I424 HydrophobicContact CB-CD1 4.44Å; V334-I424 HydrophobicContact CB-CG1 4.39Å; V334-I424 HydrophobicContact CG1-CD1 3.58Å; V334-I424 HydrophobicContact CG1-CG1 3.88Å
335V97.6Very high96.2Very high15 Ų1527 Ų279%0.09116%0.157CC..Hα-helixtrans-58.4-45.2179.5176.40000110.9V331 A337 L338 A339 I424 I431V331-V335 HydrophobicContact CG1-CG2 4.35Å; V331-V335 PolarHBondContact O-N 3.45Å; V335-A337 PolarHBondContact O-N 2.85Å; V335-L338 PolarHBondContact O-N 3.23Å; V335-A339 VanDerWaalsContact O-CB 3.25Å; V335-A339 WeakPolarHBondContact O-CB 3.27Å; V335-A339 PolarHBondContact O-N 3.05Å; V335-I424 HydrophobicContact CG2-CB 4.39Å; V335-I424 HydrophobicContact CG2-CG1 4.25Å; V335-I424 HydrophobicContact CG2-CG2 4.43Å; V335-I431 HydrophobicContact CG1-CD1 3.8Å
336K98.2Very high96.2Very high124 Ų12426.5 Ų26.554%0.53915%0.154SC..Hα-helixtrans-60.4-45.4176.1-73.6171.3-175.8178.40112.3G332 H333 V334 L338 A339 L340G332-K336 WeakPolarHBondContact O-CB 3.36Å; G332-K336 WeakPolarHBondContact O-CG 3.29Å; G332-K336 PolarHBondContact O-N 3.44Å; H333-K336 PolarHBondContact O-N 2.97Å; V334-K336 VanDerWaalsContact C-N 3.32Å; V334-K336 PolarHBondContact O-N 3.43Å; K336-L338 PolarHBondContact O-N 3.01Å; K336-A339 PolarHBondContact O-N 2.68Å; K336-L340 WeakPolarHBondContact O-CB 3.28Å; K336-L340 WeakPolarHBondContact O-CG 3.36Å; K336-L340 PolarHBondContact O-N 2.96Å
337A98.5Very high96.5Very high10 Ų1026 Ų268%0.08315%0.149CC..Hα-helixtrans-62.4-43.1179.600000112A324 I328 H333 V334 V335 L340 G341 A342 V345A324-A337 HydrophobicContact CB-CB 3.95Å; I328-A337 HydrophobicContact CD1-CB 4.2Å; H333-A337 WeakPolarHBondContact O-CB 3.47Å; H333-A337 PolarHBondContact O-N 3.01Å; V334-A337 PolarHBondContact O-N 3.43Å; V335-A337 PolarHBondContact O-N 2.85Å; A337-L340 PolarHBondContact O-N 3.1Å; A337-G341 PolarHBondContact O-N 3.35Å; A337-A342 VanDerWaalsContact O-CB 3.24Å; A337-A342 WeakPolarHBondContact O-CB 3.46Å; A337-A342 PolarHBondContact O-N 3.33Å; A337-A342 VanDerWaalsContact O-N 3.12Å; A337-V345 HydrophobicContact CB-CG1 3.85Å
338L98.3Very high96.5Very high0 Ų025.1 Ų25.10%014%0.139CC..Hα-helixtrans-65-42.9176.1-63.9172.3000111.6P25 V334 V335 K336 L340 G341 V345 I424 L436 L439P25-L338 HydrophobicContact CB-CD1 4.3Å; P25-L338 HydrophobicContact CB-CD2 3.93Å; P25-L338 HydrophobicContact CG-CD1 3.78Å; P25-L338 HydrophobicContact CG-CD2 4.33Å; V334-L338 HydrophobicContact CG1-CD1 3.86Å; V334-L338 HydrophobicContact CG1-CG 4.38Å; V334-L338 WeakPolarHBondContact O-CG 3.48Å; V334-L338 PolarHBondContact O-N 3.2Å; V335-L338 PolarHBondContact O-N 3.23Å; K336-L338 PolarHBondContact O-N 3.01Å; L338-L340 VanDerWaalsContact C-N 3.27Å; L338-L340 PolarHBondContact O-N 3.43Å; L338-G341 PolarHBondContact O-N 3.35Å; L338-G341 VanDerWaalsContact O-N 3.09Å; L338-V345 HydrophobicContact CD2-CG1 4.31Å; L338-V345 HydrophobicContact CG-CG1 4.38Å; L338-I424 HydrophobicContact CD1-CG2 4.11Å; L338-L436 HydrophobicContact CD1-CD1 4.4Å; L338-L436 HydrophobicContact CD1-CD2 4.02Å; L338-L439 HydrophobicContact CB-CD2 4.13Å
339A98.1Very high96.4Very high2 Ų225.5 Ų25.52%0.01714%0.143CC..Hα-helixtrans-64.2-31.6176.300000112.7V335 K336 G341 L439 M443 L448 F450V335-A339 VanDerWaalsContact O-CB 3.25Å; V335-A339 WeakPolarHBondContact O-CB 3.27Å; V335-A339 PolarHBondContact O-N 3.05Å; K336-A339 PolarHBondContact O-N 2.68Å; A339-G341 PolarHBondContact O-N 2.93Å; A339-L439 HydrophobicContact CB-CD1 4.09Å; A339-L439 HydrophobicContact CB-CD2 4.19Å; A339-L439 HydrophobicContact CB-CG 4.27Å; A339-M443 WeakPolarHBondContact O-CB 3.44Å; A339-M443 WeakPolarHBondContact O-CG 3.49Å; A339-L448 HydrophobicContact CB-CD2 4.13Å; A339-F450 HydrophobicContact CB-CE1 4.09Å; A339-F450 HydrophobicContact CB-CZ 3.9Å
340L98.4Very high96.4Very high36 Ų3620.2 Ų20.219%0.18812%0.119CC..THydrogen-bonded Turntrans-78.93.2175.1-70.5170.7000113.7V308 Y309 K336 A337 L338 M443 F450V308-L340 HydrophobicContact CG1-CB 4.27Å; Y309-L340 WeakPolarHBondContact CA-O 3.31Å; Y309-L340 HydrophobicContact CD2-CD2 4.39Å; K336-L340 WeakPolarHBondContact O-CB 3.28Å; K336-L340 WeakPolarHBondContact O-CG 3.36Å; K336-L340 PolarHBondContact O-N 2.96Å; A337-L340 PolarHBondContact O-N 3.1Å; L338-L340 VanDerWaalsContact C-N 3.27Å; L338-L340 PolarHBondContact O-N 3.43Å; L340-M443 WeakPolarHBondContact O-CE 3.48Å; L340-F450 HydrophobicContact CD2-CE1 4.13Å; L340-F450 HydrophobicContact CD2-CZ 4.12Å; L340-F450 HydrophobicContact CG-CE1 4.45Å
341G97.6Very high96.5Very high2 Ų217 Ų172%0.02110%0.1CC..THydrogen-bonded Turntrans110.5-2.6171.300000115.2A312 A337 L338 A339A312-G341 WeakPolarHBondContact CB-O 3.44Å; A337-G341 PolarHBondContact O-N 3.35Å; L338-G341 PolarHBondContact O-N 3.35Å; L338-G341 VanDerWaalsContact O-N 3.09Å; A339-G341 PolarHBondContact O-N 2.93Å
342A98.6Very high96.2Very high0 Ų016.3 Ų16.30%010%0.095CC..  trans-62.6141.6171.700000110.7V308 V322 A324 A337V308-A342 HydrophobicContact CG1-CB 3.85Å; V322-A342 CarbonylContact O-C 3.6Å; A324-A342 HydrophobicContact CB-CB 3.92Å; A337-A342 VanDerWaalsContact O-CB 3.24Å; A337-A342 WeakPolarHBondContact O-CB 3.46Å; A337-A342 PolarHBondContact O-N 3.33Å; A337-A342 VanDerWaalsContact O-N 3.12Å
343S98.4Very high95.7Very high13 Ų1314.8 Ų14.89%0.0918%0.079CC..SBendtrans-80.7-38.7170.6-56.50000111S14 A15 P321 V322S14-S343 VanDerWaalsContact CB-O 3.28Å; S14-S343 WeakPolarHBondContact CB-O 3.42Å; S14-S343 PolarHBondContact OG-O 3.45Å; A15-S343 WeakPolarHBondContact O-CB 3.3Å; P321-S343 WeakPolarHBondContact CA-OG 3.43Å; P321-S343 WeakPolarHBondContact CB-OG 3.49Å; V322-S343 PolarHBondContact N-OG 3.19Å; V322-S343 PolarHBondContact O-N 3.11Å
344T98.8Very high95.5Very high0 Ų012.1 Ų12.10%07%0.067CC..EExtended strand (participates in β ladder)trans-144.1166.1179.859.60000110.8L22 P25 I27 V322 I323 A324L22-T344 HydrophobicContact CD1-CG2 4.43Å; P25-T344 HydrophobicContact CB-CG2 4.31Å; P25-T344 WeakPolarHBondContact O-CA 3.41Å; I27-T344 HydrophobicContact CD1-CG2 4.34Å; I27-T344 VanDerWaalsContact CD1-OG1 3.22Å; I27-T344 WeakPolarHBondContact CD1-OG1 3.35Å; V322-T344 PolarHBondContact O-N 3.39Å; I323-T344 WeakPolarHBondContact CA-O 3.23Å; I323-T344 WeakPolarHBondContact CG1-OG1 3.14Å; A324-T344 PolarHBondContact N-O 2.9Å
345V98.6Very high95.2Very high0 Ų015.8 Ų15.80%09%0.09CC..EExtended strand (participates in β ladder)trans-120.5137.5175-59.20000110.6P25 L26 I27 A324 V334 A337 L338 M347P25-V345 WeakPolarHBondContact O-CG2 3.25Å; P25-V345 PolarHBondContact O-N 3.36Å; L26-V345 HydrophobicContact CD2-CG2 3.79Å; I27-V345 WeakPolarHBondContact CB-O 3.48Å; I27-V345 PolarHBondContact N-O 2.9Å; A324-V345 HydrophobicContact CB-CG1 4.32Å; A324-V345 WeakPolarHBondContact O-CA 3.36Å; V334-V345 HydrophobicContact CB-CG2 4.37Å; V334-V345 HydrophobicContact CG1-CB 4.49Å; V334-V345 HydrophobicContact CG1-CG1 4.06Å; V334-V345 HydrophobicContact CG1-CG2 3.62Å; V334-V345 HydrophobicContact CG2-CG2 4.07Å; A337-V345 HydrophobicContact CB-CG1 3.85Å; L338-V345 HydrophobicContact CD2-CG1 4.31Å; L338-V345 HydrophobicContact CG-CG1 4.38Å; V345-M347 HydrophobicContact CG2-CG 4.2Å; V345-M347 HydrophobicContact CG2-SD 4.19Å
346M98.5Very high95.1Very high1 Ų116.4 Ų16.41%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-103.8127.8173.9-176.4175.7-74.200109.8I27 P30 I51 R283 I323 A324 D325I27-M346 HydrophobicContact CB-CB 4.31Å; I27-M346 HydrophobicContact CB-CG 4.49Å; I27-M346 HydrophobicContact CG2-CE 3.73Å; I27-M346 HydrophobicContact CG2-CG 4.35Å; I27-M346 CarbonylContact O-C 3.57Å; I27-M346 WeakPolarHBondContact O-CA 3.41Å; P30-M346 VanDerWaalsContact CD-SD 3.55Å; I51-M346 HydrophobicContact CG1-CE 3.92Å; R283-M346 VanDerWaalsContact CZ-SD 3.55Å; R283-M346 PolarHBondContact NE-SD 3.26Å; R283-M346 VanDerWaalsContact NE-SD 3.37Å; I323-M346 HydrophobicContact CG2-CB 3.85Å; A324-M346 PolarHBondContact O-N 3.37Å; D325-M346 HydrophobicContact CB-CB 4.01Å; D325-M346 HydrophobicContact CB-SD 4.39Å
347M95.9Very high94.9Very high2 Ų210.7 Ų10.71%0.017%0.067CC..EExtended strand (participates in β ladder)trans-121.4122.5-168.7-58.5178.2-59.500110.2L26 I27 S29 M43 I328 V334 V345 L350 L351 L420L26-M347 HydrophobicContact CB-CE 3.8Å; L26-M347 HydrophobicContact CD1-CE 4.48Å; L26-M347 HydrophobicContact CD2-CE 3.76Å; L26-M347 HydrophobicContact CD2-SD 4.01Å; L26-M347 HydrophobicContact CG-CE 4.21Å; I27-M347 PolarHBondContact O-N 2.93Å; S29-M347 PolarHBondContact N-O 2.99Å; M43-M347 HydrophobicContact CE-CE 4.39Å; I328-M347 HydrophobicContact CG2-CG 4.36Å; V334-M347 HydrophobicContact CG2-SD 4.41Å; V345-M347 HydrophobicContact CG2-CG 4.2Å; V345-M347 HydrophobicContact CG2-SD 4.19Å; M347-L350 HydrophobicContact CB-CB 4.26Å; M347-L350 HydrophobicContact SD-CD2 3.66Å; M347-L351 HydrophobicContact CB-CD1 4.11Å; M347-L351 HydrophobicContact CB-CG 4.05Å; M347-L351 HydrophobicContact CE-CD1 3.9Å; M347-L351 HydrophobicContact CE-CD2 4.14Å; M347-L351 HydrophobicContact CE-CG 4.09Å; M347-L420 HydrophobicContact CE-CD1 4.08Å; M347-L420 HydrophobicContact SD-CD1 4.1Å
348G92.9Very high94.5Very high11 Ų1111 Ų1111%0.1137%0.068CC..SBendtrans-97.4-84.8171.600000110.4L350 L351 A352G348-L350 PolarHBondContact O-N 3.1Å; G348-L350 VanDerWaalsContact O-N 3.11Å; G348-L351 CarbonylContact O-C 3.46Å; G348-L351 PolarHBondContact O-N 3.05Å; G348-A352 PolarHBondContact O-N 2.61Å
349S89.8Confident93.9Very high22 Ų2213.4 Ų13.415%0.1549%0.093CC..THydrogen-bonded Turntrans-57.1-32.1-172.961.60000114.2S290 L351 A352 Y372 K410S290-S349 VanDerWaalsContact OG-CB 3.29Å; S290-S349 WeakPolarHBondContact OG-CB 3.28Å; S290-S349 PolarHBondContact OG-OG 2.73Å; S349-L351 VanDerWaalsContact C-N 3.25Å; S349-L351 PolarHBondContact O-N 3.02Å; S349-A352 PolarHBondContact O-N 3.33Å; S349-Y372 PolarHBondContact N-OH 2.66Å; S349-K410 PolarHBondContact O-NZ 2.98Å
