A0A096M7T1_POEFO Loading...

Nuclear protein localization protein 4 homolog

The ternary complex containing UFD1, VCP and NPLOC4 binds ubiquitinated proteins and is necessary for the export of misfolded proteins from the ER to the cytoplasm, where they are degraded by the proteasome. The NPLOC4-UFD1-VCP complex regulates spindle disassembly at the end of mitosis and is necessary for the formation of a closed nuclear envelope. Acts as a negative regulator of type I interferon production via the complex formed with VCP and UFD1, which binds to RIGI and recruits RNF125 to promote ubiquitination and degradation of RIGI.

AlphaFold DB , UniProt , Accession A0A096M7T1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 630 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
1M44.3Very low79Confident248 Ų24869 Ų69100%1.22237%0.373SS*.  0123.50-74.9173.2176.400107.2
2G53.7Low78.6Confident68 Ų6871 Ų7170%0.70139%0.392SS*.  trans-65.1136.7-154.800000115.3N4G2-N4 PolarHBondContact O-N 3.36Å
3D69.9Low78.1Confident77 Ų7776.1 Ų76.141%0.41242%0.418SS..  trans-70.544.3169.4-87.7-39.6000111.9T21 K22D3-T21 VanDerWaalsContact O-CA 3.31Å; D3-T21 WeakPolarHBondContact O-CA 3.44Å; D3-K22 HydrophobicContact CB-CB 4.34Å; D3-K22 HydrophobicContact CB-CD 4.26Å; D3-K22 HydrophobicContact CB-CG 4.22Å; D3-K22 PolarHBondContact O-N 3Å; D3-K22 WeakPolarHBondContact OD1-CD 3.42Å; D3-K22 WeakPolarHBondContact OD1-CE 3.3Å; D3-K22 IonicContact OD1-NZ 3.77Å; D3-K22 PolarHBondContact OD1-NZ 2.8Å
4N81.6Confident78.2Confident123 Ų12373.1 Ų73.166%0.65841%0.413SS*.EExtended strand (participates in β ladder)trans-76.4124176.6-75.7-4.3000109.1G2 S20G2-N4 PolarHBondContact O-N 3.36Å; N4-S20 WeakPolarHBondContact CA-O 3.43Å
5I87.6Confident78.7Confident5 Ų574.1 Ų74.13%0.02642%0.415CS..EExtended strand (participates in β ladder)trans-117.7146.6174.963.2172.9000109.7I7 S20 K22 L63 H70I5-I7 HydrophobicContact CD1-CD1 4.02Å; I5-I7 HydrophobicContact CD1-CG1 4.37Å; I5-S20 PolarHBondContact N-O 3.26Å; I5-S20 PolarHBondContact O-N 2.94Å; I5-K22 HydrophobicContact CD1-CG 4.47Å; I5-K22 HydrophobicContact CG2-CG 3.65Å; I5-L63 HydrophobicContact CD1-CD1 4.38Å; I5-H70 WeakPolarHBondContact CA-ND1 3.17Å; I5-H70 HydrophobicContact CB-CB 4.02Å; I5-H70 HydrophobicContact CG2-CB 3.92Å
6I87.9Confident79.2Confident72 Ų7274.9 Ų74.937%0.36941%0.412SS..EExtended strand (participates in β ladder)trans-112.1124.5174.8-60.9174.7000106.8K17 H70 G71I6-K17 HydrophobicContact CG2-CB 3.76Å; I6-K17 HydrophobicContact CG2-CD 4.37Å; I6-K17 HydrophobicContact CG2-CG 4.1Å; I6-H70 PolarHBondContact N-ND1 3.28Å; I6-H70 VanDerWaalsContact N-ND1 3.15Å; I6-G71 PolarHBondContact O-N 3.3Å
7I90.7Very high79.8Confident0 Ų079.2 Ų79.20%043%0.426CS..EExtended strand (participates in β ladder)trans-111.4130.9178-61.7162.8000107.7I5 V9 I18 F29 L63 I68 L74I5-I7 HydrophobicContact CD1-CD1 4.02Å; I5-I7 HydrophobicContact CD1-CG1 4.37Å; I7-V9 HydrophobicContact CG2-CG2 4.46Å; I7-I18 PolarHBondContact N-O 3.42Å; I7-I18 PolarHBondContact O-N 3.5Å; I7-F29 HydrophobicContact CB-CE2 4.05Å; I7-F29 HydrophobicContact CB-CZ 4.05Å; I7-F29 HydrophobicContact CD1-CD2 4.17Å; I7-F29 HydrophobicContact CD1-CE2 3.59Å; I7-F29 HydrophobicContact CD1-CZ 3.91Å; I7-F29 HydrophobicContact CG1-CE2 4.41Å; I7-F29 HydrophobicContact CG2-CE2 4.29Å; I7-F29 HydrophobicContact CG2-CZ 3.76Å; I7-L63 HydrophobicContact CD1-CD1 3.79Å; I7-I68 HydrophobicContact CD1-CG2 3.59Å; I7-I68 HydrophobicContact CG1-CG2 3.96Å; I7-I68 HydrophobicContact CG2-CG2 4.39Å; I7-L74 HydrophobicContact CG2-CD1 3.68Å; I7-L74 HydrophobicContact CG2-CG 3.87Å
8R90.4Very high80.4Confident92 Ų9274.8 Ų74.835%0.34740%0.403SS..EExtended strand (participates in β ladder)trans-89.3128.8177-68.9178.6-70.4171.7-1.3108.4M15 K16 K17 G71 D72 M73 L74R8-M15 HydrophobicContact CB-CG 4.42Å; R8-M15 HydrophobicContact CB-SD 4.12Å; R8-M15 HydrophobicContact CG-SD 4.33Å; R8-K16 WeakPolarHBondContact CA-O 3.49Å; R8-K17 HydrophobicContact CG-CG 4.01Å; R8-G71 PolarHBondContact NE-O 3.27Å; R8-G71 VanDerWaalsContact NE-O 3.1Å; R8-G71 PolarHBondContact NH2-O 3.1Å; R8-D72 PolarHBondContact N-O 3.25Å; R8-M73 CarbonylContact O-C 3.3Å; R8-M73 VanDerWaalsContact O-CA 3.31Å; R8-M73 WeakPolarHBondContact O-CA 3.45Å; R8-L74 PolarHBondContact O-N 2.68Å