350L89.3Confident93.2Very high13 Ų1321.2 Ų21.27%0.06813%0.129CC..THydrogen-bonded Turntrans-62.3-35.3178.6-159.263.7000112I328 Q329 M347 G348 K410 F416 L420I328-L350 HydrophobicContact CG2-CD2 4.35Å; Q329-L350 VanDerWaalsContact O-CD1 3.25Å; Q329-L350 WeakPolarHBondContact O-CD1 3.22Å; M347-L350 HydrophobicContact CB-CB 4.26Å; M347-L350 HydrophobicContact SD-CD2 3.66Å; G348-L350 PolarHBondContact O-N 3.1Å; G348-L350 VanDerWaalsContact O-N 3.11Å; L350-K410 WeakPolarHBondContact O-CD 3.23Å; L350-K410 PolarHBondContact O-NZ 3.35Å; L350-F416 HydrophobicContact CD1-CE1 4.36Å; L350-F416 HydrophobicContact CD1-CZ 3.87Å; L350-F416 HydrophobicContact CD2-CE1 4.42Å; L350-F416 HydrophobicContact CD2-CZ 4.38Å; L350-F416 HydrophobicContact CG-CE1 3.8Å; L350-F416 HydrophobicContact CG-CZ 3.78Å; L350-F416 VanDerWaalsContact O-CE1 3.29Å; L350-F416 WeakPolarHBondContact O-CE1 3.43Å; L350-L420 HydrophobicContact CD2-CD1 3.98Å; L350-L420 HydrophobicContact CD2-CD2 3.95Å
351L93.1Very high92.6Very high0 Ų021.5 Ų21.50%013%0.128CC..THydrogen-bonded Turntrans-100-12.6179.3-59.6-178.7000113.5V34 M39 M43 M347 G348 S349 T354 V413 F416V34-L351 HydrophobicContact CG1-CB 4.25Å; M39-L351 HydrophobicContact CE-CB 4.06Å; M39-L351 HydrophobicContact SD-CD1 4.34Å; M43-L351 HydrophobicContact CE-CD1 4.1Å; M43-L351 HydrophobicContact SD-CD1 3.82Å; M43-L351 HydrophobicContact SD-CD2 4.43Å; M347-L351 HydrophobicContact CB-CD1 4.11Å; M347-L351 HydrophobicContact CB-CG 4.05Å; M347-L351 HydrophobicContact CE-CD1 3.9Å; M347-L351 HydrophobicContact CE-CD2 4.14Å; M347-L351 HydrophobicContact CE-CG 4.09Å; G348-L351 CarbonylContact O-C 3.46Å; G348-L351 PolarHBondContact O-N 3.05Å; S349-L351 VanDerWaalsContact C-N 3.25Å; S349-L351 PolarHBondContact O-N 3.02Å; L351-T354 VanDerWaalsContact O-CG2 3.29Å; L351-T354 WeakPolarHBondContact O-CG2 3.28Å; L351-T354 PolarHBondContact O-OG1 3.07Å; L351-V413 HydrophobicContact CD2-CG1 3.82Å; L351-F416 HydrophobicContact CD2-CD1 4.27Å; L351-F416 HydrophobicContact CD2-CE1 4.32Å
352A89Confident92.2Very high0 Ų024.9 Ų24.90%014%0.142CC..THydrogen-bonded Turntrans-62.1153.2170.600000110.6V34 G348 S349 T354 Y372V34-A352 HydrophobicContact CG2-CB 4.35Å; G348-A352 PolarHBondContact O-N 2.61Å; S349-A352 PolarHBondContact O-N 3.33Å; A352-T354 PolarHBondContact O-N 3.37Å; A352-Y372 HydrophobicContact CB-CD1 4.41Å; A352-Y372 HydrophobicContact CB-CD2 3.41Å; A352-Y372 VanDerWaalsContact CB-CD2 3.41Å; A352-Y372 HydrophobicContact CB-CE2 3.65Å; A352-Y372 HydrophobicContact CB-CG 3.85Å
353A84.8Confident91.7Very high3 Ų331.8 Ų31.83%0.02517%0.173CC..THydrogen-bonded Turntrans59.922-177.300000115.4K370 V407 Q408 D409 K410A353-K370 HydrophobicContact CB-CB 3.91Å; A353-V407 HydrophobicContact CB-CB 3.77Å; A353-V407 HydrophobicContact CB-CG1 3.85Å; A353-V407 WeakPolarHBondContact CB-O 3.48Å; A353-Q408 WeakPolarHBondContact CB-O 3.39Å; A353-D409 WeakPolarHBondContact O-CA 3.27Å; A353-K410 PolarHBondContact O-N 3.14Å
354T92.7Very high91.1Very high0 Ų033.5 Ų33.50%019%0.185CC..BIsolated β-bridgetrans-82.9167.1163.660.20000110.7M39 L351 A352 E356 A357 K370 K410 G411 V413M39-T354 VanDerWaalsContact CE-OG1 3.25Å; M39-T354 WeakPolarHBondContact CE-OG1 3.46Å; L351-T354 VanDerWaalsContact O-CG2 3.29Å; L351-T354 WeakPolarHBondContact O-CG2 3.28Å; L351-T354 PolarHBondContact O-OG1 3.07Å; A352-T354 PolarHBondContact O-N 3.37Å; T354-E356 PolarHBondContact O-N 3.01Å; T354-A357 PolarHBondContact O-N 2.64Å; T354-A357 PolarHBondContact OG1-N 3.19Å; T354-K370 PolarHBondContact O-NZ 3.34Å; T354-K410 HydrophobicContact CG2-CB 4.14Å; T354-G411 CarbonylContact C-O 3.58Å; T354-G411 WeakPolarHBondContact CA-O 3.27Å; T354-G411 WeakPolarHBondContact CB-O 3.27Å; T354-V413 HydrophobicContact CG2-CG1 3.93Å
355T92.3Very high90.6Very high78 Ų7841 Ų4148%0.47923%0.225SC..THydrogen-bonded Turntrans-58.5-39.9178.5-54.60000111.8Y361 K370 G411T355-Y361 WeakPolarHBondContact CA-OH 3.44Å; T355-Y361 PolarHBondContact N-OH 3.38Å; T355-Y361 PolarHBondContact OG1-OH 3.49Å; T355-K370 PolarHBondContact O-NZ 3.01Å; T355-G411 PolarHBondContact N-O 3.48Å
356E94.6Very high90Very high28 Ų2844.4 Ų44.413%0.13126%0.261CS..THydrogen-bonded Turntrans-81.4-16.7-176.7-60.581.1174.600114M39 A42 T354 S412 V413M39-E356 HydrophobicContact CE-CB 4.48Å; A42-E356 HydrophobicContact CB-CG 4.05Å; T354-E356 PolarHBondContact O-N 3.01Å; E356-S412 WeakPolarHBondContact OE1-CB 3.15Å; E356-S412 PolarHBondContact OE1-OG 3.37Å; E356-S412 WeakPolarHBondContact OE2-CA 3Å; E356-V413 HydrophobicContact CB-CG2 3.95Å; E356-V413 HydrophobicContact CG-CG2 3.69Å; E356-V413 WeakPolarHBondContact OE2-CG2 3.45Å; E356-V413 PolarHBondContact OE2-N 3.26Å
357A94.6Very high89.4Confident3 Ų347 Ų473%0.02528%0.276CS..SBendtrans-66.3138.7173.900000110.2M39 T354 K370M39-A357 HydrophobicContact CE-CB 4.04Å; T354-A357 PolarHBondContact O-N 2.64Å; T354-A357 PolarHBondContact OG1-N 3.19Å; A357-K370 PolarHBondContact O-NZ 3.38Å
358P90.9Very high88.9Confident16 Ų1652 Ų5210%0.10430%0.295CS..SBendtrans-63.1155.1-17927.4-35.6000112.4D32 V34 E36D32-P358 WeakPolarHBondContact O-CG 3.43Å; V34-P358 VanDerWaalsContact C-CD 3.41Å; V34-P358 VanDerWaalsContact O-CD 3.27Å; V34-P358 WeakPolarHBondContact O-CD 3.39Å; E36-P358 HydrophobicContact CB-CB 4.48Å; E36-P358 HydrophobicContact CG-CB 4.01Å; E36-P358 HydrophobicContact CG-CG 4.14Å
359G85.8Confident88.7Confident51 Ų5152.6 Ų52.653%0.52630%0.295SS..SBendtrans97.1156.8-178.100000114K370G359-K370 WeakPolarHBondContact O-CE 3.49Å; G359-K370 PolarHBondContact O-NZ 2.99Å
360E83.3Confident88.7Confident166 Ų16651.9 Ų51.978%0.77629%0.29SS*.  trans-87.1151.4-176.8-66.3-55.8137.400112.6
361Y86Confident88.6Confident43 Ų4358.9 Ų58.917%0.16932%0.319CS..  trans-76.1144.7171.2-71.7-78.9000110.9T355 R368 L369 K370 D409T355-Y361 WeakPolarHBondContact CA-OH 3.44Å; T355-Y361 PolarHBondContact N-OH 3.38Å; T355-Y361 PolarHBondContact OG1-OH 3.49Å; Y361-R368 HydrophobicContact CD1-CG 3.7Å; Y361-R368 HydrophobicContact CE1-CG 4.39Å; Y361-R368 HydrophobicContact CG-CG 4.14Å; Y361-L369 WeakPolarHBondContact CA-O 3.49Å; Y361-K370 HydrophobicContact CD1-CD 4.2Å; Y361-K370 HydrophobicContact CD1-CG 3.51Å; Y361-K370 HydrophobicContact CE1-CD 3.99Å; Y361-K370 HydrophobicContact CE1-CG 3.68Å; Y361-K370 HydrophobicContact CG-CG 4.06Å; Y361-K370 VanDerWaalsContact CZ-CE 3.42Å; Y361-D409 HydrophobicContact CD1-CB 4.34Å; Y361-D409 HydrophobicContact CE1-CB 3.64Å; Y361-D409 WeakPolarHBondContact CE1-OD1 3.2Å; Y361-D409 PolarHBondContact OH-OD1 3.41Å
362F87.8Confident88.2Confident72 Ų7259.5 Ų59.532%0.31632%0.322SS..EExtended strand (participates in β ladder)trans-135.9164.6167.966.8-83.6000110.1L369 K371F362-L369 HydrophobicContact CE1-CB 4.1Å; F362-L369 HydrophobicContact CE2-CB 4.07Å; F362-L369 HydrophobicContact CE2-CD1 4Å; F362-L369 HydrophobicContact CZ-CB 3.86Å; F362-L369 HydrophobicContact CZ-CD1 4.26Å; F362-L369 PolarHBondContact N-O 2.89Å; F362-L369 PolarHBondContact O-N 3.46Å; F362-K371 HydrophobicContact CD1-CG 4.48Å; F362-K371 HydrophobicContact CE1-CG 3.7Å; F362-K371 HydrophobicContact CZ-CG 4.39Å
363F88.3Confident88.1Confident145 Ų14561 Ų6164%0.63633%0.328SS*.EExtended strand (participates in β ladder)trans-108.9137.2178.4-71-93.6000110.4V367 R368F363-V367 WeakPolarHBondContact CA-O 3.33Å; F363-R368 HydrophobicContact CD1-CB 4.13Å; F363-R368 HydrophobicContact CE1-CB 3.69Å; F363-R368 HydrophobicContact CE1-CG 4.07Å; F363-R368 HydrophobicContact CE2-CG 4.42Å; F363-R368 HydrophobicContact CZ-CB 4.1Å; F363-R368 HydrophobicContact CZ-CG 3.96Å
364S85.3Confident87.8Confident50 Ų5061.1 Ų61.135%0.3533%0.328SS..EExtended strand (participates in β ladder)trans-135.7128.3167.1-167.40000107.6G366 V367S364-G366 PolarHBondContact O-N 3.35Å; S364-G366 VanDerWaalsContact O-N 3.14Å; S364-V367 PolarHBondContact N-O 3.28Å; S364-V367 WeakPolarHBondContact O-CA 3.43Å; S364-V367 WeakPolarHBondContact O-CB 3.35Å; S364-V367 PolarHBondContact O-N 3.42Å
365D89.3Confident87.3Confident156 Ų15661.5 Ų61.583%0.83433%0.33SS*.THydrogen-bonded Turntrans51.938.2178.9-50.3-54.8000113.6V367D365-V367 PolarHBondContact O-N 3.32Å
366G85.7Confident86.5Confident73 Ų7357.8 Ų57.875%0.75331%0.307SS*.THydrogen-bonded Turntrans74.10-177.700000115S364S364-G366 PolarHBondContact O-N 3.35Å; S364-G366 VanDerWaalsContact O-N 3.14Å
367V85.9Confident85.7Confident55 Ų5556.6 Ų56.633%0.33330%0.302SS..EExtended strand (participates in β ladder)trans-96.4130.8177.8-171.90000110.2F363 S364 D365 L369 Q408F363-V367 WeakPolarHBondContact CA-O 3.33Å; S364-V367 PolarHBondContact N-O 3.28Å; S364-V367 WeakPolarHBondContact O-CA 3.43Å; S364-V367 WeakPolarHBondContact O-CB 3.35Å; S364-V367 PolarHBondContact O-N 3.42Å; D365-V367 PolarHBondContact O-N 3.32Å; V367-L369 HydrophobicContact CB-CD2 4.3Å; V367-L369 HydrophobicContact CG1-CD2 3.67Å; V367-L369 HydrophobicContact CG1-CG 4.36Å; V367-Q408 HydrophobicContact CG1-CG 3.79Å
368R85Confident85Confident108 Ų10860.1 Ų60.141%0.40832%0.32SS..EExtended strand (participates in β ladder)trans-79.5123.3173.8-166.7-177.2-175.7-177.27.9110.6Y361 F363 D409Y361-R368 HydrophobicContact CD1-CG 3.7Å; Y361-R368 HydrophobicContact CE1-CG 4.39Å; Y361-R368 HydrophobicContact CG-CG 4.14Å; F363-R368 HydrophobicContact CD1-CB 4.13Å; F363-R368 HydrophobicContact CE1-CB 3.69Å; F363-R368 HydrophobicContact CE1-CG 4.07Å; F363-R368 HydrophobicContact CE2-CG 4.42Å; F363-R368 HydrophobicContact CZ-CB 4.1Å; F363-R368 HydrophobicContact CZ-CG 3.96Å; R368-D409 HydrophobicContact CB-CB 4.33Å; R368-D409 HydrophobicContact CG-CB 4.33Å; R368-D409 IonicContact NH1-OD2 3.1Å; R368-D409 PolarHBondContact O-N 3.24Å