9V90.1Very high80.8Confident0 Ų075.5 Ų75.50%041%0.411CS..EExtended strand (participates in β ladder)trans-118.2125.2174.4-176.20000108.1I7 M15 K16 I18 F29 V33 F37 L74 L76I7-V9 HydrophobicContact CG2-CG2 4.46Å; V9-M15 CarbonylContact O-C 3.55Å; V9-M15 WeakPolarHBondContact O-CA 3.49Å; V9-K16 PolarHBondContact N-O 3.39Å; V9-K16 PolarHBondContact O-N 2.93Å; V9-I18 HydrophobicContact CB-CD1 4.3Å; V9-I18 HydrophobicContact CG2-CD1 3.66Å; V9-I18 HydrophobicContact CG2-CG1 4.26Å; V9-F29 HydrophobicContact CG2-CZ 4.17Å; V9-V33 HydrophobicContact CG1-CG1 4.28Å; V9-V33 HydrophobicContact CG2-CG2 4.39Å; V9-F37 HydrophobicContact CB-CE2 3.89Å; V9-F37 HydrophobicContact CB-CZ 4.09Å; V9-F37 HydrophobicContact CG1-CE2 3.88Å; V9-F37 HydrophobicContact CG1-CZ 4.09Å; V9-F37 WeakPolarHBondContact O-CZ 3.49Å; V9-L74 CarbonylContact C-O 3.55Å; V9-L74 WeakPolarHBondContact CA-O 3.39Å; V9-L74 HydrophobicContact CG2-CB 4.36Å; V9-L76 HydrophobicContact CG1-CB 3.83Å; V9-L76 HydrophobicContact CG1-CD1 4.42Å
10Q86.8Confident81.1Confident66 Ų6671.9 Ų71.931%0.30839%0.392SS..EExtended strand (participates in β ladder)trans-105.4121.5177.2-174.3175.628.200109.4M15 L74 F75 L76Q10-M15 HydrophobicContact CB-CE 4.41Å; Q10-L74 PolarHBondContact N-O 2.93Å; Q10-F75 HydrophobicContact CB-CD1 4.31Å; Q10-F75 WeakPolarHBondContact O-CA 3.27Å; Q10-L76 PolarHBondContact O-N 2.79Å
11S85.6Confident81.3Confident8 Ų871.1 Ų71.16%0.05639%0.389CS..EExtended strand (participates in β ladder)trans-106.6172.2168.373.60000110.1D13 G14 F37S11-D13 PolarHBondContact O-N 3.3Å; S11-D13 PolarHBondContact OG-N 3.2Å; S11-G14 PolarHBondContact N-O 3.33Å; S11-G14 PolarHBondContact O-N 2.93Å; S11-G14 PolarHBondContact OG-N 3.49Å; S11-G14 PolarHBondContact OG-O 3.45Å; S11-F37 VanDerWaalsContact OG-CE1 3.29Å; S11-F37 WeakPolarHBondContact OG-CE1 3.11Å
12P74.6Confident82.8Confident93 Ų9363.5 Ų63.560%0.60435%0.349SS*.THydrogen-bonded Turntrans-54.5-29.7170.2-26.836.7000113.5
13D72.3Confident84.1Confident137 Ų13770.2 Ų70.273%0.73335%0.354SS*.THydrogen-bonded Turntrans-90.4-2.1-176.9-47.7-52000113.9S11S11-D13 PolarHBondContact O-N 3.3Å; S11-D13 PolarHBondContact OG-N 3.2Å
14G79Confident84.8Confident34 Ų3467.5 Ų67.535%0.35134%0.339SS..EExtended strand (participates in β ladder)trans138-173.3175.800000115.1S11S11-G14 PolarHBondContact N-O 3.33Å; S11-G14 PolarHBondContact O-N 2.93Å; S11-G14 PolarHBondContact OG-N 3.49Å; S11-G14 PolarHBondContact OG-O 3.45Å
15M86.4Confident85.1Confident89 Ų8963.4 Ų63.444%0.43832%0.318SS..EExtended strand (participates in β ladder)trans-112.9130.8-176.8-172.1-174.6-61.300111.5R8 V9 Q10 M73R8-M15 HydrophobicContact CB-CG 4.42Å; R8-M15 HydrophobicContact CB-SD 4.12Å; R8-M15 HydrophobicContact CG-SD 4.33Å; V9-M15 CarbonylContact O-C 3.55Å; V9-M15 WeakPolarHBondContact O-CA 3.49Å; Q10-M15 HydrophobicContact CB-CE 4.41Å; M15-M73 HydrophobicContact CE-CE 3.36Å; M15-M73 HydrophobicContact CE-SD 3.86Å; M15-M73 HydrophobicContact SD-CE 4.01Å
16K86.4Confident85Confident86 Ų8663.1 Ų63.137%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-120.4148.4173.5-61.1-171.1177.6-168.60111.5R8 V9 E36 F37R8-K16 WeakPolarHBondContact CA-O 3.49Å; V9-K16 PolarHBondContact N-O 3.39Å; V9-K16 PolarHBondContact O-N 2.93Å; K16-E36 HydrophobicContact CD-CB 4.34Å; K16-E36 PolarHBondContact NZ-O 2.94Å; K16-F37 HydrophobicContact CB-CE1 4.34Å; K16-F37 HydrophobicContact CB-CE2 3.9Å; K16-F37 HydrophobicContact CB-CZ 3.58Å; K16-F37 HydrophobicContact CD-CD1 4.29Å; K16-F37 HydrophobicContact CD-CD2 4.44Å; K16-F37 HydrophobicContact CD-CE1 3.99Å; K16-F37 HydrophobicContact CD-CE2 4.15Å; K16-F37 HydrophobicContact CD-CZ 3.93Å; K16-F37 HydrophobicContact CG-CE1 3.91Å; K16-F37 HydrophobicContact CG-CE2 4.23Å; K16-F37 HydrophobicContact CG-CZ 3.66Å
17K89.6Confident84.9Confident148 Ų14860.4 Ų60.464%0.64331%0.305SS*.EExtended strand (participates in β ladder)trans-100.3115.1176.5-74.2177.1-176.7178.30108.8I6 R8I6-K17 HydrophobicContact CG2-CB 3.76Å; I6-K17 HydrophobicContact CG2-CD 4.37Å; I6-K17 HydrophobicContact CG2-CG 4.1Å; R8-K17 HydrophobicContact CG-CG 4.01Å