369L89.4Confident84.3Confident22 Ų2263 Ų6312%0.11534%0.335CS..EExtended strand (participates in β ladder)trans-129.8158.1-172.5-55177.3000111.7Y361 F362 V367 V407 Q408Y361-L369 WeakPolarHBondContact CA-O 3.49Å; F362-L369 HydrophobicContact CE1-CB 4.1Å; F362-L369 HydrophobicContact CE2-CB 4.07Å; F362-L369 HydrophobicContact CE2-CD1 4Å; F362-L369 HydrophobicContact CZ-CB 3.86Å; F362-L369 HydrophobicContact CZ-CD1 4.26Å; F362-L369 PolarHBondContact N-O 2.89Å; F362-L369 PolarHBondContact O-N 3.46Å; V367-L369 HydrophobicContact CB-CD2 4.3Å; V367-L369 HydrophobicContact CG1-CD2 3.67Å; V367-L369 HydrophobicContact CG1-CG 4.36Å; L369-V407 WeakPolarHBondContact CA-O 3.34Å; L369-Q408 HydrophobicContact CD2-CB 4.12Å
370K89.6Confident83.8Confident8 Ų860.6 Ų60.64%0.03531%0.31CS..EExtended strand (participates in β ladder)trans-122.4153.8161.2-77.4-167.8173.1174.60110.6A353 T354 T355 A357 G359 Y361 S406 V407A353-K370 HydrophobicContact CB-CB 3.91Å; T354-K370 PolarHBondContact O-NZ 3.34Å; T355-K370 PolarHBondContact O-NZ 3.01Å; A357-K370 PolarHBondContact O-NZ 3.38Å; G359-K370 WeakPolarHBondContact O-CE 3.49Å; G359-K370 PolarHBondContact O-NZ 2.99Å; Y361-K370 HydrophobicContact CD1-CD 4.2Å; Y361-K370 HydrophobicContact CD1-CG 3.51Å; Y361-K370 HydrophobicContact CE1-CD 3.99Å; Y361-K370 HydrophobicContact CE1-CG 3.68Å; Y361-K370 HydrophobicContact CG-CG 4.06Å; Y361-K370 VanDerWaalsContact CZ-CE 3.42Å; K370-S406 CarbonylContact O-C 3.53Å; K370-S406 VanDerWaalsContact O-CA 3.27Å; K370-S406 WeakPolarHBondContact O-CA 3.12Å; K370-V407 PolarHBondContact N-O 3.18Å; K370-V407 PolarHBondContact O-N 3.29Å
371K87.2Confident83.5Confident159 Ų15952.7 Ų52.769%0.69127%0.273SS*.EExtended strand (participates in β ladder)trans-71.2139.3173.3-67-172.2178.9-179.90110F362F362-K371 HydrophobicContact CD1-CG 4.48Å; F362-K371 HydrophobicContact CE1-CG 3.7Å; F362-K371 HydrophobicContact CZ-CG 4.39Å
372Y85.6Confident83Confident13 Ų1356.9 Ų56.95%0.05129%0.294CS..EExtended strand (participates in β ladder)trans-137.6125.2176-177.6-127.9000109.3M31 T33 V34 I291 S349 A352 G405 V407M31-Y372 HydrophobicContact CE-CD2 4.35Å; M31-Y372 HydrophobicContact CE-CE2 3.46Å; M31-Y372 VanDerWaalsContact CE-CE2 3.46Å; M31-Y372 HydrophobicContact SD-CE2 4.25Å; T33-Y372 WeakPolarHBondContact OG1-CD2 3.49Å; V34-Y372 HydrophobicContact CG2-CD2 4.37Å; V34-Y372 HydrophobicContact CG2-CE2 3.71Å; I291-Y372 HydrophobicContact CD1-CD1 4.17Å; I291-Y372 HydrophobicContact CD1-CE1 3.55Å; I291-Y372 HydrophobicContact CD1-CE2 4.05Å; I291-Y372 VanDerWaalsContact CD1-CZ 3.46Å; I291-Y372 HydrophobicContact CG1-CE1 4.44Å; I291-Y372 HydrophobicContact CG2-CD1 3.74Å; I291-Y372 HydrophobicContact CG2-CE1 3.55Å; S349-Y372 PolarHBondContact N-OH 2.66Å; A352-Y372 HydrophobicContact CB-CD1 4.41Å; A352-Y372 HydrophobicContact CB-CD2 3.41Å; A352-Y372 VanDerWaalsContact CB-CD2 3.41Å; A352-Y372 HydrophobicContact CB-CE2 3.65Å; A352-Y372 HydrophobicContact CB-CG 3.85Å; Y372-G405 PolarHBondContact N-O 3.2Å; Y372-G405 CarbonylContact O-C 3.58Å; Y372-G405 PolarHBondContact O-N 2.9Å; Y372-G405 VanDerWaalsContact O-O 3.05Å; Y372-V407 HydrophobicContact CD1-CG2 3.82Å; Y372-V407 HydrophobicContact CG-CG2 4.02Å
373R85.4Confident81.8Confident33 Ų3360.3 Ų60.313%0.12531%0.309CS..EExtended strand (participates in β ladder)trans-139.6145.4-174.268-176.2179.5171.65112.7M31 D32 T33 I291 D379 S404M31-R373 WeakPolarHBondContact CE-O 3.27Å; D32-R373 IonicContact OD1-NE 3.19Å; D32-R373 PolarHBondContact OD1-NE 3.39Å; D32-R373 IonicContact OD2-CZ 3.95Å; D32-R373 VanDerWaalsContact OD2-CZ 3.32Å; D32-R373 IonicContact OD2-NE 3.89Å; D32-R373 PolarHBondContact OD2-NE 3.21Å; D32-R373 IonicContact OD2-NH2 3.69Å; D32-R373 PolarHBondContact OD2-NH2 3.43Å; T33-R373 HydrophobicContact CG2-CG 3.91Å; T33-R373 PolarHBondContact OG1-N 2.96Å; I291-R373 VanDerWaalsContact CD1-C 3.42Å; R373-D379 PolarHBondContact NH1-O 3.29Å; R373-S404 WeakPolarHBondContact CB-OG 3.35Å
374G78.5Confident80.3Confident4 Ų457.1 Ų57.14%0.04130%0.299CS..  trans-75144.317500000110.9G376 S377 A380 V403G374-G376 PolarHBondContact O-N 2.87Å; G374-S377 WeakPolarHBondContact O-CB 3.44Å; G374-S377 PolarHBondContact O-N 2.65Å; G374-S377 PolarHBondContact O-OG 3.4Å; G374-S377 VanDerWaalsContact O-OG 3.11Å; G374-A380 VanDerWaalsContact O-CB 3.24Å; G374-A380 WeakPolarHBondContact O-CB 3.41Å; G374-V403 PolarHBondContact N-O 2.8Å
375M83.4Confident79.4Confident8 Ų859.5 Ų59.54%0.03931%0.307CS..THydrogen-bonded Turntrans-60.5-19.9175.2-60.2-46.9-53.500112.5M31 N55 A380 S386 Y390M31-M375 HydrophobicContact CB-SD 4.14Å; M31-M375 HydrophobicContact CG-CG 4.17Å; M31-M375 HydrophobicContact CG-SD 4.29Å; N55-M375 HydrophobicContact CB-CE 3.53Å; M375-A380 HydrophobicContact CE-CB 4.38Å; M375-S386 WeakPolarHBondContact O-CB 3.49Å; M375-S386 PolarHBondContact O-OG 3.41Å; M375-Y390 HydrophobicContact CB-CE2 4.18Å; M375-Y390 VanDerWaalsContact O-CE2 3.27Å; M375-Y390 WeakPolarHBondContact O-CE2 3.3Å
376G75.1Confident78.7Confident0 Ų052.1 Ų52.10%027%0.268CS..THydrogen-bonded Turntrans-95.18.4175.600000114.6G374 M381 Y390 Q401 G402G374-G376 PolarHBondContact O-N 2.87Å; G376-M381 WeakPolarHBondContact O-CE 3.28Å; G376-Y390 WeakPolarHBondContact CA-OH 3.47Å; G376-Y390 VanDerWaalsContact N-CE2 3.26Å; G376-Y390 VanDerWaalsContact N-CZ 3.29Å; G376-Y390 PolarHBondContact N-OH 3.44Å; G376-Q401 PolarHBondContact O-N 3.13Å; G376-G402 PolarHBondContact O-N 3.38Å
377S78.4Confident78.3Confident3 Ų350.4 Ų50.42%0.02124%0.24CC..SBendtrans-78.1153.6171.181.30000110.8G374 D379 A380 M381 G402 S404G374-S377 WeakPolarHBondContact O-CB 3.44Å; G374-S377 PolarHBondContact O-N 2.65Å; G374-S377 PolarHBondContact O-OG 3.4Å; G374-S377 VanDerWaalsContact O-OG 3.11Å; S377-D379 VanDerWaalsContact C-N 3.25Å; S377-D379 PolarHBondContact O-N 3.47Å; S377-A380 PolarHBondContact O-N 3.37Å; S377-A380 VanDerWaalsContact O-N 3.11Å; S377-A380 PolarHBondContact OG-N 3.31Å; S377-M381 WeakPolarHBondContact O-CB 3.4Å; S377-M381 WeakPolarHBondContact O-CG 3.39Å; S377-M381 PolarHBondContact O-N 3.04Å; S377-G402 VanDerWaalsContact CA-O 3.28Å; S377-G402 WeakPolarHBondContact CA-O 3.3Å; S377-G402 WeakPolarHBondContact CB-O 3.45Å; S377-S404 PolarHBondContact OG-OG 3.4Å
378L78.3Confident78Confident77 Ų7749.7 Ų49.740%0.40323%0.233SC..Hα-helixtrans-55.5-43.7177.8-67170.6000111.1A380 M381 E382 K398 A400L378-A380 VanDerWaalsContact C-N 3.27Å; L378-A380 PolarHBondContact O-N 3.04Å; L378-M381 HydrophobicContact CD2-CE 3.89Å; L378-M381 HydrophobicContact CG-CE 4.47Å; L378-M381 PolarHBondContact O-N 3.3Å; L378-M381 VanDerWaalsContact O-N 3.08Å; L378-E382 WeakPolarHBondContact O-CB 3.49Å; L378-E382 WeakPolarHBondContact O-CG 3.49Å; L378-E382 PolarHBondContact O-N 3.25Å; L378-K398 HydrophobicContact CD2-CB 4.06Å; L378-A400 HydrophobicContact CD2-CB 4.47Å; L378-A400 HydrophobicContact CG-CB 4.15Å
379D76.8Confident77.8Confident77 Ų7745.9 Ų45.941%0.41222%0.218SC..Hα-helixtrans-58.2-36.8178.4-60.2-18.3000113.6R373 S377 K383 S404R373-D379 PolarHBondContact NH1-O 3.29Å; S377-D379 VanDerWaalsContact C-N 3.25Å; S377-D379 PolarHBondContact O-N 3.47Å; D379-K383 WeakPolarHBondContact O-CG 3.4Å; D379-S404 WeakPolarHBondContact OD2-CB 3.46Å; D379-S404 PolarHBondContact OD2-OG 3.11Å
380A74.6Confident77.3Confident0 Ų045.8 Ų45.80%022%0.217CC..Hα-helixtrans-77.3-37.817800000110.9G374 M375 S377 L378 S386G374-A380 VanDerWaalsContact O-CB 3.24Å; G374-A380 WeakPolarHBondContact O-CB 3.41Å; M375-A380 HydrophobicContact CE-CB 4.38Å; S377-A380 PolarHBondContact O-N 3.37Å; S377-A380 VanDerWaalsContact O-N 3.11Å; S377-A380 PolarHBondContact OG-N 3.31Å; L378-A380 VanDerWaalsContact C-N 3.27Å; L378-A380 PolarHBondContact O-N 3.04Å; A380-S386 PolarHBondContact O-OG 2.81Å
381M77.8Confident76.5Confident1 Ų149.1 Ų49.11%0.00523%0.231CC..Hα-helixtrans-70.1-34-179.8-73.8-169.8-66.300112.9G376 S377 L378 S386 Q387 A400G376-M381 WeakPolarHBondContact O-CE 3.28Å; S377-M381 WeakPolarHBondContact O-CB 3.4Å; S377-M381 WeakPolarHBondContact O-CG 3.39Å; S377-M381 PolarHBondContact O-N 3.04Å; L378-M381 HydrophobicContact CD2-CE 3.89Å; L378-M381 HydrophobicContact CG-CE 4.47Å; L378-M381 PolarHBondContact O-N 3.3Å; L378-M381 VanDerWaalsContact O-N 3.08Å; M381-S386 WeakPolarHBondContact CA-OG 3.39Å; M381-S386 PolarHBondContact N-OG 3.09Å; M381-S386 VanDerWaalsContact N-OG 3.12Å; M381-Q387 HydrophobicContact CB-CG 3.71Å; M381-Q387 HydrophobicContact CG-CG 4.04Å; M381-Q387 WeakPolarHBondContact O-CG 3.18Å; M381-Q387 PolarHBondContact O-NE2 3.12Å; M381-Q387 HydrophobicContact SD-CG 4.44Å; M381-A400 HydrophobicContact CE-CB 4.47Å
382E75.6Confident75.6Confident131 Ų13142.1 Ų42.161%0.61220%0.202SC*.Hα-helixtrans-79-30.9-179.9-72.6178.5176.600113.4L378L378-E382 WeakPolarHBondContact O-CB 3.49Å; L378-E382 WeakPolarHBondContact O-CG 3.49Å; L378-E382 PolarHBondContact O-N 3.25Å
383K62.8Low74.7Confident144 Ų14445.3 Ų45.363%0.62622%0.217SC*.Hα-helixtrans-79.8-44.8-171.4-76.4-168.7-179.4179.60115D379D379-K383 WeakPolarHBondContact O-CG 3.4Å
384N57.4Low73.6Confident78 Ų7847.4 Ų47.442%0.41725%0.249SC..Hα-helixtrans-156.440-163.3-74.1-47.3000116.8N55N55-N384 HydrophobicContact CB-CB 4.41Å; N55-N384 VanDerWaalsContact O-CB 3.27Å; N55-N384 WeakPolarHBondContact O-CB 3.32Å; N55-N384 WeakPolarHBondContact OD1-CB 3.22Å; N55-N384 PolarHBondContact OD1-O 2.95Å
385N66Low73.3Confident100 Ų10051 Ų5154%0.53527%0.268SS..SBendtrans78.813.5171.7-57.2-31.3000118.5Q387 K388N385-Q387 PolarHBondContact O-N 3.33Å; N385-K388 WeakPolarHBondContact O-CG 3.47Å; N385-K388 PolarHBondContact O-N 3.15Å
386S74.8Confident72.5Confident1 Ų160.8 Ų60.81%0.00731%0.31CS..G310 helixtrans-62.3-12.6173.164.10000114.8N55 M375 A380 M381 K388 R389 Y390N55-S386 PolarHBondContact OD1-N 3.07Å; N55-S386 VanDerWaalsContact OD1-N 3.17Å; M375-S386 WeakPolarHBondContact O-CB 3.49Å; M375-S386 PolarHBondContact O-OG 3.41Å; A380-S386 PolarHBondContact O-OG 2.81Å; M381-S386 WeakPolarHBondContact CA-OG 3.39Å; M381-S386 PolarHBondContact N-OG 3.09Å; M381-S386 VanDerWaalsContact N-OG 3.12Å; S386-K388 PolarHBondContact O-N 2.8Å; S386-R389 VanDerWaalsContact O-CB 3.25Å; S386-R389 WeakPolarHBondContact O-CB 3.4Å; S386-R389 PolarHBondContact O-N 3.22Å; S386-R389 VanDerWaalsContact O-N 3.13Å; S386-Y390 WeakPolarHBondContact O-CD2 3.33Å
387Q77.5Confident72.4Confident37 Ų3766.3 Ų66.317%0.17334%0.343CS..G310 helixtrans-53.4-35.6173.3-65.217118.100113.1M381 N385 R389 Y390 F391 S392M381-Q387 HydrophobicContact CB-CG 3.71Å; M381-Q387 HydrophobicContact CG-CG 4.04Å; M381-Q387 WeakPolarHBondContact O-CG 3.18Å; M381-Q387 PolarHBondContact O-NE2 3.12Å; M381-Q387 HydrophobicContact SD-CG 4.44Å; N385-Q387 PolarHBondContact O-N 3.33Å; Q387-R389 PolarHBondContact O-N 3.05Å; Q387-Y390 PolarHBondContact O-N 3.1Å; Q387-F391 PolarHBondContact O-N 3.33Å; Q387-S392 PolarHBondContact O-N 3.18Å
388K78.3Confident72.3Confident40 Ų4069.6 Ų69.617%0.17436%0.358CS..G310 helixtrans-57.8-36.2-179.4-54.4-156159.6-177.70112.5R214 D216 N385 S386 Y390 F391 E393R214-K388 HydrophobicContact CG-CD 4.02Å; D216-K388 IonicContact OD1-NZ 3.51Å; D216-K388 PolarHBondContact OD1-NZ 3.38Å; D216-K388 IonicContact OD2-NZ 2.89Å; D216-K388 PolarHBondContact OD2-NZ 3.23Å; N385-K388 WeakPolarHBondContact O-CG 3.47Å; N385-K388 PolarHBondContact O-N 3.15Å; S386-K388 PolarHBondContact O-N 2.8Å; K388-Y390 PolarHBondContact O-N 2.91Å; K388-F391 PolarHBondContact O-N 3.14Å; K388-E393 WeakPolarHBondContact CA-OE1 3.49Å; K388-E393 HydrophobicContact CB-CG 4.33Å; K388-E393 WeakPolarHBondContact CB-OE1 3.35Å; K388-E393 WeakPolarHBondContact CE-OE2 3.4Å; K388-E393 VanDerWaalsContact CG-CD 3.41Å; K388-E393 HydrophobicContact CG-CG 3.9Å; K388-E393 WeakPolarHBondContact CG-OE1 3.22Å
389R81.9Confident72.3Confident28 Ų2868.8 Ų68.811%0.10636%0.356CS..G310 helixtrans-62.8-27.5178.1-177176.7173.2169.6-3.8112.8D235 S237 S386 Q387D235-R389 IonicContact OD1-CZ 3.51Å; D235-R389 IonicContact OD1-NE 2.71Å; D235-R389 PolarHBondContact OD1-NE 2.62Å; D235-R389 IonicContact OD1-NH1 2.7Å; D235-R389 PolarHBondContact OD1-NH1 3.11Å; D235-R389 IonicContact OD1-NH2 3.23Å; D235-R389 PolarHBondContact OD1-NH2 2.87Å; D235-R389 WeakPolarHBondContact OD2-CD 3.35Å; D235-R389 IonicContact OD2-CZ 2.86Å; D235-R389 VanDerWaalsContact OD2-CZ 3.23Å; D235-R389 IonicContact OD2-NE 2.62Å; D235-R389 IonicContact OD2-NH1 3.37Å; D235-R389 PolarHBondContact OD2-NH1 3.27Å; S237-R389 PolarHBondContact N-O 3.03Å; S237-R389 PolarHBondContact OG-O 2.78Å; S386-R389 VanDerWaalsContact O-CB 3.25Å; S386-R389 WeakPolarHBondContact O-CB 3.4Å; S386-R389 PolarHBondContact O-N 3.22Å; S386-R389 VanDerWaalsContact O-N 3.13Å; Q387-R389 PolarHBondContact O-N 3.05Å
390Y78.1Confident72.5Confident19 Ų1966.4 Ų66.48%0.07535%0.347CS..G310 helixtrans-107.56-174.9-63.5-80.1000113.7M375 G376 S386 Q387 K388 S392 Q401M375-Y390 HydrophobicContact CB-CE2 4.18Å; M375-Y390 VanDerWaalsContact O-CE2 3.27Å; M375-Y390 WeakPolarHBondContact O-CE2 3.3Å; G376-Y390 WeakPolarHBondContact CA-OH 3.47Å; G376-Y390 VanDerWaalsContact N-CE2 3.26Å; G376-Y390 VanDerWaalsContact N-CZ 3.29Å; G376-Y390 PolarHBondContact N-OH 3.44Å; S386-Y390 WeakPolarHBondContact O-CD2 3.33Å; Q387-Y390 PolarHBondContact O-N 3.1Å; K388-Y390 PolarHBondContact O-N 2.91Å; Y390-S392 PolarHBondContact O-N 2.69Å; Y390-Q401 HydrophobicContact CD1-CB 3.88Å; Y390-Q401 VanDerWaalsContact CD1-CD 3.44Å; Y390-Q401 HydrophobicContact CD1-CG 4.09Å; Y390-Q401 HydrophobicContact CE1-CB 3.76Å; Y390-Q401 HydrophobicContact CE1-CG 4.44Å
391F74Confident72.9Confident79 Ų7967 Ų6735%0.34635%0.35SS..THydrogen-bonded Turntrans6024.9-179.4-53.1-90.9000114.1Y243 Q387 K388Y243-F391 HydrophobicContact CD2-CE1 4.3Å; Q387-F391 PolarHBondContact O-N 3.33Å; K388-F391 PolarHBondContact O-N 3.14Å
392S67.6Low73Confident11 Ų1167.2 Ų67.28%0.07735%0.352CS..  trans-105.728.2-178.7-62.10000113.2Q387 Y390 G394 D395Q387-S392 PolarHBondContact O-N 3.18Å; Y390-S392 PolarHBondContact O-N 2.69Å; S392-G394 PolarHBondContact O-N 2.71Å; S392-D395 VanDerWaalsContact CA-OD2 3.25Å; S392-D395 WeakPolarHBondContact CA-OD2 3.1Å; S392-D395 VanDerWaalsContact CB-OD2 3.31Å; S392-D395 WeakPolarHBondContact CB-OD2 3.5Å; S392-D395 PolarHBondContact OG-OD2 2.73Å
393E66.7Low73.3Confident80 Ų8064 Ų6437%0.37434%0.341SS..THydrogen-bonded Turntrans-70.2116.7175.1-63.4174.7-129.600109.1R214 K388R214-E393 IonicContact CZ-OE1 3.61Å; R214-E393 IonicContact NE-OE1 3.15Å; R214-E393 PolarHBondContact NE-OE1 3.29Å; R214-E393 VanDerWaalsContact NE-OE1 3.15Å; R214-E393 IonicContact NH2-OE1 2.72Å; K388-E393 WeakPolarHBondContact CA-OE1 3.49Å; K388-E393 HydrophobicContact CB-CG 4.33Å; K388-E393 WeakPolarHBondContact CB-OE1 3.35Å; K388-E393 WeakPolarHBondContact CE-OE2 3.4Å; K388-E393 VanDerWaalsContact CG-CD 3.41Å; K388-E393 HydrophobicContact CG-CG 3.9Å; K388-E393 WeakPolarHBondContact CG-OE1 3.22Å
394G63.2Low74.4Confident77 Ų7759.6 Ų59.679%0.79433%0.328SS*.THydrogen-bonded Turntrans91.7-0.6176.600000115.9S392S392-G394 PolarHBondContact O-N 2.71Å
395D70.5Confident75.7Confident80 Ų8058 Ų5843%0.42833%0.329SS..  trans-68.5132.9176.7-69.4-20.7000111.7S392 V397S392-D395 VanDerWaalsContact CA-OD2 3.25Å; S392-D395 WeakPolarHBondContact CA-OD2 3.1Å; S392-D395 VanDerWaalsContact CB-OD2 3.31Å; S392-D395 WeakPolarHBondContact CB-OD2 3.5Å; S392-D395 PolarHBondContact OG-OD2 2.73Å; D395-V397 VanDerWaalsContact C-N 3.31Å; D395-V397 PolarHBondContact O-N 2.88Å
396K66.8Low76.7Confident214 Ų21456.3 Ų56.393%0.9333%0.326SS*.SBendtrans-66.4-33.1174.1-70.9-174.6180-179.80112.5
397V73.9Confident77.2Confident115 Ų11557.8 Ų57.870%0.69734%0.335SS*.SBendtrans-119.3116.9177.8179.90000107.8D395D395-V397 VanDerWaalsContact C-N 3.31Å; D395-V397 PolarHBondContact O-N 2.88Å
398K75.7Confident77.7Confident73 Ų7362 Ų6232%0.31735%0.354SS..  trans-89.5124.1-179.2-62.4179.4-171.6174.10110L378L378-K398 HydrophobicContact CD2-CB 4.06Å
399V77.8Confident78.1Confident60 Ų6062.3 Ų62.336%0.36436%0.358SS..  trans-92.3110.8176.6-178.50000109.2V297 M298 Q401V297-V399 HydrophobicContact CG1-CG1 3.32Å; M298-V399 HydrophobicContact CE-CG1 4.03Å; V399-Q401 PolarHBondContact O-N 3.23Å
400A81.3Confident78.3Confident27 Ų2764.1 Ų64.122%0.22337%0.366CS..  trans-68128177.900000111.1L378 M381L378-A400 HydrophobicContact CD2-CB 4.47Å; L378-A400 HydrophobicContact CG-CB 4.15Å; M381-A400 HydrophobicContact CE-CB 4.47Å
401Q82.8Confident78.9Confident13 Ų1364 Ų646%0.06137%0.371CS..  trans-108.55175.4-68.8-168.241.100112.4I293 T294 M298 G376 Y390 V399I293-Q401 VanDerWaalsContact CG1-C 3.46Å; I293-Q401 PolarHBondContact N-O 3.35Å; T294-Q401 VanDerWaalsContact CG2-OE1 3.29Å; T294-Q401 PolarHBondContact N-O 2.93Å; T294-Q401 PolarHBondContact OG1-OE1 3.33Å; M298-Q401 HydrophobicContact CG-CG 4Å; M298-Q401 HydrophobicContact SD-CG 4.47Å; G376-Q401 PolarHBondContact O-N 3.13Å; Y390-Q401 HydrophobicContact CD1-CB 3.88Å; Y390-Q401 VanDerWaalsContact CD1-CD 3.44Å; Y390-Q401 HydrophobicContact CD1-CG 4.09Å; Y390-Q401 HydrophobicContact CE1-CB 3.76Å; Y390-Q401 HydrophobicContact CE1-CG 4.44Å; V399-Q401 PolarHBondContact O-N 3.23Å
402G80.1Confident79.7Confident5 Ų561.5 Ų61.55%0.05236%0.363CS..BIsolated β-bridgetrans-151.9171.6174.200000113.1I291 G376 S377I291-G402 CarbonylContact O-C 3.57Å; I291-G402 WeakPolarHBondContact O-CA 3.35Å; G376-G402 PolarHBondContact O-N 3.38Å; S377-G402 VanDerWaalsContact CA-O 3.28Å; S377-G402 WeakPolarHBondContact CA-O 3.3Å; S377-G402 WeakPolarHBondContact CB-O 3.45Å
403V83.1Confident80.9Confident64 Ų6461 Ų6139%0.38836%0.36SS..  trans-116.7162-179.2-60.60000111.7I291 I293 G374I291-V403 HydrophobicContact CB-CG2 3.84Å; I291-V403 HydrophobicContact CG2-CG2 4.23Å; I291-V403 PolarHBondContact O-N 3.34Å; I293-V403 HydrophobicContact CD1-CG1 4.21Å; I293-V403 HydrophobicContact CG2-CG1 4.08Å; G374-V403 PolarHBondContact N-O 2.8Å
404S84.6Confident82Confident51 Ų5161.5 Ų61.536%0.35736%0.362SS..EExtended strand (participates in β ladder)trans-110.7141.7169.5-65.10000109.5R373 S377 D379R373-S404 WeakPolarHBondContact CB-OG 3.35Å; S377-S404 PolarHBondContact OG-OG 3.4Å; D379-S404 WeakPolarHBondContact OD2-CB 3.46Å; D379-S404 PolarHBondContact OD2-OG 3.11Å
405G86.3Confident83.3Confident43 Ų4362.5 Ų62.544%0.44335%0.345SS..EExtended strand (participates in β ladder)trans-158.6-163.4177.800000112.2Y372Y372-G405 PolarHBondContact N-O 3.2Å; Y372-G405 CarbonylContact O-C 3.58Å; Y372-G405 PolarHBondContact O-N 2.9Å; Y372-G405 VanDerWaalsContact O-O 3.05Å
406S85.9Confident84.3Confident65 Ų6559.4 Ų59.446%0.45533%0.327SS..EExtended strand (participates in β ladder)trans-129150176.858.20000110.9K370K370-S406 CarbonylContact O-C 3.53Å; K370-S406 VanDerWaalsContact O-CA 3.27Å; K370-S406 WeakPolarHBondContact O-CA 3.12Å
407V85.7Confident85.6Confident32 Ų3249.2 Ų49.219%0.19428%0.283CS..EExtended strand (participates in β ladder)trans-129.1139.7179.3-178.30000108.3A353 L369 K370 Y372A353-V407 HydrophobicContact CB-CB 3.77Å; A353-V407 HydrophobicContact CB-CG1 3.85Å; A353-V407 WeakPolarHBondContact CB-O 3.48Å; L369-V407 WeakPolarHBondContact CA-O 3.34Å; K370-V407 PolarHBondContact N-O 3.18Å; K370-V407 PolarHBondContact O-N 3.29Å; Y372-V407 HydrophobicContact CD1-CG2 3.82Å; Y372-V407 HydrophobicContact CG-CG2 4.02Å
408Q87.4Confident86.5Confident125 Ų12546.2 Ų46.258%0.58427%0.266SS*.EExtended strand (participates in β ladder)trans-63.4143177.7-172.1175.726.400111.7A353 V367 L369 K410A353-Q408 WeakPolarHBondContact CB-O 3.39Å; V367-Q408 HydrophobicContact CG1-CG 3.79Å; L369-Q408 HydrophobicContact CD2-CB 4.12Å; Q408-K410 WeakPolarHBondContact O-CG 3.49Å; Q408-K410 PolarHBondContact O-N 2.7Å