18I90.1Very high84.7Confident1 Ų163.3 Ų63.31%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-101.5116.5-178.1-56.5-177.2000109.2I7 V9 F29 K32 V33 F37I7-I18 PolarHBondContact N-O 3.42Å; I7-I18 PolarHBondContact O-N 3.5Å; V9-I18 HydrophobicContact CB-CD1 4.3Å; V9-I18 HydrophobicContact CG2-CD1 3.66Å; V9-I18 HydrophobicContact CG2-CG1 4.26Å; I18-F29 HydrophobicContact CB-CE2 4.19Å; I18-F29 HydrophobicContact CG2-CD2 4.38Å; I18-F29 HydrophobicContact CG2-CE2 3.92Å; I18-K32 HydrophobicContact CG2-CB 4.13Å; I18-K32 HydrophobicContact CG2-CD 4.46Å; I18-V33 HydrophobicContact CD1-CB 3.92Å; I18-V33 HydrophobicContact CD1-CG1 4.29Å; I18-V33 HydrophobicContact CD1-CG2 3.34Å; I18-F37 HydrophobicContact CD1-CE2 4.41Å
19P88.4Confident84.6Confident87 Ų8759 Ų5957%0.56531%0.306SS*.EExtended strand (participates in β ladder)trans-73.413017329.8-32.3000110.3K32P19-K32 PolarHBondContact O-NZ 2.98Å
20S86.8Confident84.5Confident4 Ų459.9 Ų59.93%0.02831%0.311CS..EExtended strand (participates in β ladder)trans-144.2176.3-178.5-70.30000111.2N4 I5 E24 F29N4-S20 WeakPolarHBondContact CA-O 3.43Å; I5-S20 PolarHBondContact N-O 3.26Å; I5-S20 PolarHBondContact O-N 2.94Å; S20-E24 WeakPolarHBondContact CA-OE2 3.44Å; S20-E24 VanDerWaalsContact CB-OE2 3.28Å; S20-E24 WeakPolarHBondContact CB-OE2 3.21Å; S20-E24 PolarHBondContact OG-OE2 3.06Å; S20-F29 VanDerWaalsContact OG-CD2 3.26Å; S20-F29 WeakPolarHBondContact OG-CD2 3.29Å
21T85.1Confident84.5Confident55 Ų5563.6 Ų63.634%0.33733%0.326SS..EExtended strand (participates in β ladder)trans-120.5151.9174.465.60000111.3D3 R23 E24D3-T21 VanDerWaalsContact O-CA 3.31Å; D3-T21 WeakPolarHBondContact O-CA 3.44Å; T21-R23 PolarHBondContact O-N 2.89Å; T21-R23 VanDerWaalsContact O-N 3.09Å; T21-E24 PolarHBondContact N-OE2 3.23Å; T21-E24 VanDerWaalsContact N-OE2 3.16Å; T21-E24 WeakPolarHBondContact O-CB 3.33Å; T21-E24 PolarHBondContact O-N 3.15Å; T21-E24 PolarHBondContact OG1-N 3.45Å
22K76.8Confident84.6Confident88 Ų8867.1 Ų67.138%0.38334%0.341SS..THydrogen-bonded Turntrans-57.6-27.4-178.3-66.7-177-171.1151.70114D3 I5 N64D3-K22 HydrophobicContact CB-CB 4.34Å; D3-K22 HydrophobicContact CB-CD 4.26Å; D3-K22 HydrophobicContact CB-CG 4.22Å; D3-K22 PolarHBondContact O-N 3Å; D3-K22 WeakPolarHBondContact OD1-CD 3.42Å; D3-K22 WeakPolarHBondContact OD1-CE 3.3Å; D3-K22 IonicContact OD1-NZ 3.77Å; D3-K22 PolarHBondContact OD1-NZ 2.8Å; I5-K22 HydrophobicContact CD1-CG 4.47Å; I5-K22 HydrophobicContact CG2-CG 3.65Å; K22-N64 WeakPolarHBondContact O-CB 3.48Å; K22-N64 PolarHBondContact O-N 3.37Å
23R80.2Confident85.2Confident209 Ų20962.7 Ų62.779%0.78931%0.312SS*.THydrogen-bonded Turntrans-92.7-5.1179.9-62.3-174.6-174-175.70.5113.6T21T21-R23 PolarHBondContact O-N 2.89Å; T21-R23 VanDerWaalsContact O-N 3.09Å
24E84.8Confident85.9Confident21 Ų2156.5 Ų56.510%0.09828%0.28CS..  trans-62.9142.2178.1-169163.9-18000110.7S20 T21 T28 K32 S62 L63S20-E24 WeakPolarHBondContact CA-OE2 3.44Å; S20-E24 VanDerWaalsContact CB-OE2 3.28Å; S20-E24 WeakPolarHBondContact CB-OE2 3.21Å; S20-E24 PolarHBondContact OG-OE2 3.06Å; T21-E24 PolarHBondContact N-OE2 3.23Å; T21-E24 VanDerWaalsContact N-OE2 3.16Å; T21-E24 WeakPolarHBondContact O-CB 3.33Å; T21-E24 PolarHBondContact O-N 3.15Å; T21-E24 PolarHBondContact OG1-N 3.45Å; E24-T28 WeakPolarHBondContact CG-OG1 3.49Å; E24-K32 WeakPolarHBondContact OE1-CD 3.39Å; E24-K32 WeakPolarHBondContact OE1-CE 3.11Å; E24-K32 IonicContact OE1-NZ 3.05Å; E24-K32 PolarHBondContact OE1-NZ 2.92Å; E24-K32 IonicContact OE2-NZ 2.81Å; E24-K32 PolarHBondContact OE2-NZ 3.23Å; E24-S62 CarbonylContact O-C 3.56Å; E24-S62 VanDerWaalsContact O-CA 3.25Å; E24-S62 WeakPolarHBondContact O-CA 3.22Å; E24-L63 HydrophobicContact CB-CD1 4.15Å; E24-L63 WeakPolarHBondContact O-CG 3.44Å; E24-L63 PolarHBondContact O-N 3.12Å
25T87.9Confident86.2Confident36 Ų3663.6 Ų63.622%0.22130%0.301CS..BIsolated β-bridgetrans-83.1154.6179.665.40000111.2A27 T28 F29 K61T25-A27 PolarHBondContact O-N 2.95Å; T25-T28 PolarHBondContact N-OG1 3.2Å; T25-T28 VanDerWaalsContact N-OG1 3.16Å; T25-T28 PolarHBondContact O-N 3.09Å; T25-T28 PolarHBondContact O-OG1 3.46Å; T25-T28 PolarHBondContact OG1-N 2.94Å; T25-T28 PolarHBondContact OG1-OG1 3.16Å; T25-F29 WeakPolarHBondContact O-CB 3.4Å; T25-F29 PolarHBondContact O-N 3.25Å; T25-K61 CarbonylContact C-O 3.03Å; T25-K61 WeakPolarHBondContact CA-O 3.37Å
26A85.2Confident86.2Confident0 Ų063.7 Ų63.70%030%0.3CS..Hα-helixtrans-58.1-38.3176.800000112T28 F29 L30 V56 K61 L66A26-T28 PolarHBondContact O-N 3Å; A26-F29 PolarHBondContact O-N 3.4Å; A26-L30 WeakPolarHBondContact O-CB 3.43Å; A26-L30 VanDerWaalsContact O-CG 3.29Å; A26-L30 WeakPolarHBondContact O-CG 3.43Å; A26-L30 PolarHBondContact O-N 3.25Å; A26-V56 HydrophobicContact CB-CG1 4.14Å; A26-K61 PolarHBondContact N-O 3.27Å; A26-L66 HydrophobicContact CB-CD1 3.58Å
27A85.1Confident86Confident14 Ų1461.1 Ų61.112%0.11629%0.289CS..Hα-helixtrans-61.6-42.6175.800000113.2T25 K31 Q59T25-A27 PolarHBondContact O-N 2.95Å; A27-K31 WeakPolarHBondContact O-CG 3.25Å; A27-K31 PolarHBondContact O-N 3.02Å; A27-Q59 PolarHBondContact N-O 3.06Å
28T86.1Confident85.5Confident62 Ų6257.3 Ų57.338%0.3829%0.292SS..Hα-helixtrans-70.9-36.4176.546.50000112.2E24 T25 A26 K31 K32E24-T28 WeakPolarHBondContact CG-OG1 3.49Å; T25-T28 PolarHBondContact N-OG1 3.2Å; T25-T28 VanDerWaalsContact N-OG1 3.16Å; T25-T28 PolarHBondContact O-N 3.09Å; T25-T28 PolarHBondContact O-OG1 3.46Å; T25-T28 PolarHBondContact OG1-N 2.94Å; T25-T28 PolarHBondContact OG1-OG1 3.16Å; A26-T28 PolarHBondContact O-N 3Å; T28-K31 PolarHBondContact O-N 3.34Å; T28-K32 PolarHBondContact O-N 3.47Å
29F89.2Confident84.9Confident0 Ų059.3 Ų59.30%030%0.301CS..Hα-helixtrans-63.3-48.5175.6176.2-106.4000111.9I7 V9 I18 S20 T25 A26 K31 K32 V33 L63 L74I7-F29 HydrophobicContact CB-CE2 4.05Å; I7-F29 HydrophobicContact CB-CZ 4.05Å; I7-F29 HydrophobicContact CD1-CD2 4.17Å; I7-F29 HydrophobicContact CD1-CE2 3.59Å; I7-F29 HydrophobicContact CD1-CZ 3.91Å; I7-F29 HydrophobicContact CG1-CE2 4.41Å; I7-F29 HydrophobicContact CG2-CE2 4.29Å; I7-F29 HydrophobicContact CG2-CZ 3.76Å; V9-F29 HydrophobicContact CG2-CZ 4.17Å; I18-F29 HydrophobicContact CB-CE2 4.19Å; I18-F29 HydrophobicContact CG2-CD2 4.38Å; I18-F29 HydrophobicContact CG2-CE2 3.92Å; S20-F29 VanDerWaalsContact OG-CD2 3.26Å; S20-F29 WeakPolarHBondContact OG-CD2 3.29Å; T25-F29 WeakPolarHBondContact O-CB 3.4Å; T25-F29 PolarHBondContact O-N 3.25Å; A26-F29 PolarHBondContact O-N 3.4Å; F29-K31 VanDerWaalsContact C-N 3.28Å; F29-K31 PolarHBondContact O-N 2.98Å; F29-K32 WeakPolarHBondContact O-CA 3.46Å; F29-K32 WeakPolarHBondContact O-CB 3.45Å; F29-K32 PolarHBondContact O-N 3.35Å; F29-V33 HydrophobicContact CD1-CG2 4.08Å; F29-V33 HydrophobicContact CE1-CG2 3.71Å; F29-V33 HydrophobicContact CE2-CG2 4.3Å; F29-V33 HydrophobicContact CZ-CG2 3.83Å; F29-V33 VanDerWaalsContact O-CG2 3.31Å; F29-V33 WeakPolarHBondContact O-CG2 3.41Å; F29-V33 PolarHBondContact O-N 2.79Å; F29-L63 HydrophobicContact CB-CD1 4.18Å; F29-L63 HydrophobicContact CB-CD2 3.95Å; F29-L63 HydrophobicContact CB-CG 4.44Å; F29-L63 HydrophobicContact CD1-CD2 4.04Å; F29-L63 HydrophobicContact CD2-CD1 4.04Å; F29-L63 HydrophobicContact CG-CD1 4.14Å; F29-L63 HydrophobicContact CG-CD2 3.91Å; F29-L74 HydrophobicContact CE1-CD1 3.59Å; F29-L74 HydrophobicContact CZ-CD1 3.85Å
30L88.6Confident83.9Confident19 Ų1962 Ų6210%0.09931%0.31CS..Hα-helixtrans-61.5-34.8177.6-69.9169.7000112.2A26 K32 V33 A34 F44 V46 V56A26-L30 WeakPolarHBondContact O-CB 3.43Å; A26-L30 VanDerWaalsContact O-CG 3.29Å; A26-L30 WeakPolarHBondContact O-CG 3.43Å; A26-L30 PolarHBondContact O-N 3.25Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.04Å; L30-V33 WeakPolarHBondContact O-CB 3.21Å; L30-V33 PolarHBondContact O-N 2.99Å; L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 3.47Å; L30-F44 HydrophobicContact CD2-CE2 4.13Å; L30-F44 WeakPolarHBondContact O-CZ 3.38Å; L30-V46 HydrophobicContact CD2-CB 3.92Å; L30-V46 HydrophobicContact CD2-CG2 3.65Å; L30-V56 WeakPolarHBondContact CD1-O 3.44Å; L30-V56 HydrophobicContact CD2-CG1 4.4Å
31K86.7Confident82.7Confident145 Ų14566.1 Ų66.163%0.6334%0.339SS*.Hα-helixtrans-63.3-37.4172.4-74178.8-179.5-176.80112.7A27 T28 F29 K35A27-K31 WeakPolarHBondContact O-CG 3.25Å; A27-K31 PolarHBondContact O-N 3.02Å; T28-K31 PolarHBondContact O-N 3.34Å; F29-K31 VanDerWaalsContact C-N 3.28Å; F29-K31 PolarHBondContact O-N 2.98Å; K31-K35 WeakPolarHBondContact O-CB 3.26Å; K31-K35 PolarHBondContact O-N 3.22Å