409D86.8Confident87.3Confident47 Ų4746 Ų4625%0.25126%0.264SS..  trans-53.5128.6175.1-175.617.6000111.5A353 Y361 R368 G411A353-D409 WeakPolarHBondContact O-CA 3.27Å; Y361-D409 HydrophobicContact CD1-CB 4.34Å; Y361-D409 HydrophobicContact CE1-CB 3.64Å; Y361-D409 WeakPolarHBondContact CE1-OD1 3.2Å; Y361-D409 PolarHBondContact OH-OD1 3.41Å; R368-D409 HydrophobicContact CB-CB 4.33Å; R368-D409 HydrophobicContact CG-CB 4.33Å; R368-D409 IonicContact NH1-OD2 3.1Å; R368-D409 PolarHBondContact O-N 3.24Å; D409-G411 PolarHBondContact OD1-N 3.18Å
410K86.9Confident88.1Confident66 Ų6643.2 Ų43.229%0.28725%0.247SC..  trans-105.8-0.1179.9-60.5-176.7-178.5177.30112.9S349 L350 A353 T354 Q408S349-K410 PolarHBondContact O-NZ 2.98Å; L350-K410 WeakPolarHBondContact O-CD 3.23Å; L350-K410 PolarHBondContact O-NZ 3.35Å; A353-K410 PolarHBondContact O-N 3.14Å; T354-K410 HydrophobicContact CG2-CB 4.14Å; Q408-K410 WeakPolarHBondContact O-CG 3.49Å; Q408-K410 PolarHBondContact O-N 2.7Å
411G89.5Confident88.7Confident17 Ų1742.6 Ų42.618%0.17524%0.24CC..BIsolated β-bridgetrans72.8-159.8-170.900000112.3T354 T355 D409T354-G411 CarbonylContact C-O 3.58Å; T354-G411 WeakPolarHBondContact CA-O 3.27Å; T354-G411 WeakPolarHBondContact CB-O 3.27Å; T355-G411 PolarHBondContact N-O 3.48Å; D409-G411 PolarHBondContact OD1-N 3.18Å
412S92.1Very high89.2Confident26 Ų2643.7 Ų43.718%0.18225%0.251CS..  trans-81.7141.3-174.2166.50000112.9E356 Q414 K415 F416E356-S412 WeakPolarHBondContact OE1-CB 3.15Å; E356-S412 PolarHBondContact OE1-OG 3.37Å; E356-S412 WeakPolarHBondContact OE2-CA 3Å; S412-Q414 PolarHBondContact O-N 3.01Å; S412-Q414 WeakPolarHBondContact OG-CB 3.45Å; S412-Q414 WeakPolarHBondContact OG-CG 3.29Å; S412-Q414 PolarHBondContact OG-N 3.43Å; S412-K415 PolarHBondContact O-N 3.24Å; S412-K415 VanDerWaalsContact O-N 3.1Å; S412-F416 PolarHBondContact O-N 3.47Å
413V93Very high89.9Confident0 Ų044.4 Ų44.40%026%0.258CS..Hα-helixtrans-58.6-24.7170.1-86.20000113M39 A42 L351 T354 E356 K415 F416 V417M39-V413 HydrophobicContact CE-CG1 4.15Å; M39-V413 HydrophobicContact SD-CG1 4.01Å; M39-V413 HydrophobicContact SD-CG2 4.32Å; A42-V413 HydrophobicContact CB-CG2 3.46Å; A42-V413 VanDerWaalsContact CB-CG2 3.46Å; L351-V413 HydrophobicContact CD2-CG1 3.82Å; T354-V413 HydrophobicContact CG2-CG1 3.93Å; E356-V413 HydrophobicContact CB-CG2 3.95Å; E356-V413 HydrophobicContact CG-CG2 3.69Å; E356-V413 WeakPolarHBondContact OE2-CG2 3.45Å; E356-V413 PolarHBondContact OE2-N 3.26Å; V413-K415 PolarHBondContact O-N 2.99Å; V413-F416 PolarHBondContact O-N 3.26Å; V413-V417 HydrophobicContact CB-CG2 4.01Å; V413-V417 HydrophobicContact CG1-CG2 4.17Å; V413-V417 WeakPolarHBondContact O-CB 3.27Å; V413-V417 WeakPolarHBondContact O-CG2 3.44Å; V413-V417 PolarHBondContact O-N 3.19Å
414Q89.7Confident90.5Very high91 Ų9141.4 Ų41.443%0.42524%0.24SC..Hα-helixtrans-62.5-25.3177.2-61179.511.300112.8S412 P418S412-Q414 PolarHBondContact O-N 3.01Å; S412-Q414 WeakPolarHBondContact OG-CB 3.45Å; S412-Q414 WeakPolarHBondContact OG-CG 3.29Å; S412-Q414 PolarHBondContact OG-N 3.43Å; Q414-P418 VanDerWaalsContact O-CD 3.27Å; Q414-P418 WeakPolarHBondContact O-CD 3.49Å; Q414-P418 WeakPolarHBondContact O-CG 3.35Å
415K89.5Confident91Very high98 Ų9840.6 Ų40.643%0.42623%0.231SC..Hα-helixtrans-96.7-36.1173.7-63.9-177.1-178.8-179.20111.9S412 V413 P418 F474S412-K415 PolarHBondContact O-N 3.24Å; S412-K415 VanDerWaalsContact O-N 3.1Å; V413-K415 PolarHBondContact O-N 2.99Å; K415-P418 WeakPolarHBondContact O-CD 3.4Å; K415-F474 HydrophobicContact CB-CE2 4.28Å
416F91.1Very high91.3Very high15 Ų1543.6 Ų43.67%0.06623%0.233CC..Hα-helixtrans-77.5-38.8-173.5-175.7-121.1000113.8L350 L351 S412 V413 Y419 L420 F474L350-F416 HydrophobicContact CD1-CE1 4.36Å; L350-F416 HydrophobicContact CD1-CZ 3.87Å; L350-F416 HydrophobicContact CD2-CE1 4.42Å; L350-F416 HydrophobicContact CD2-CZ 4.38Å; L350-F416 HydrophobicContact CG-CE1 3.8Å; L350-F416 HydrophobicContact CG-CZ 3.78Å; L350-F416 VanDerWaalsContact O-CE1 3.29Å; L350-F416 WeakPolarHBondContact O-CE1 3.43Å; L351-F416 HydrophobicContact CD2-CD1 4.27Å; L351-F416 HydrophobicContact CD2-CE1 4.32Å; S412-F416 PolarHBondContact O-N 3.47Å; V413-F416 PolarHBondContact O-N 3.26Å; F416-Y419 AromaticContact CD2-CD1 3.99Å; F416-Y419 HydrophobicContact CD2-CD1 3.99Å; F416-Y419 AromaticContact CE2-CD1 3.83Å; F416-Y419 HydrophobicContact CE2-CD1 3.83Å; F416-Y419 HydrophobicContact CE2-CE1 4.11Å; F416-Y419 WeakPolarHBondContact O-CB 3.3Å; F416-Y419 PolarHBondContact O-N 3.09Å; F416-L420 HydrophobicContact CD1-CD1 4.37Å; F416-L420 HydrophobicContact CE1-CD1 4.02Å; F416-L420 HydrophobicContact CE1-CD2 4.32Å; F416-L420 HydrophobicContact CE1-CG 4.32Å; F416-L420 HydrophobicContact CE2-CD2 4.29Å; F416-L420 HydrophobicContact CZ-CD1 4.47Å; F416-L420 HydrophobicContact CZ-CD2 3.94Å; F416-L420 HydrophobicContact CZ-CG 4.37Å; F416-L420 PolarHBondContact O-N 2.9Å; F416-L420 VanDerWaalsContact O-N 3.11Å; F416-F474 AromaticContact CD2-CE1 3.93Å; F416-F474 HydrophobicContact CD2-CE1 3.93Å
417V93.9Very high91.7Very high0 Ų041.4 Ų41.40%022%0.22CC..Hα-helixtrans-65-41.61781740000112.6L26 M43 M46 V413 Y419 L420 I421L26-V417 HydrophobicContact CD1-CG1 3.83Å; M43-V417 HydrophobicContact SD-CG2 3.96Å; M46-V417 HydrophobicContact CB-CB 4.17Å; M46-V417 HydrophobicContact CB-CG1 3.61Å; M46-V417 HydrophobicContact CG-CB 4.25Å; M46-V417 HydrophobicContact CG-CG1 4.23Å; V413-V417 HydrophobicContact CB-CG2 4.01Å; V413-V417 HydrophobicContact CG1-CG2 4.17Å; V413-V417 WeakPolarHBondContact O-CB 3.27Å; V413-V417 WeakPolarHBondContact O-CG2 3.44Å; V413-V417 PolarHBondContact O-N 3.19Å; V417-Y419 PolarHBondContact O-N 3.05Å; V417-L420 WeakPolarHBondContact O-CB 3.39Å; V417-L420 PolarHBondContact O-N 3.34Å; V417-I421 HydrophobicContact CG1-CD1 3.82Å; V417-I421 HydrophobicContact CG1-CG1 4.27Å; V417-I421 WeakPolarHBondContact O-CG1 3.09Å; V417-I421 PolarHBondContact O-N 2.85Å
418P92.6Very high92.1Very high52 Ų5239.9 Ų39.934%0.33821%0.211SC..Hα-helixtrans-54.2-39.6170.1-30.436.9000113.8M46 Q414 K415 I421 A422M46-P418 HydrophobicContact CE-CG 3.36Å; Q414-P418 VanDerWaalsContact O-CD 3.27Å; Q414-P418 WeakPolarHBondContact O-CD 3.49Å; Q414-P418 WeakPolarHBondContact O-CG 3.35Å; K415-P418 WeakPolarHBondContact O-CD 3.4Å; P418-I421 PolarHBondContact O-N 2.94Å; P418-A422 WeakPolarHBondContact O-CB 3.47Å; P418-A422 PolarHBondContact O-N 2.96Å
419Y92.7Very high92.3Very high69 Ų6936.1 Ų36.127%0.27119%0.193SC..Hα-helixtrans-62-45174.1159.5-100.6000111.5V331 F416 V417 I421 A422 G423 P473 F474V331-Y419 HydrophobicContact CG2-CD1 4.41Å; V331-Y419 HydrophobicContact CG2-CE1 3.68Å; F416-Y419 AromaticContact CD2-CD1 3.99Å; F416-Y419 HydrophobicContact CD2-CD1 3.99Å; F416-Y419 AromaticContact CE2-CD1 3.83Å; F416-Y419 HydrophobicContact CE2-CD1 3.83Å; F416-Y419 HydrophobicContact CE2-CE1 4.11Å; F416-Y419 WeakPolarHBondContact O-CB 3.3Å; F416-Y419 PolarHBondContact O-N 3.09Å; V417-Y419 PolarHBondContact O-N 3.05Å; Y419-I421 PolarHBondContact O-N 3.46Å; Y419-A422 PolarHBondContact O-N 2.83Å; Y419-G423 PolarHBondContact O-N 2.85Å; Y419-P473 WeakPolarHBondContact CD2-O 3.26Å; Y419-P473 HydrophobicContact CE1-CB 4.29Å; Y419-P473 WeakPolarHBondContact CE2-O 3.35Å; Y419-F474 HydrophobicContact CD1-CD1 4.39Å; Y419-F474 HydrophobicContact CD2-CB 4.02Å; Y419-F474 HydrophobicContact CD2-CD1 4.43Å; Y419-F474 HydrophobicContact CG-CB 4.36Å; Y419-F474 HydrophobicContact CG-CD1 4.08Å
420L94.6Very high92.5Very high1 Ų139.7 Ų39.71%0.00521%0.212CC..Hα-helixtrans-61-45175.5-59.7-178.9000111.4L26 V331 M347 L350 F416 V417 G423 I424L26-L420 HydrophobicContact CD1-CB 4.11Å; L26-L420 HydrophobicContact CD1-CD1 4.31Å; V331-L420 HydrophobicContact CG2-CD2 3.47Å; V331-L420 VanDerWaalsContact CG2-CD2 3.47Å; M347-L420 HydrophobicContact CE-CD1 4.08Å; M347-L420 HydrophobicContact SD-CD1 4.1Å; L350-L420 HydrophobicContact CD2-CD1 3.98Å; L350-L420 HydrophobicContact CD2-CD2 3.95Å; F416-L420 HydrophobicContact CD1-CD1 4.37Å; F416-L420 HydrophobicContact CE1-CD1 4.02Å; F416-L420 HydrophobicContact CE1-CD2 4.32Å; F416-L420 HydrophobicContact CE1-CG 4.32Å; F416-L420 HydrophobicContact CE2-CD2 4.29Å; F416-L420 HydrophobicContact CZ-CD1 4.47Å; F416-L420 HydrophobicContact CZ-CD2 3.94Å; F416-L420 HydrophobicContact CZ-CG 4.37Å; F416-L420 PolarHBondContact O-N 2.9Å; F416-L420 VanDerWaalsContact O-N 3.11Å; V417-L420 WeakPolarHBondContact O-CB 3.39Å; V417-L420 PolarHBondContact O-N 3.34Å; L420-G423 PolarHBondContact O-N 3.14Å; L420-I424 WeakPolarHBondContact O-CD1 3.47Å; L420-I424 WeakPolarHBondContact O-CG1 3.25Å; L420-I424 PolarHBondContact O-N 2.85Å
421I94.9Very high92.8Very high15 Ų1539.1 Ų39.18%0.07721%0.212CC..Hα-helixtrans-57.5-54177.8-70.8163.6000110.4L12 T24 L26 V417 P418 Y419 G423 I424 Q425L12-I421 HydrophobicContact CD1-CB 4.27Å; L12-I421 HydrophobicContact CD1-CG1 4.41Å; L12-I421 HydrophobicContact CD1-CG2 3.82Å; T24-I421 HydrophobicContact CG2-CD1 3.65Å; T24-I421 HydrophobicContact CG2-CG1 3.86Å; L26-I421 HydrophobicContact CD1-CG1 4.31Å; V417-I421 HydrophobicContact CG1-CD1 3.82Å; V417-I421 HydrophobicContact CG1-CG1 4.27Å; V417-I421 WeakPolarHBondContact O-CG1 3.09Å; V417-I421 PolarHBondContact O-N 2.85Å; P418-I421 PolarHBondContact O-N 2.94Å; Y419-I421 PolarHBondContact O-N 3.46Å; I421-G423 VanDerWaalsContact C-N 3.32Å; I421-G423 PolarHBondContact O-N 3.22Å; I421-I424 PolarHBondContact O-N 3.46Å; I421-Q425 HydrophobicContact CG2-CG 4.48Å; I421-Q425 VanDerWaalsContact O-CG 3.3Å; I421-Q425 WeakPolarHBondContact O-CG 3.36Å; I421-Q425 PolarHBondContact O-N 3.43Å
422A93.6Very high92.9Very high35 Ų3539.1 Ų39.129%0.28921%0.212SC..Hα-helixtrans-58.8-45.518000000111.3P418 Y419 I424 Q425 H426P418-A422 WeakPolarHBondContact O-CB 3.47Å; P418-A422 PolarHBondContact O-N 2.96Å; Y419-A422 PolarHBondContact O-N 2.83Å; A422-I424 VanDerWaalsContact C-N 3.33Å; A422-I424 PolarHBondContact O-N 3.45Å; A422-Q425 WeakPolarHBondContact O-CB 3.38Å; A422-Q425 PolarHBondContact O-N 2.94Å; A422-Q425 VanDerWaalsContact O-N 3.17Å; A422-H426 PolarHBondContact O-CD2 3.02Å; A422-H426 PolarHBondContact O-N 3.22Å