32K87.7Confident81.7Confident82 Ų8270.7 Ų70.736%0.35736%0.361SS..Hα-helixtrans-67.4-40.7173.1-71.8178.7177.4169.90111.6I18 P19 E24 T28 F29 L30 K35 E36I18-K32 HydrophobicContact CG2-CB 4.13Å; I18-K32 HydrophobicContact CG2-CD 4.46Å; P19-K32 PolarHBondContact O-NZ 2.98Å; E24-K32 WeakPolarHBondContact OE1-CD 3.39Å; E24-K32 WeakPolarHBondContact OE1-CE 3.11Å; E24-K32 IonicContact OE1-NZ 3.05Å; E24-K32 PolarHBondContact OE1-NZ 2.92Å; E24-K32 IonicContact OE2-NZ 2.81Å; E24-K32 PolarHBondContact OE2-NZ 3.23Å; T28-K32 PolarHBondContact O-N 3.47Å; F29-K32 WeakPolarHBondContact O-CA 3.46Å; F29-K32 WeakPolarHBondContact O-CB 3.45Å; F29-K32 PolarHBondContact O-N 3.35Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.04Å; K32-K35 PolarHBondContact O-N 3.49Å; K32-E36 WeakPolarHBondContact O-CB 3.19Å; K32-E36 WeakPolarHBondContact O-CG 3.19Å; K32-E36 PolarHBondContact O-N 3.48Å
33V87.8Confident81.5Confident0 Ų067.1 Ų67.10%035%0.35CS..Hα-helixtrans-59.1-48.9174.1-1800000110.4V9 I18 F29 L30 K35 E36 F37 F44 V46 L76V9-V33 HydrophobicContact CG1-CG1 4.28Å; V9-V33 HydrophobicContact CG2-CG2 4.39Å; I18-V33 HydrophobicContact CD1-CB 3.92Å; I18-V33 HydrophobicContact CD1-CG1 4.29Å; I18-V33 HydrophobicContact CD1-CG2 3.34Å; F29-V33 HydrophobicContact CD1-CG2 4.08Å; F29-V33 HydrophobicContact CE1-CG2 3.71Å; F29-V33 HydrophobicContact CE2-CG2 4.3Å; F29-V33 HydrophobicContact CZ-CG2 3.83Å; F29-V33 VanDerWaalsContact O-CG2 3.31Å; F29-V33 WeakPolarHBondContact O-CG2 3.41Å; F29-V33 PolarHBondContact O-N 2.79Å; L30-V33 WeakPolarHBondContact O-CB 3.21Å; L30-V33 PolarHBondContact O-N 2.99Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 3.06Å; V33-E36 PolarHBondContact O-N 3.29Å; V33-F37 HydrophobicContact CG1-CD2 3.98Å; V33-F37 HydrophobicContact CG1-CE2 4.35Å; V33-F37 WeakPolarHBondContact O-CD2 3.43Å; V33-F37 PolarHBondContact O-N 2.65Å; V33-F44 HydrophobicContact CB-CE2 4.2Å; V33-F44 HydrophobicContact CB-CZ 4.48Å; V33-F44 HydrophobicContact CG1-CD2 4.42Å; V33-F44 HydrophobicContact CG1-CE2 3.82Å; V33-F44 HydrophobicContact CG1-CZ 4.44Å; V33-V46 HydrophobicContact CG1-CG2 4.12Å; V33-L76 HydrophobicContact CG1-CD1 3.47Å; V33-L76 VanDerWaalsContact CG1-CD1 3.47Å
34A86.3Confident81.8Confident7 Ų758.1 Ų58.16%0.05832%0.316CS..Hα-helixtrans-55.1-47.5176.800000111.7L30 F37 G38 F39 F44L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 3.47Å; A34-F37 PolarHBondContact O-N 3.41Å; A34-G38 WeakPolarHBondContact O-CA 3.47Å; A34-G38 PolarHBondContact O-N 2.97Å; A34-F39 WeakPolarHBondContact CB-O 3.48Å; A34-F39 PolarHBondContact O-N 3.08Å; A34-F44 HydrophobicContact CB-CE1 3.46Å; A34-F44 VanDerWaalsContact CB-CE1 3.46Å; A34-F44 HydrophobicContact CB-CZ 3.65Å
35K85.3Confident82Confident183 Ų18358.4 Ų58.480%0.79632%0.32SS*.Hα-helixtrans-64-42.6178.9-172.8-179.2178.9-176.80112.9K31 K32 V33K31-K35 WeakPolarHBondContact O-CB 3.26Å; K31-K35 PolarHBondContact O-N 3.22Å; K32-K35 PolarHBondContact O-N 3.49Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 3.06Å
36E85.9Confident82Confident91 Ų9156.7 Ų56.743%0.42531%0.31SS..Hα-helixtrans-69.3-35.2-179.7-80.7-65.8160.800112.4K16 K32 V33K16-E36 HydrophobicContact CD-CB 4.34Å; K16-E36 PolarHBondContact NZ-O 2.94Å; K32-E36 WeakPolarHBondContact O-CB 3.19Å; K32-E36 WeakPolarHBondContact O-CG 3.19Å; K32-E36 PolarHBondContact O-N 3.48Å; V33-E36 PolarHBondContact O-N 3.29Å
37F82.4Confident82.2Confident31 Ų3158.4 Ų58.414%0.13632%0.317CS..Hα-helixtrans-98.3-0.3-178.6-72.3-89.7000114.1V9 S11 K16 I18 V33 A34 F39 L76V9-F37 HydrophobicContact CB-CE2 3.89Å; V9-F37 HydrophobicContact CB-CZ 4.09Å; V9-F37 HydrophobicContact CG1-CE2 3.88Å; V9-F37 HydrophobicContact CG1-CZ 4.09Å; V9-F37 WeakPolarHBondContact O-CZ 3.49Å; S11-F37 VanDerWaalsContact OG-CE1 3.29Å; S11-F37 WeakPolarHBondContact OG-CE1 3.11Å; K16-F37 HydrophobicContact CB-CE1 4.34Å; K16-F37 HydrophobicContact CB-CE2 3.9Å; K16-F37 HydrophobicContact CB-CZ 3.58Å; K16-F37 HydrophobicContact CD-CD1 4.29Å; K16-F37 HydrophobicContact CD-CD2 4.44Å; K16-F37 HydrophobicContact CD-CE1 3.99Å; K16-F37 HydrophobicContact CD-CE2 4.15Å; K16-F37 HydrophobicContact CD-CZ 3.93Å; K16-F37 HydrophobicContact CG-CE1 3.91Å; K16-F37 HydrophobicContact CG-CE2 4.23Å; K16-F37 HydrophobicContact CG-CZ 3.66Å; I18-F37 HydrophobicContact CD1-CE2 4.41Å; V33-F37 HydrophobicContact CG1-CD2 3.98Å; V33-F37 HydrophobicContact CG1-CE2 4.35Å; V33-F37 WeakPolarHBondContact O-CD2 3.43Å; V33-F37 PolarHBondContact O-N 2.65Å; A34-F37 PolarHBondContact O-N 3.41Å; F37-F39 VanDerWaalsContact C-N 3.35Å; F37-F39 HydrophobicContact CB-CD2 3.53Å; F37-F39 HydrophobicContact CB-CE2 3.64Å; F37-L76 HydrophobicContact CB-CD1 4.49Å; F37-L76 HydrophobicContact CD2-CD1 4.23Å; F37-L76 HydrophobicContact CG-CD1 4.29Å