423G93.9Very high92.9Very high20 Ų2038 Ų3821%0.20620%0.204CC..Hα-helixtrans-64.5-34178.400000113.7V331 Y419 L420 I421 G427V331-G423 VanDerWaalsContact CG1-C 3.43Å; Y419-G423 PolarHBondContact O-N 2.85Å; L420-G423 PolarHBondContact O-N 3.14Å; I421-G423 VanDerWaalsContact C-N 3.32Å; I421-G423 PolarHBondContact O-N 3.22Å; G423-G427 PolarHBondContact O-N 3.2Å
424I95.9Very high92.8Very high1 Ų145.5 Ų45.51%0.00523%0.233CC..Hα-helixtrans-68.5-42172.6-64.3158.8000110.5L12 P25 L26 V331 V334 V335 L338 L420 I421 A422 G427 C428L12-I424 HydrophobicContact CD1-CB 4.2Å; L12-I424 HydrophobicContact CD1-CG2 4.16Å; L12-I424 HydrophobicContact CD2-CB 4.4Å; L12-I424 HydrophobicContact CD2-CG2 3.6Å; P25-I424 HydrophobicContact CG-CD1 4.47Å; L26-I424 HydrophobicContact CD2-CD1 3.99Å; V331-I424 HydrophobicContact CG1-CG1 4.2Å; V334-I424 HydrophobicContact CB-CD1 4.44Å; V334-I424 HydrophobicContact CB-CG1 4.39Å; V334-I424 HydrophobicContact CG1-CD1 3.58Å; V334-I424 HydrophobicContact CG1-CG1 3.88Å; V335-I424 HydrophobicContact CG2-CB 4.39Å; V335-I424 HydrophobicContact CG2-CG1 4.25Å; V335-I424 HydrophobicContact CG2-CG2 4.43Å; L338-I424 HydrophobicContact CD1-CG2 4.11Å; L420-I424 WeakPolarHBondContact O-CD1 3.47Å; L420-I424 WeakPolarHBondContact O-CG1 3.25Å; L420-I424 PolarHBondContact O-N 2.85Å; I421-I424 PolarHBondContact O-N 3.46Å; A422-I424 VanDerWaalsContact C-N 3.33Å; A422-I424 PolarHBondContact O-N 3.45Å; I424-G427 PolarHBondContact O-N 3.48Å; I424-C428 WeakPolarHBondContact O-CB 3.03Å; I424-C428 PolarHBondContact O-N 3.28Å; I424-C428 PolarHBondContact O-SG 3.09Å
425Q94.6Very high93Very high35 Ų3542.5 Ų42.516%0.16422%0.222CC..Hα-helixtrans-60.7-47.8177.5-69.4171.7-31.800111.2L9 L12 I421 A422 C428 Q429L9-Q425 HydrophobicContact CB-CB 4.37Å; L9-Q425 HydrophobicContact CD2-CG 4.19Å; L9-Q425 WeakPolarHBondContact O-CG 3.45Å; L9-Q425 PolarHBondContact O-NE2 3.45Å; L9-Q425 VanDerWaalsContact O-NE2 3.11Å; L12-Q425 HydrophobicContact CD1-CG 4.04Å; L12-Q425 HydrophobicContact CD2-CG 4.18Å; L12-Q425 HydrophobicContact CG-CG 4.01Å; I421-Q425 HydrophobicContact CG2-CG 4.48Å; I421-Q425 VanDerWaalsContact O-CG 3.3Å; I421-Q425 WeakPolarHBondContact O-CG 3.36Å; I421-Q425 PolarHBondContact O-N 3.43Å; A422-Q425 WeakPolarHBondContact O-CB 3.38Å; A422-Q425 PolarHBondContact O-N 2.94Å; A422-Q425 VanDerWaalsContact O-N 3.17Å; Q425-C428 PolarHBondContact O-N 2.9Å; Q425-Q429 WeakPolarHBondContact O-CB 3.27Å; Q425-Q429 PolarHBondContact O-N 3.34Å
426H93.1Very high93.3Very high106 Ų10637.9 Ų37.949%0.49120%0.201SC..Hα-helixtrans-59.7-48.1174.4-73.5-61.9000111.6A422 C428 Q429 D430A422-H426 PolarHBondContact O-CD2 3.02Å; A422-H426 PolarHBondContact O-N 3.22Å; H426-C428 VanDerWaalsContact C-N 3.3Å; H426-C428 PolarHBondContact O-N 3.43Å; H426-Q429 WeakPolarHBondContact O-CB 3.24Å; H426-Q429 PolarHBondContact O-N 2.94Å; H426-Q429 VanDerWaalsContact O-N 3.15Å; H426-D430 PolarHBondContact O-N 3.45Å
427G94.1Very high93.4Very high18 Ų1840.6 Ų40.619%0.18622%0.223CC..Hα-helixtrans-59.4-38.9177.500000113.4G423 I424 I431G423-G427 PolarHBondContact O-N 3.2Å; I424-G427 PolarHBondContact O-N 3.48Å; G427-I431 WeakPolarHBondContact O-CD1 3.36Å; G427-I431 WeakPolarHBondContact O-CG1 3.16Å; G427-I431 PolarHBondContact O-N 2.62Å
428C93.7Very high93.5Very high0 Ų044.1 Ų44.10%024%0.241CC..Hα-helixtrans-71-38.3175.8-66.40000112.4L9 I424 Q425 H426 I431 G432 A433L9-C428 HydrophobicContact CD2-CB 3.85Å; I424-C428 WeakPolarHBondContact O-CB 3.03Å; I424-C428 PolarHBondContact O-N 3.28Å; I424-C428 PolarHBondContact O-SG 3.09Å; Q425-C428 PolarHBondContact O-N 2.9Å; H426-C428 VanDerWaalsContact C-N 3.3Å; H426-C428 PolarHBondContact O-N 3.43Å; C428-I431 PolarHBondContact O-N 2.86Å; C428-G432 PolarHBondContact O-N 3.24Å; C428-A433 HydrophobicContact CB-CB 4.48Å; C428-A433 PolarHBondContact O-N 3.19Å
429Q91.4Very high93.6Very high46 Ų4641.7 Ų41.722%0.21523%0.225CC..Hα-helixtrans-61-46.1176.7-179.9-179.91.700110.9F5 Q425 H426 I431 G432F5-Q429 PolarHBondContact O-NE2 3.34Å; Q425-Q429 WeakPolarHBondContact O-CB 3.27Å; Q425-Q429 PolarHBondContact O-N 3.34Å; H426-Q429 WeakPolarHBondContact O-CB 3.24Å; H426-Q429 PolarHBondContact O-N 2.94Å; H426-Q429 VanDerWaalsContact O-N 3.15Å; Q429-I431 VanDerWaalsContact C-N 3.3Å; Q429-I431 PolarHBondContact O-N 2.91Å; Q429-G432 WeakPolarHBondContact O-CA 3.41Å; Q429-G432 PolarHBondContact O-N 3.24Å
430D91.7Very high93.7Very high122 Ų12239.5 Ų39.565%0.65222%0.216SC*.Hα-helixtrans-65.9-33.3178.6-68-17.4000112.1H426 G432H426-D430 PolarHBondContact O-N 3.45Å; D430-G432 PolarHBondContact O-N 3.14Å
431I93.7Very high93.7Very high54 Ų5442.8 Ų42.828%0.27724%0.239SC..Hα-helixtrans-70.1-22.8171.5-69.5166.3000111.7V335 G427 C428 Q429 A433 L439 M442 L448V335-I431 HydrophobicContact CG1-CD1 3.8Å; G427-I431 WeakPolarHBondContact O-CD1 3.36Å; G427-I431 WeakPolarHBondContact O-CG1 3.16Å; G427-I431 PolarHBondContact O-N 2.62Å; C428-I431 PolarHBondContact O-N 2.86Å; Q429-I431 VanDerWaalsContact C-N 3.3Å; Q429-I431 PolarHBondContact O-N 2.91Å; I431-A433 HydrophobicContact CG2-CB 4.48Å; I431-L439 HydrophobicContact CD1-CD1 4.18Å; I431-L439 HydrophobicContact CG2-CD1 3.76Å; I431-M442 HydrophobicContact CG2-CE 4.45Å; I431-L448 HydrophobicContact CG2-CD1 3.72Å; I431-L448 HydrophobicContact CG2-CD2 4.49Å
432G91.5Very high93.7Very high17 Ų1742.8 Ų42.818%0.17524%0.239CC..THydrogen-bonded Turntrans90.69.8-175.100000114.7C428 Q429 D430C428-G432 PolarHBondContact O-N 3.24Å; Q429-G432 WeakPolarHBondContact O-CA 3.41Å; Q429-G432 PolarHBondContact O-N 3.24Å; D430-G432 PolarHBondContact O-N 3.14Å
433A91.9Very high93.8Very high3 Ų341.9 Ų41.93%0.02523%0.229CC..  trans-86.8127.9-179.500000111.9L9 C428 I431 I438 L439 M442L9-A433 VanDerWaalsContact CD1-O 3.24Å; L9-A433 WeakPolarHBondContact CD1-O 3.41Å; C428-A433 HydrophobicContact CB-CB 4.48Å; C428-A433 PolarHBondContact O-N 3.19Å; I431-A433 HydrophobicContact CG2-CB 4.48Å; A433-I438 HydrophobicContact CB-CG2 4.42Å; A433-L439 HydrophobicContact CB-CB 3.73Å; A433-L439 HydrophobicContact CB-CD1 3.95Å; A433-L439 HydrophobicContact CB-CG 4.42Å; A433-M442 HydrophobicContact CB-SD 3.99Å
434R91.1Very high93.8Very high158 Ų15844.4 Ų44.460%0.59623%0.233SC*.SBendtrans-93.8-2.9179.7-63.7-176.3-176.5179.11.6115.4L9 I438L9-R434 VanDerWaalsContact CD1-CA 3.44Å; L9-R434 WeakPolarHBondContact CD1-O 3.41Å; R434-I438 HydrophobicContact CB-CD1 3.85Å
435S94.1Very high93.8Very high27 Ų2748.1 Ų48.119%0.18926%0.259CS..SBendtrans-160.8163169.169.80000108.8L9 S437 I438 L439L9-S435 VanDerWaalsContact CD1-N 3.35Å; S435-S437 PolarHBondContact O-N 3.04Å; S435-S437 PolarHBondContact OG-N 3.4Å; S435-I438 PolarHBondContact O-N 3.25Å; S435-I438 WeakPolarHBondContact OG-CG1 3.18Å; S435-I438 PolarHBondContact OG-N 3.22Å; S435-L439 PolarHBondContact O-N 3.16Å
436L95.4Very high93.8Very high1 Ų147.8 Ų47.81%0.00527%0.265CS..Hα-helixtrans-65.2-27.2174.1-63.2-179.5000112.2L12 P25 L338 L439 R440L12-L436 HydrophobicContact CB-CD1 4.39Å; L12-L436 HydrophobicContact CD2-CD1 4.33Å; L12-L436 HydrophobicContact CD2-CD2 4.17Å; L12-L436 HydrophobicContact CD2-CG 4.23Å; L12-L436 VanDerWaalsContact O-CD1 3.3Å; L12-L436 WeakPolarHBondContact O-CD1 3.2Å; P25-L436 HydrophobicContact CB-CD1 3.93Å; P25-L436 HydrophobicContact CG-CD1 3.77Å; L338-L436 HydrophobicContact CD1-CD1 4.4Å; L338-L436 HydrophobicContact CD1-CD2 4.02Å; L436-L439 HydrophobicContact CD2-CD2 4.14Å; L436-R440 WeakPolarHBondContact O-CG 3.15Å; L436-R440 VanDerWaalsContact O-CZ 3.23Å; L436-R440 PolarHBondContact O-N 3.13Å; L436-R440 VanDerWaalsContact O-N 3.1Å; L436-R440 PolarHBondContact O-NE 3.29Å
437S93.8Very high94Very high73 Ų7347.5 Ų47.551%0.5126%0.264SS..Hα-helixtrans-68-41.3172.5-63.80000111.9S435 R440 S441S435-S437 PolarHBondContact O-N 3.04Å; S435-S437 PolarHBondContact OG-N 3.4Å; S437-R440 PolarHBondContact O-N 3.37Å; S437-R440 PolarHBondContact OG-NH2 3.05Å; S437-S441 WeakPolarHBondContact O-CB 3.32Å; S437-S441 PolarHBondContact O-N 3.03Å
438I94.7Very high94.1Very high74 Ų7448 Ų4838%0.37926%0.262SS..Hα-helixtrans-64.2-45.9173.1-71.2166.6000110.1A433 R434 S435 R440 S441 M442A433-I438 HydrophobicContact CB-CG2 4.42Å; R434-I438 HydrophobicContact CB-CD1 3.85Å; S435-I438 PolarHBondContact O-N 3.25Å; S435-I438 WeakPolarHBondContact OG-CG1 3.18Å; S435-I438 PolarHBondContact OG-N 3.22Å; I438-R440 VanDerWaalsContact C-N 3.31Å; I438-R440 PolarHBondContact O-N 3.33Å; I438-S441 CarbonylContact O-C 3.59Å; I438-S441 WeakPolarHBondContact O-CA 3.45Å; I438-S441 WeakPolarHBondContact O-CB 3.37Å; I438-S441 PolarHBondContact O-N 3.12Å; I438-M442 HydrophobicContact CG2-CG 4.08Å; I438-M442 HydrophobicContact CG2-SD 3.79Å; I438-M442 VanDerWaalsContact O-CG 3.3Å; I438-M442 WeakPolarHBondContact O-CG 3.38Å; I438-M442 PolarHBondContact O-N 3.17Å
439L95.4Very high94.2Very high0 Ų055.8 Ų55.80%030%0.296CS..Hα-helixtrans-52.8-48.1177.7179.863.9000111.9L338 A339 I431 A433 S435 L436 M442 M443 L448L338-L439 HydrophobicContact CB-CD2 4.13Å; A339-L439 HydrophobicContact CB-CD1 4.09Å; A339-L439 HydrophobicContact CB-CD2 4.19Å; A339-L439 HydrophobicContact CB-CG 4.27Å; I431-L439 HydrophobicContact CD1-CD1 4.18Å; I431-L439 HydrophobicContact CG2-CD1 3.76Å; A433-L439 HydrophobicContact CB-CB 3.73Å; A433-L439 HydrophobicContact CB-CD1 3.95Å; A433-L439 HydrophobicContact CB-CG 4.42Å; S435-L439 PolarHBondContact O-N 3.16Å; L436-L439 HydrophobicContact CD2-CD2 4.14Å; L439-M442 PolarHBondContact O-N 2.76Å; L439-M443 PolarHBondContact O-N 3.01Å; L439-L448 HydrophobicContact CD1-CD2 4.03Å
440R94.5Very high94.4Very high24 Ų2458.7 Ų58.79%0.09131%0.308CS..Hα-helixtrans-65.9-40.7176.5-70.2-178.8-68.1-96.2-0.6111.9S14 L436 S437 I438 M443 Y444S14-R440 PolarHBondContact OG-NH1 2.95Å; L436-R440 WeakPolarHBondContact O-CG 3.15Å; L436-R440 VanDerWaalsContact O-CZ 3.23Å; L436-R440 PolarHBondContact O-N 3.13Å; L436-R440 VanDerWaalsContact O-N 3.1Å; L436-R440 PolarHBondContact O-NE 3.29Å; S437-R440 PolarHBondContact O-N 3.37Å; S437-R440 PolarHBondContact OG-NH2 3.05Å; I438-R440 VanDerWaalsContact C-N 3.31Å; I438-R440 PolarHBondContact O-N 3.33Å; R440-M443 PolarHBondContact O-N 2.96Å; R440-Y444 HydrophobicContact CB-CE2 4.03Å; R440-Y444 WeakPolarHBondContact O-CB 3.48Å; R440-Y444 WeakPolarHBondContact O-CD2 3.44Å; R440-Y444 PolarHBondContact O-N 2.9Å
441S94.7Very high94.6Very high70 Ų7061 Ų6149%0.4931%0.314SS..Hα-helixtrans-61.1-42.4176.7-170.60000112.7S437 I438 M443 Y444 S445S437-S441 WeakPolarHBondContact O-CB 3.32Å; S437-S441 PolarHBondContact O-N 3.03Å; I438-S441 CarbonylContact O-C 3.59Å; I438-S441 WeakPolarHBondContact O-CA 3.45Å; I438-S441 WeakPolarHBondContact O-CB 3.37Å; I438-S441 PolarHBondContact O-N 3.12Å; S441-M443 VanDerWaalsContact C-N 3.33Å; S441-M443 PolarHBondContact O-N 2.77Å; S441-Y444 PolarHBondContact O-N 3.11Å; S441-S445 PolarHBondContact O-N 2.93Å; S441-S445 PolarHBondContact O-OG 2.68Å
442M95.6Very high94.7Very high14 Ų1467.7 Ų67.77%0.06934%0.342CS..Hα-helixtrans-62.4-38.8176-66.116871.500111.9I431 A433 I438 L439 S445 G446 E447 L448I431-M442 HydrophobicContact CG2-CE 4.45Å; A433-M442 HydrophobicContact CB-SD 3.99Å; I438-M442 HydrophobicContact CG2-CG 4.08Å; I438-M442 HydrophobicContact CG2-SD 3.79Å; I438-M442 VanDerWaalsContact O-CG 3.3Å; I438-M442 WeakPolarHBondContact O-CG 3.38Å; I438-M442 PolarHBondContact O-N 3.17Å; L439-M442 PolarHBondContact O-N 2.76Å; M442-S445 PolarHBondContact O-OG 2.82Å; M442-S445 VanDerWaalsContact O-OG 3.14Å; M442-G446 PolarHBondContact O-N 2.83Å; M442-E447 HydrophobicContact CB-CB 4.34Å; M442-E447 HydrophobicContact CE-CG 4.47Å; M442-E447 PolarHBondContact O-N 3.29Å; M442-L448 HydrophobicContact CB-CB 3.89Å; M442-L448 PolarHBondContact O-N 3.15Å
443M95.6Very high94.9Very high17 Ų1772.8 Ų72.88%0.08436%0.356CS..Hα-helixtrans-64.3-45.3172.9-177.2-88.7-69.200111.1Y309 A339 L340 L439 R440 S441 S445 G446 L448 F450Y309-M443 HydrophobicContact CD2-SD 4.1Å; Y309-M443 HydrophobicContact CE2-SD 3.74Å; A339-M443 WeakPolarHBondContact O-CB 3.44Å; A339-M443 WeakPolarHBondContact O-CG 3.49Å; L340-M443 WeakPolarHBondContact O-CE 3.48Å; L439-M443 PolarHBondContact O-N 3.01Å; R440-M443 PolarHBondContact O-N 2.96Å; S441-M443 VanDerWaalsContact C-N 3.33Å; S441-M443 PolarHBondContact O-N 2.77Å; M443-S445 PolarHBondContact O-N 2.94Å; M443-G446 PolarHBondContact O-N 3.39Å; M443-G446 VanDerWaalsContact O-N 3.15Å; M443-L448 HydrophobicContact CB-CD2 4.3Å; M443-F450 HydrophobicContact CG-CE2 3.96Å; M443-F450 HydrophobicContact CG-CZ 4.47Å
444Y94Very high95.2Very high73 Ų7377.2 Ų77.229%0.28638%0.383SS..Hα-helixtrans-67-33.2-178.6-69.1-27.8000115R316 R440 S441 G446R316-Y444 HydrophobicContact CB-CE2 4.43Å; R440-Y444 HydrophobicContact CB-CE2 4.03Å; R440-Y444 WeakPolarHBondContact O-CB 3.48Å; R440-Y444 WeakPolarHBondContact O-CD2 3.44Å; R440-Y444 PolarHBondContact O-N 2.9Å; S441-Y444 PolarHBondContact O-N 3.11Å; Y444-G446 VanDerWaalsContact C-N 3.27Å
445S96Very high95.4Very high79 Ų7976.6 Ų76.655%0.55239%0.388SS*.Hα-helixtrans-79.5-12.7174.863.70000112.7S441 M442 M443 E447S441-S445 PolarHBondContact O-N 2.93Å; S441-S445 PolarHBondContact O-OG 2.68Å; M442-S445 PolarHBondContact O-OG 2.82Å; M442-S445 VanDerWaalsContact O-OG 3.14Å; M443-S445 PolarHBondContact O-N 2.94Å; S445-E447 VanDerWaalsContact C-N 3.26Å; S445-E447 WeakPolarHBondContact OG-CB 3.28Å; S445-E447 PolarHBondContact OG-N 3.19Å
446G94.6Very high95.5Very high28 Ų2879.1 Ų79.129%0.28941%0.406SS..THydrogen-bonded Turntrans74.712.2-171.700000113.9M442 M443 Y444 K449M442-G446 PolarHBondContact O-N 2.83Å; M443-G446 PolarHBondContact O-N 3.39Å; M443-G446 VanDerWaalsContact O-N 3.15Å; Y444-G446 VanDerWaalsContact C-N 3.27Å; G446-K449 WeakPolarHBondContact O-CD 3.48Å; G446-K449 WeakPolarHBondContact O-CE 3.48Å; G446-K449 PolarHBondContact O-NZ 3.27Å
447E96.4Very high95.6Very high100 Ų10080 Ų8047%0.46741%0.414SS..  trans-66.2-45.1171.9-179.2-179176.100110.9M442 S445 K449M442-E447 HydrophobicContact CB-CB 4.34Å; M442-E447 HydrophobicContact CE-CG 4.47Å; M442-E447 PolarHBondContact O-N 3.29Å; S445-E447 VanDerWaalsContact C-N 3.26Å; S445-E447 WeakPolarHBondContact OG-CB 3.28Å; S445-E447 PolarHBondContact OG-N 3.19Å; E447-K449 PolarHBondContact O-N 2.95Å
448L95.4Very high95.6Very high27 Ų2781.3 Ų81.314%0.14141%0.412CS..SBendtrans-74122.8171.9-178.859.3000109.6A339 I431 L439 M442 M443 F450A339-L448 HydrophobicContact CB-CD2 4.13Å; I431-L448 HydrophobicContact CG2-CD1 3.72Å; I431-L448 HydrophobicContact CG2-CD2 4.49Å; L439-L448 HydrophobicContact CD1-CD2 4.03Å; M442-L448 HydrophobicContact CB-CB 3.89Å; M442-L448 PolarHBondContact O-N 3.15Å; M443-L448 HydrophobicContact CB-CD2 4.3Å; L448-F450 HydrophobicContact CD2-CE1 4.44Å; L448-F450 HydrophobicContact CD2-CE2 3.79Å; L448-F450 HydrophobicContact CD2-CZ 3.55Å; L448-F450 HydrophobicContact CG-CD2 4.47Å; L448-F450 HydrophobicContact CG-CE2 3.8Å; L448-F450 HydrophobicContact CG-CZ 3.98Å
449K95.9Very high95.4Very high165 Ų16584.1 Ų84.172%0.71742%0.424SS*.  trans-104.6146.4175.6-57.5-56-170.7-170.90110.6G446 E447G446-K449 WeakPolarHBondContact O-CD 3.48Å; G446-K449 WeakPolarHBondContact O-CE 3.48Å; G446-K449 PolarHBondContact O-NZ 3.27Å; E447-K449 PolarHBondContact O-N 2.95Å
450F96.3Very high95.4Very high106 Ų10690.3 Ų90.347%0.46545%0.454SS..  trans-120.9140.5175.4-65.3-95.1000109A339 L340 M443 L448A339-F450 HydrophobicContact CB-CE1 4.09Å; A339-F450 HydrophobicContact CB-CZ 3.9Å; L340-F450 HydrophobicContact CD2-CE1 4.13Å; L340-F450 HydrophobicContact CD2-CZ 4.12Å; L340-F450 HydrophobicContact CG-CE1 4.45Å; M443-F450 HydrophobicContact CG-CE2 3.96Å; M443-F450 HydrophobicContact CG-CZ 4.47Å; L448-F450 HydrophobicContact CD2-CE1 4.44Å; L448-F450 HydrophobicContact CD2-CE2 3.79Å; L448-F450 HydrophobicContact CD2-CZ 3.55Å; L448-F450 HydrophobicContact CG-CD2 4.47Å; L448-F450 HydrophobicContact CG-CE2 3.8Å; L448-F450 HydrophobicContact CG-CZ 3.98Å
451E96.4Very high95.2Very high170 Ų17091.4 Ų91.479%0.79447%0.472SS*.  trans-112.9133.7176.5-165.253.4-111.600110.4
452K95.4Very high95Very high195 Ų19590.2 Ų90.285%0.84847%0.471SS*.PPolyproline II helixtrans-83.2125.9178.4-73.4-175.6-65.4175.70109
453R96.4Very high94.7Very high125 Ų12593.3 Ų93.347%0.47249%0.49SS..PPolyproline II helixtrans-96.6129.9176.7-66.3175.671.1171.513.1110.7A457 Q458 G461R453-A457 HydrophobicContact CB-CB 4.01Å; R453-A457 HydrophobicContact CG-CB 4.44Å; R453-A457 VanDerWaalsContact CZ-O 3.27Å; R453-A457 PolarHBondContact NE-O 2.98Å; R453-A457 PolarHBondContact NH2-O 3.45Å; R453-Q458 HydrophobicContact CB-CG 3.92Å; R453-Q458 PolarHBondContact O-NE2 3.27Å; R453-G461 VanDerWaalsContact NH2-N 3.19Å
454T97.5Very high94.5Very high96 Ų9698 Ų9859%0.58951%0.512SS*.PPolyproline II helixtrans-62.4167.516864.20000110.5S456 A457 Q458T454-S456 VanDerWaalsContact C-N 3.33Å; T454-S456 PolarHBondContact O-N 3.42Å; T454-A457 PolarHBondContact O-N 3.2Å; T454-A457 WeakPolarHBondContact OG1-CB 3.15Å; T454-A457 PolarHBondContact OG1-N 3.03Å; T454-Q458 WeakPolarHBondContact O-CG 3.4Å; T454-Q458 PolarHBondContact O-N 3.24Å
455M95.4Very high94.3Very high144 Ų14498.4 Ų98.471%0.70954%0.538SS*.Hα-helixtrans-60.5-42.9178.2-67.1-59.6159.600112A457 Q458 M459M455-A457 PolarHBondContact O-N 2.82Å; M455-Q458 WeakPolarHBondContact O-CB 3.25Å; M455-Q458 PolarHBondContact O-N 3.5Å; M455-Q458 VanDerWaalsContact O-N 3.09Å; M455-M459 PolarHBondContact O-N 3.43Å
456S96.4Very high94.1Very high80 Ų8099.9 Ų99.956%0.55954%0.539SS*.Hα-helixtrans-62-42.4175.8-50.20000112.3T454 Q458 M459 E460T454-S456 VanDerWaalsContact C-N 3.33Å; T454-S456 PolarHBondContact O-N 3.42Å; S456-Q458 VanDerWaalsContact C-N 3.25Å; S456-Q458 PolarHBondContact O-N 3.43Å; S456-M459 PolarHBondContact O-N 2.88Å; S456-E460 PolarHBondContact O-N 2.79Å
457A96.4Very high93.9Very high21 Ų21108 Ų10817%0.17457%0.569CS.*Hα-helixtrans-62.9-33174.900000111.5R453 T454 M455 G461R453-A457 HydrophobicContact CB-CB 4.01Å; R453-A457 HydrophobicContact CG-CB 4.44Å; R453-A457 VanDerWaalsContact CZ-O 3.27Å; R453-A457 PolarHBondContact NE-O 2.98Å; R453-A457 PolarHBondContact NH2-O 3.45Å; T454-A457 PolarHBondContact O-N 3.2Å; T454-A457 WeakPolarHBondContact OG1-CB 3.15Å; T454-A457 PolarHBondContact OG1-N 3.03Å; M455-A457 PolarHBondContact O-N 2.82Å; A457-G461 PolarHBondContact O-N 3.03Å; A457-G461 VanDerWaalsContact O-N 3.1Å
458Q93.8Very high93.6Very high100 Ų100107.7 Ų107.747%0.46758%0.578SS.*Hα-helixtrans-69.4-38.9174.9-69.9176.559.400112.5R453 T454 M455 S456 E460 G461 G462R453-Q458 HydrophobicContact CB-CG 3.92Å; R453-Q458 PolarHBondContact O-NE2 3.27Å; T454-Q458 WeakPolarHBondContact O-CG 3.4Å; T454-Q458 PolarHBondContact O-N 3.24Å; M455-Q458 WeakPolarHBondContact O-CB 3.25Å; M455-Q458 PolarHBondContact O-N 3.5Å; M455-Q458 VanDerWaalsContact O-N 3.09Å; S456-Q458 VanDerWaalsContact C-N 3.25Å; S456-Q458 PolarHBondContact O-N 3.43Å; Q458-E460 VanDerWaalsContact C-N 3.33Å; Q458-G461 WeakPolarHBondContact O-CA 3.31Å; Q458-G461 PolarHBondContact O-N 2.91Å; Q458-G462 PolarHBondContact O-N 3.04Å
459M92Very high93.3Very high132 Ų132113.3 Ų113.365%0.6560%0.599SS**Hα-helixtrans-61-42.4173.6-66.9-169.7-68.500111.5M455 S456 G461 G462M455-M459 PolarHBondContact O-N 3.43Å; S456-M459 PolarHBondContact O-N 2.88Å; M459-G461 PolarHBondContact O-N 3.02Å; M459-G462 PolarHBondContact O-N 3.42Å; M459-G462 VanDerWaalsContact O-N 3.14Å