38G78.8Confident82.3Confident68 Ų6860.7 Ų60.770%0.70133%0.326SS*.THydrogen-bonded Turntrans73.920176.600000114.8A34A34-G38 WeakPolarHBondContact O-CA 3.47Å; A34-G38 PolarHBondContact O-N 2.97Å
39F77.9Confident82Confident44 Ų4461.5 Ų61.519%0.19333%0.328CS..  trans-90.7146.6178.7-67.1-69000112.1A34 F37 F44 L76 P78A34-F39 WeakPolarHBondContact CB-O 3.48Å; A34-F39 PolarHBondContact O-N 3.08Å; F37-F39 VanDerWaalsContact C-N 3.35Å; F37-F39 HydrophobicContact CB-CD2 3.53Å; F37-F39 HydrophobicContact CB-CE2 3.64Å; F39-F44 HydrophobicContact CB-CD1 3.5Å; F39-F44 HydrophobicContact CB-CE1 4.05Å; F39-F44 HydrophobicContact CB-CG 4.29Å; F39-F44 HydrophobicContact CD2-CB 4.28Å; F39-F44 HydrophobicContact CD2-CD1 4.34Å; F39-F44 HydrophobicContact CD2-CG 4.34Å; F39-F44 HydrophobicContact CG-CB 4.3Å; F39-F44 HydrophobicContact CG-CD1 4.08Å; F39-F44 HydrophobicContact CG-CG 4.41Å; F39-L76 HydrophobicContact CD2-CD1 4.25Å; F39-L76 HydrophobicContact CD2-CD2 4.17Å; F39-L76 HydrophobicContact CE2-CD1 4.24Å; F39-L76 HydrophobicContact CE2-CD2 3.51Å; F39-L76 HydrophobicContact CZ-CD2 4.11Å; F39-P78 HydrophobicContact CE1-CB 3.91Å; F39-P78 HydrophobicContact CZ-CB 4.07Å
40N68.3Low81.5Confident143 Ų14370.7 Ų70.777%0.76536%0.363SS*.  trans-67.9150.1163.4-71.6-13.8000109.6N42 G43N40-N42 PolarHBondContact O-N 2.92Å; N40-G43 PolarHBondContact O-N 3.31Å
41S61.1Low80.9Confident91 Ų9175.1 Ų75.164%0.63639%0.387SS*.THydrogen-bonded Turntrans-51.1-18.7-172.4-40.50000116.2
42N62.6Low80.6Confident151 Ų15174.1 Ų74.181%0.80738%0.382SS*.THydrogen-bonded Turntrans-115.47.4-175.7-68.218.8000113.5N40N40-N42 PolarHBondContact O-N 2.92Å
43G74.3Confident80.1Confident13 Ų1373 Ų7313%0.13438%0.383CS..SBendtrans-98.95.4-172.700000115.7N40 P78 S79N40-G43 PolarHBondContact O-N 3.31Å; G43-P78 WeakPolarHBondContact O-CA 3.5Å; G43-S79 PolarHBondContact O-N 2.94Å
44F85.4Confident79.7Confident20 Ų2075.1 Ų75.19%0.08840%0.404CS..EExtended strand (participates in β ladder)trans-152.3151.7-175.969-78.4000112.2L30 V33 A34 F39 V46 L76 F77L30-F44 HydrophobicContact CD2-CE2 4.13Å; L30-F44 WeakPolarHBondContact O-CZ 3.38Å; V33-F44 HydrophobicContact CB-CE2 4.2Å; V33-F44 HydrophobicContact CB-CZ 4.48Å; V33-F44 HydrophobicContact CG1-CD2 4.42Å; V33-F44 HydrophobicContact CG1-CE2 3.82Å; V33-F44 HydrophobicContact CG1-CZ 4.44Å; A34-F44 HydrophobicContact CB-CE1 3.46Å; A34-F44 VanDerWaalsContact CB-CE1 3.46Å; A34-F44 HydrophobicContact CB-CZ 3.65Å; F39-F44 HydrophobicContact CB-CD1 3.5Å; F39-F44 HydrophobicContact CB-CE1 4.05Å; F39-F44 HydrophobicContact CB-CG 4.29Å; F39-F44 HydrophobicContact CD2-CB 4.28Å; F39-F44 HydrophobicContact CD2-CD1 4.34Å; F39-F44 HydrophobicContact CD2-CG 4.34Å; F39-F44 HydrophobicContact CG-CB 4.3Å; F39-F44 HydrophobicContact CG-CD1 4.08Å; F39-F44 HydrophobicContact CG-CG 4.41Å; F44-V46 HydrophobicContact CD2-CG2 3.68Å; F44-V46 HydrophobicContact CE2-CG2 3.66Å; F44-L76 HydrophobicContact CB-CD1 4.31Å; F44-L76 HydrophobicContact CB-CD2 4.07Å; F44-L76 HydrophobicContact CB-CG 4.12Å; F44-L76 HydrophobicContact CD2-CD1 3.54Å; F44-L76 HydrophobicContact CD2-CG 3.93Å; F44-L76 HydrophobicContact CE2-CD1 4.16Å; F44-L76 HydrophobicContact CG-CD1 4.07Å; F44-L76 HydrophobicContact CG-CG 4.37Å; F44-F77 WeakPolarHBondContact CA-O 3.4Å
45S89Confident79.6Confident26 Ų2678.8 Ų78.818%0.18242%0.42CS..EExtended strand (participates in β ladder)trans-118.2138.5169.3-73.10000110Y47 E55 L76 F77S45-Y47 VanDerWaalsContact CB-CE2 3.42Å; S45-E55 VanDerWaalsContact CB-OE1 3.3Å; S45-E55 WeakPolarHBondContact CB-OE1 3.5Å; S45-E55 PolarHBondContact OG-OE1 3.39Å; S45-L76 WeakPolarHBondContact O-CA 3.35Å; S45-F77 PolarHBondContact N-O 3.15Å; S45-F77 PolarHBondContact O-N 3.42Å
46V87.9Confident79.6Confident1 Ų170.5 Ų70.51%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-111.8131.2177.4-177.70000109.3L30 V33 F44 V56 L74 F75 L76L30-V46 HydrophobicContact CD2-CB 3.92Å; L30-V46 HydrophobicContact CD2-CG2 3.65Å; V33-V46 HydrophobicContact CG1-CG2 4.12Å; F44-V46 HydrophobicContact CD2-CG2 3.68Å; F44-V46 HydrophobicContact CE2-CG2 3.66Å; V46-V56 HydrophobicContact CB-CB 4.49Å; V46-V56 PolarHBondContact O-N 2.61Å; V46-L74 HydrophobicContact CG1-CB 3.72Å; V46-L74 HydrophobicContact CG1-CD1 4Å; V46-L74 HydrophobicContact CG1-CG 4.45Å; V46-F75 CarbonylContact C-O 3.59Å; V46-F75 WeakPolarHBondContact CA-O 3.46Å; V46-L76 HydrophobicContact CG2-CB 4.39Å; V46-L76 HydrophobicContact CG2-CD1 4.24Å; V46-L76 HydrophobicContact CG2-CG 4.33Å
47Y89.4Confident79.3Confident36 Ų3670.3 Ų70.314%0.14139%0.386CS..EExtended strand (participates in β ladder)trans-121.6149.3-178.5-59.8-96.2000110.9S45 N49 K52 E55 L74 F75 F77S45-Y47 VanDerWaalsContact CB-CE2 3.42Å; Y47-N49 VanDerWaalsContact C-N 3.34Å; Y47-K52 HydrophobicContact CD1-CB 4.05Å; Y47-K52 WeakPolarHBondContact CD1-O 3.37Å; Y47-K52 HydrophobicContact CE1-CB 3.9Å; Y47-K52 WeakPolarHBondContact CE1-O 3.46Å; Y47-K52 HydrophobicContact CE2-CB 4.42Å; Y47-K52 HydrophobicContact CE2-CG 4.38Å; Y47-K52 HydrophobicContact CG-CB 4.35Å; Y47-E55 HydrophobicContact CD1-CB 3.8Å; Y47-E55 HydrophobicContact CD1-CG 4.29Å; Y47-E55 HydrophobicContact CE1-CB 3.67Å; Y47-E55 HydrophobicContact CE1-CG 3.96Å; Y47-L74 CarbonylContact O-C 3.59Å; Y47-L74 WeakPolarHBondContact O-CA 3.47Å; Y47-F75 PolarHBondContact N-O 2.98Å; Y47-F75 PolarHBondContact O-N 3.21Å; Y47-F77 AromaticContact CD2-CD2 3.54Å; Y47-F77 HydrophobicContact CD2-CD2 3.54Å; Y47-F77 AromaticContact CD2-CE2 3.96Å; Y47-F77 HydrophobicContact CD2-CE2 3.96Å; Y47-F77 AromaticContact CE2-CD2 3.77Å; Y47-F77 HydrophobicContact CE2-CD2 3.77Å; Y47-F77 HydrophobicContact CE2-CE2 4.48Å
48I86.5Confident79.1Confident61 Ų6172.9 Ų72.931%0.31341%0.408SS..SBendtrans-70.2-35.1174.4-62.8168.4000110.8G54 V56 L74I48-G54 WeakPolarHBondContact CG1-O 3.19Å; I48-G54 PolarHBondContact N-O 3.49Å; I48-V56 HydrophobicContact CG1-CG2 4.04Å; I48-L74 HydrophobicContact CB-CD2 4.26Å; I48-L74 HydrophobicContact CG1-CD2 3.95Å
49N81.1Confident79Confident79 Ų7973.1 Ų73.142%0.42239%0.391SS..SBendtrans-116.4152.1-178-62.2-49.4000112.5Y47 N51 K52 T53 F75Y47-N49 VanDerWaalsContact C-N 3.34Å; N49-N51 WeakPolarHBondContact CB-OD1 3.43Å; N49-N51 PolarHBondContact O-N 2.98Å; N49-K52 PolarHBondContact O-N 3.37Å; N49-T53 WeakPolarHBondContact CB-OG1 3.2Å; N49-T53 PolarHBondContact N-O 3.45Å; N49-T53 PolarHBondContact ND2-OG1 2.8Å; N49-F75 VanDerWaalsContact C-CD2 3.41Å
50R78.6Confident79Confident193 Ų19377.9 Ų77.973%0.72842%0.418SS*.THydrogen-bonded Turntrans-63.4-25.6180-168.3173.4178.3178.4-0.9113.8K52 F75R50-K52 PolarHBondContact O-N 3.3Å; R50-F75 HydrophobicContact CB-CD1 4.04Å; R50-F75 HydrophobicContact CB-CD2 4.2Å; R50-F75 HydrophobicContact CB-CE1 3.85Å; R50-F75 HydrophobicContact CB-CE2 4.04Å; R50-F75 HydrophobicContact CB-CG 4.21Å; R50-F75 HydrophobicContact CB-CZ 3.86Å; R50-F75 HydrophobicContact CG-CD1 4.07Å; R50-F75 HydrophobicContact CG-CE1 4.01Å; R50-F75 VanDerWaalsContact N-CD2 3.32Å
51N76.3Confident79.6Confident112 Ų11276.1 Ų76.160%0.59940%0.404SS*.THydrogen-bonded Turntrans-79.818.8177.465.5-8.6000113.9N49 T53N49-N51 WeakPolarHBondContact CB-OD1 3.43Å; N49-N51 PolarHBondContact O-N 2.98Å; N51-T53 VanDerWaalsContact C-N 3.25Å; N51-T53 PolarHBondContact O-N 3.24Å; N51-T53 WeakPolarHBondContact OD1-CB 3.47Å; N51-T53 WeakPolarHBondContact OD1-CG2 2.97Å; N51-T53 PolarHBondContact OD1-N 3.15Å; N51-T53 PolarHBondContact OD1-OG1 3.46Å
52K80.9Confident80.7Confident124 Ų12473.1 Ų73.154%0.53938%0.383SS..SBendtrans5930.8-177.3-57-179.8-179.7-179.90114Y47 N49 R50 F77Y47-K52 HydrophobicContact CD1-CB 4.05Å; Y47-K52 WeakPolarHBondContact CD1-O 3.37Å; Y47-K52 HydrophobicContact CE1-CB 3.9Å; Y47-K52 WeakPolarHBondContact CE1-O 3.46Å; Y47-K52 HydrophobicContact CE2-CB 4.42Å; Y47-K52 HydrophobicContact CE2-CG 4.38Å; Y47-K52 HydrophobicContact CG-CB 4.35Å; N49-K52 PolarHBondContact O-N 3.37Å; R50-K52 PolarHBondContact O-N 3.3Å; K52-F77 HydrophobicContact CG-CD2 4.18Å; K52-F77 HydrophobicContact CG-CE2 3.81Å; K52-F77 HydrophobicContact CG-CZ 4.04Å
53T76.2Confident81.5Confident60 Ų6066 Ų6637%0.36835%0.345SS..  trans-102.1146.217364.70000111.2N49 N51N49-T53 WeakPolarHBondContact CB-OG1 3.2Å; N49-T53 PolarHBondContact N-O 3.45Å; N49-T53 PolarHBondContact ND2-OG1 2.8Å; N51-T53 VanDerWaalsContact C-N 3.25Å; N51-T53 PolarHBondContact O-N 3.24Å; N51-T53 WeakPolarHBondContact OD1-CB 3.47Å; N51-T53 WeakPolarHBondContact OD1-CG2 2.97Å; N51-T53 PolarHBondContact OD1-N 3.15Å; N51-T53 PolarHBondContact OD1-OG1 3.46Å