460E94.3Very high92.6Very high131 Ų131110.5 Ų110.561%0.61260%0.599SS**Hα-helixtrans-59.8-32.6171.5178.9-168.1-14400112.4S456 Q458 G462 H464S456-E460 PolarHBondContact O-N 2.79Å; Q458-E460 VanDerWaalsContact C-N 3.33Å; E460-G462 VanDerWaalsContact C-N 3.26Å; E460-G462 PolarHBondContact O-N 2.96Å; E460-H464 VanDerWaalsContact CA-CD2 3.49Å; E460-H464 WeakPolarHBondContact CA-CD2 3.25Å; E460-H464 WeakPolarHBondContact CA-NE2 3.22Å; E460-H464 PolarHBondContact O-CD2 3.32Å; E460-H464 PolarHBondContact O-NE2 3.08Å
461G90.7Very high91.6Very high47 Ų47112.6 Ų112.649%0.48561%0.609SS.*THydrogen-bonded Turntrans-72.8-15.5176.900000115.3R453 A457 Q458 M459R453-G461 VanDerWaalsContact NH2-N 3.19Å; A457-G461 PolarHBondContact O-N 3.03Å; A457-G461 VanDerWaalsContact O-N 3.1Å; Q458-G461 WeakPolarHBondContact O-CA 3.31Å; Q458-G461 PolarHBondContact O-N 2.91Å; M459-G461 PolarHBondContact O-N 3.02Å
462G90Very high90.4Very high44 Ų44110 Ų11045%0.45460%0.6SS.*SBendtrans-87.2-172175.300000112.1Q458 M459 E460 H464Q458-G462 PolarHBondContact O-N 3.04Å; M459-G462 PolarHBondContact O-N 3.42Å; M459-G462 VanDerWaalsContact O-N 3.14Å; E460-G462 VanDerWaalsContact C-N 3.26Å; E460-G462 PolarHBondContact O-N 2.96Å; G462-H464 PolarHBondContact O-CD2 2.85Å
463V89.4Confident89Confident79 Ų79103.2 Ų103.248%0.47958%0.576SS.*SBendtrans-79.6121168.9-178.40000108.4L466 Y469V463-L466 HydrophobicContact CG1-CD1 3.71Å; V463-L466 HydrophobicContact CG1-CG 4.47Å; V463-Y469 HydrophobicContact CB-CD1 4.42Å; V463-Y469 HydrophobicContact CB-CD2 4.42Å; V463-Y469 HydrophobicContact CB-CE1 4.17Å; V463-Y469 HydrophobicContact CB-CE2 4.17Å; V463-Y469 HydrophobicContact CG1-CD1 3.71Å; V463-Y469 HydrophobicContact CG1-CD2 4.06Å; V463-Y469 HydrophobicContact CG1-CE1 3.93Å; V463-Y469 HydrophobicContact CG1-CE2 4.26Å; V463-Y469 HydrophobicContact CG1-CG 3.78Å; V463-Y469 HydrophobicContact CG2-CD2 4.31Å; V463-Y469 HydrophobicContact CG2-CE2 4.09Å
464H91.6Very high87.6Confident116 Ų116100.4 Ų100.454%0.53757%0.567SS.*  trans-143.1160.3179.164.882.7000111.7E460 G462 L466E460-H464 VanDerWaalsContact CA-CD2 3.49Å; E460-H464 WeakPolarHBondContact CA-CD2 3.25Å; E460-H464 WeakPolarHBondContact CA-NE2 3.22Å; E460-H464 PolarHBondContact O-CD2 3.32Å; E460-H464 PolarHBondContact O-NE2 3.08Å; G462-H464 PolarHBondContact O-CD2 2.85Å; H464-L466 PolarHBondContact O-N 3.11Å
465G90.7Very high85.4Confident81 Ų81101.4 Ų101.484%0.83557%0.573SS**SBendtrans77.912.5176.900000115.9
466L91.4Very high83.2Confident111 Ų111103.4 Ų103.458%0.58157%0.573SS**  trans-110.2144.7177.3-59.6178.3000110.9V463 H464V463-L466 HydrophobicContact CG1-CD1 3.71Å; V463-L466 HydrophobicContact CG1-CG 4.47Å; H464-L466 PolarHBondContact O-N 3.11Å
467H89.2Confident80.3Confident197 Ų197104.4 Ų104.491%0.91258%0.579SS**SBendtrans-67.1-40.6172175.4-86.5000111.9
468S90.9Very high77.4Confident94 Ų94106.1 Ų106.166%0.65760%0.599SS**  trans-154.8154.6173.357.40000110.6
469Y88.2Confident74.6Confident146 Ų146108.2 Ų108.257%0.57361%0.607SS**  trans-149158.5174.571.5-83000110.7V463 F471V463-Y469 HydrophobicContact CB-CD1 4.42Å; V463-Y469 HydrophobicContact CB-CD2 4.42Å; V463-Y469 HydrophobicContact CB-CE1 4.17Å; V463-Y469 HydrophobicContact CB-CE2 4.17Å; V463-Y469 HydrophobicContact CG1-CD1 3.71Å; V463-Y469 HydrophobicContact CG1-CD2 4.06Å; V463-Y469 HydrophobicContact CG1-CE1 3.93Å; V463-Y469 HydrophobicContact CG1-CE2 4.26Å; V463-Y469 HydrophobicContact CG1-CG 3.78Å; V463-Y469 HydrophobicContact CG2-CD2 4.31Å; V463-Y469 HydrophobicContact CG2-CE2 4.09Å; Y469-F471 HydrophobicContact CE2-CB 4.25Å
470S83.1Confident71.6Confident105 Ų105109.2 Ų109.273%0.73462%0.615SS**  trans-116.3134.2171.360.20000109.8
471F75.3Confident68.8Low150 Ų150112.5 Ų112.566%0.65863%0.63SS**  trans-110.2110.2176.8-176.1-99.9000109.6Y469 P473Y469-F471 HydrophobicContact CE2-CB 4.25Å; F471-P473 HydrophobicContact CE1-CB 3.89Å; F471-P473 HydrophobicContact CE1-CG 4.4Å; F471-P473 HydrophobicContact CZ-CB 4.33Å
472L71.1Confident66Low117 Ų117114.8 Ų114.861%0.61365%0.645SS**  trans-114.1105.6174.5-71.3170.1000107.9F474L472-F474 PolarHBondContact O-N 3.23Å
473P65.4Low63.2Low52 Ų52116.8 Ų116.834%0.33867%0.665SS.*SBendtrans-65.6-22.7-170.222.1-31.4000113.7Y419 F471Y419-P473 WeakPolarHBondContact CD2-O 3.26Å; Y419-P473 HydrophobicContact CE1-CB 4.29Å; Y419-P473 WeakPolarHBondContact CE2-O 3.35Å; F471-P473 HydrophobicContact CE1-CB 3.89Å; F471-P473 HydrophobicContact CE1-CG 4.4Å; F471-P473 HydrophobicContact CZ-CB 4.33Å
474F66.9Low60.3Low66 Ų66116.7 Ų116.729%0.28968%0.68SS.*SBendtrans-158160174.956.9-84.8000111.1K415 F416 Y419 L472 R476K415-F474 HydrophobicContact CB-CE2 4.28Å; F416-F474 AromaticContact CD2-CE1 3.93Å; F416-F474 HydrophobicContact CD2-CE1 3.93Å; Y419-F474 HydrophobicContact CD1-CD1 4.39Å; Y419-F474 HydrophobicContact CD2-CB 4.02Å; Y419-F474 HydrophobicContact CD2-CD1 4.43Å; Y419-F474 HydrophobicContact CG-CB 4.36Å; Y419-F474 HydrophobicContact CG-CD1 4.08Å; L472-F474 PolarHBondContact O-N 3.23Å; F474-R476 PolarHBondContact O-N 2.8Å
475T51.5Low57.6Low117 Ų117123.8 Ų123.872%0.71870%0.703SS**  trans-64.4126.2-179.247.60000111.6S477T475-S477 PolarHBondContact O-N 2.61Å
476R48.9Very low54.6Low185 Ų185123.4 Ų123.470%0.69870%0.698SS**  trans-75.536.8174.4-69.4-173.8176.3179.9-0.4113.2F474 G478 F479F474-R476 PolarHBondContact O-N 2.8Å; R476-G478 PolarHBondContact O-N 3.43Å; R476-F479 HydrophobicContact CB-CD2 4.44Å
477S36.1Very low51.7Low101 Ų101121.9 Ų121.971%0.70671%0.709SS**THydrogen-bonded Turntrans-67.2105.5174.952.10000109.1T475T475-S477 PolarHBondContact O-N 2.61Å
478G35.3Very low48.8Very low57 Ų57121.8 Ų121.859%0.58871%0.712SS**THydrogen-bonded Turntrans124.39.2176.400000116.5R476 N480R476-G478 PolarHBondContact O-N 3.43Å; G478-N480 PolarHBondContact O-N 3.25Å
479F34.6Very low45.9Very low144 Ų144128.8 Ų128.863%0.63272%0.724SS**  trans-85.192.1154.4-84.5-86.2000107.3R476 E481R476-F479 HydrophobicContact CB-CD2 4.44Å; F479-E481 PolarHBondContact O-N 3.32Å; F479-E481 VanDerWaalsContact O-N 3.11Å
480N30.1Very low43.2Very low153 Ų153127.8 Ų127.882%0.81874%0.738SS**  trans-65.5108.4161.2-86-10.1000106.6G478 A482G478-N480 PolarHBondContact O-N 3.25Å; N480-A482 PolarHBondContact O-N 3.37Å
481E34.8Very low40.5Very low200 Ų200126.2 Ų126.294%0.93574%0.739SS**  trans-6583.2155.1-78.4-175.4164.400107.5F479F479-E481 PolarHBondContact O-N 3.32Å; F479-E481 VanDerWaalsContact O-N 3.11Å
482A30.8Very low38.9Very low95 Ų95124.5 Ų124.579%0.78574%0.743SS**  trans-88.6108.9164.900000108N480N480-A482 PolarHBondContact O-N 3.37Å
483G32.8Very low36.8Very low86 Ų86126.3 Ų126.389%0.88775%0.753SS**SBendtrans107.283.3157.500000115.7
484G27.3Very low35.3Very low77 Ų77130.2 Ų130.279%0.79478%0.775SS**  trans-169.436171.300000114.7G486G484-G486 VanDerWaalsContact C-N 3.35Å; G484-G486 PolarHBondContact O-N 3.25Å
485R35.1Very low33.5Very low266 Ų266132.7 Ų132.7100%1.00480%0.798SS**  trans-80.689.6162.1-79.5-171.4-175.6-175.22.1108.2
486G28.7Very low32.6Very low72 Ų72132.9 Ų132.974%0.74280%0.799SS**  trans-141.9104.7166.600000107.7G484G484-G486 VanDerWaalsContact C-N 3.35Å; G484-G486 PolarHBondContact O-N 3.25Å
487G29.6Very low31.8Very low79 Ų79130.2 Ų130.281%0.81481%0.806SS**  trans-65.7149-173.300000113.4
488M29.4Very low31.4Very low195 Ų195130 Ų13096%0.96181%0.81SS**  trans-143.2140.5150.6-116.2176.2178.500110.4
489R29.2Very low31.1Very low242 Ų242132.1 Ų132.191%0.91382%0.822SS**  trans-73.8158.1-164.1-67.4170.2171.4-174.5-4112.4
490S31Very low30.8Very low124 Ų124134.5 Ų134.587%0.86784%0.838SS**  trans-41.4136.2160.450.90000115.2
491G26.3Very low30.7Very low73 Ų73132.4 Ų132.475%0.75384%0.835SS**  trans163.8142.2157.700000113.6
492P42.6Very low30.6Very low114 Ų114133.9 Ų133.974%0.7483%0.832SS**  trans-102157.8-144.538.4-32.3000114.5
493N27.5Very low30.4Very low155 Ų155135.6 Ų135.683%0.82984%0.837SS**  174.7117127.6-88.7-23.8000110.9
494V33.4Very low30.5Very low133 Ų133139.2 Ų139.281%0.80684%0.836SS**PPolyproline II helixtrans-84.9127.8166176.10000107.5
495P28.2Very low30.5Very low119 Ų119138.4 Ų138.477%0.77383%0.828SS**PPolyproline II helixtrans-94.2116.1152.94.715.1000108.4
496T32.3Very low30.6Very low121 Ų121134.2 Ų134.274%0.74282%0.824SS**PPolyproline II helixtrans-51.5144.816222.10000111.1A498T496-A498 PolarHBondContact O-N 3.2Å
497P32.6Very low31Very low129 Ų129143.1 Ų143.184%0.83885%0.85SS**PPolyproline II helixtrans-66.2122.4172.5-13.127.2000110A499P497-A499 PolarHBondContact O-N 2.89Å
498A27.4Very low31.1Very low96 Ų96146.3 Ų146.379%0.79385%0.851SS**PPolyproline II helixtrans-60.6130.3167.700000109.6T496 M500T496-A498 PolarHBondContact O-N 3.2Å; A498-M500 PolarHBondContact O-N 3.49Å
499A29Very low31.1Very low102 Ų102143.7 Ų143.784%0.84385%0.846SS**  trans-57.2115.4170.900000110P497 S501P497-A499 PolarHBondContact O-N 2.89Å; A499-S501 PolarHBondContact O-N 3.44Å
500M28Very low31.3Very low194 Ų194138.3 Ų138.396%0.95684%0.842SS**  trans-81.5113.1160.3-92.4-172.2177.100109A498A498-M500 PolarHBondContact O-N 3.49Å
501S28.8Very low31.3Very low109 Ų109139.1 Ų139.176%0.76284%0.84SS**  trans-51.6139.1174.951.20000113.1A499A499-S501 PolarHBondContact O-N 3.44Å
502R32.2Very low31.6Very low230 Ų230143.3 Ų143.387%0.86885%0.846SS**  trans-48.5136159.2-61.3175.5-176.2-166.5-0.9110.5
503C27.8Very low30.8Very low132 Ų132145.2 Ų145.289%0.89285%0.853SS**  trans-125.4106.2146.1-101.60000108
504N33.6Very low31.1Very low161 Ų161144.5 Ų144.586%0.86186%0.855SS**  trans-78.5145.8158.1-85.4-13.5000109
505G29Very low30.9Very low61 Ų61145.4 Ų145.463%0.62986%0.858SS**  trans168.595.916100000108.7
506L36.7Very low31.1Very low178 Ų178147.6 Ų147.693%0.93287%0.866SS**  58.2118.793.7-72.2159.2000110.7
507M36.3Very low31Very low258 Ų258150 Ų150100%1.27188%0.877SS**  cis-131.5021.7-74.5178.1179.300112

Retrieved 507 of 507 residues in 1524.5 ms (Link to these results)

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