54G79.2Confident81.7Confident43 Ų4370.2 Ų70.244%0.44336%0.364SS..SBendtrans71.158.5-178.200000112.4I48 V56I48-G54 WeakPolarHBondContact CG1-O 3.19Å; I48-G54 PolarHBondContact N-O 3.49Å; G54-V56 PolarHBondContact O-N 3.3Å
55E84.8Confident81.4Confident85 Ų8575.5 Ų75.540%0.39739%0.393SS..BIsolated β-bridgetrans-60.3128.2174.4-170.4174.6-155.800110.6S45 Y47 L57S45-E55 VanDerWaalsContact CB-OE1 3.3Å; S45-E55 WeakPolarHBondContact CB-OE1 3.5Å; S45-E55 PolarHBondContact OG-OE1 3.39Å; Y47-E55 HydrophobicContact CD1-CB 3.8Å; Y47-E55 HydrophobicContact CD1-CG 4.29Å; Y47-E55 HydrophobicContact CE1-CB 3.67Å; Y47-E55 HydrophobicContact CE1-CG 3.96Å; E55-L57 HydrophobicContact CG-CD2 4.16Å; E55-L57 HydrophobicContact CG-CG 4.5Å; E55-L57 PolarHBondContact O-N 2.72Å; E55-L57 VanDerWaalsContact O-N 3.13Å
56V84.2Confident80.8Confident8 Ų876.6 Ų76.65%0.04840%0.396CS..  trans-81.291.7172.7-176.80000107.3A26 L30 V46 I48 G54 L66 I68A26-V56 HydrophobicContact CB-CG1 4.14Å; L30-V56 WeakPolarHBondContact CD1-O 3.44Å; L30-V56 HydrophobicContact CD2-CG1 4.4Å; V46-V56 HydrophobicContact CB-CB 4.49Å; V46-V56 PolarHBondContact O-N 2.61Å; I48-V56 HydrophobicContact CG1-CG2 4.04Å; G54-V56 PolarHBondContact O-N 3.3Å; V56-L66 HydrophobicContact CG1-CD1 4.33Å; V56-I68 HydrophobicContact CG2-CD1 4.15Å
57L81.3Confident80.5Confident87 Ų8784.7 Ų84.746%0.45543%0.431SS..  trans-72.2147.6176.6-66.3170.3000111.1E55 Q59E55-L57 HydrophobicContact CG-CD2 4.16Å; E55-L57 HydrophobicContact CG-CG 4.5Å; E55-L57 PolarHBondContact O-N 2.72Å; E55-L57 VanDerWaalsContact O-N 3.13Å; L57-Q59 VanDerWaalsContact C-N 3.25Å; L57-Q59 HydrophobicContact CB-CG 4.05Å; L57-Q59 PolarHBondContact O-N 3.25Å
58S77.8Confident80.2Confident86 Ų8683.2 Ų83.260%0.60143%0.426SS*.SBendtrans-68.781.6173.5-167.10000110.6
59Q77Confident80.2Confident72 Ų7287.1 Ų87.134%0.33644%0.44SS..  trans-119.9156.2178.7-63.7-175.60.800110.6A27 L57 K61A27-Q59 PolarHBondContact N-O 3.06Å; L57-Q59 VanDerWaalsContact C-N 3.25Å; L57-Q59 HydrophobicContact CB-CG 4.05Å; L57-Q59 PolarHBondContact O-N 3.25Å; Q59-K61 PolarHBondContact O-N 3.46Å; Q59-K61 VanDerWaalsContact OE1-NZ 3.1Å
60N77Confident80.4Confident145 Ų14589 Ų8978%0.77545%0.447SS*.SBendtrans-7622.5175-76.6-23.1000113.9
61K82Confident80.5Confident106 Ų10681 Ų8146%0.46142%0.424SS..  trans-86.3138.8175.2-67.6178.5-177.6160.40109.8T25 A26 Q59T25-K61 CarbonylContact C-O 3.03Å; T25-K61 WeakPolarHBondContact CA-O 3.37Å; A26-K61 PolarHBondContact N-O 3.27Å; Q59-K61 PolarHBondContact O-N 3.46Å; Q59-K61 VanDerWaalsContact OE1-NZ 3.1Å
62S83.9Confident81Confident28 Ų2878.2 Ų78.220%0.19641%0.409CS..BIsolated β-bridgetrans-66.8148.5175.964.20000111.6E24 N64 L65 L66E24-S62 CarbonylContact O-C 3.56Å; E24-S62 VanDerWaalsContact O-CA 3.25Å; E24-S62 WeakPolarHBondContact O-CA 3.22Å; S62-N64 PolarHBondContact O-N 3.45Å; S62-N64 VanDerWaalsContact O-N 3.15Å; S62-L65 WeakPolarHBondContact O-CB 3.38Å; S62-L65 PolarHBondContact O-N 3.45Å; S62-L65 WeakPolarHBondContact OG-CD1 3.34Å; S62-L65 WeakPolarHBondContact OG-CG 3.46Å; S62-L66 PolarHBondContact O-N 3.4Å
63L79.1Confident81.3Confident0 Ų075 Ų750%040%0.397CS..THydrogen-bonded Turntrans-54.4-34.6178-67174000113.2I5 I7 E24 F29 L65 L66 K67 I68I5-L63 HydrophobicContact CD1-CD1 4.38Å; I7-L63 HydrophobicContact CD1-CD1 3.79Å; E24-L63 HydrophobicContact CB-CD1 4.15Å; E24-L63 WeakPolarHBondContact O-CG 3.44Å; E24-L63 PolarHBondContact O-N 3.12Å; F29-L63 HydrophobicContact CB-CD1 4.18Å; F29-L63 HydrophobicContact CB-CD2 3.95Å; F29-L63 HydrophobicContact CB-CG 4.44Å; F29-L63 HydrophobicContact CD1-CD2 4.04Å; F29-L63 HydrophobicContact CD2-CD1 4.04Å; F29-L63 HydrophobicContact CG-CD1 4.14Å; F29-L63 HydrophobicContact CG-CD2 3.91Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-L65 PolarHBondContact O-N 3.05Å; L63-L66 CarbonylContact O-C 3.46Å; L63-L66 PolarHBondContact O-N 3.29Å; L63-L66 VanDerWaalsContact O-N 3.15Å; L63-K67 PolarHBondContact O-N 3.42Å; L63-I68 HydrophobicContact CB-CB 4.49Å; L63-I68 HydrophobicContact CD2-CD1 3.91Å; L63-I68 PolarHBondContact O-N 3.16Å; L63-I68 VanDerWaalsContact O-N 3.13Å
64N78.6Confident82Confident102 Ų10272.2 Ų72.255%0.54538%0.38SS..THydrogen-bonded Turntrans-64-35.2176.6-165.733.9000113.2K22 S62 L66 K67K22-N64 WeakPolarHBondContact O-CB 3.48Å; K22-N64 PolarHBondContact O-N 3.37Å; S62-N64 PolarHBondContact O-N 3.45Å; S62-N64 VanDerWaalsContact O-N 3.15Å; N64-L66 VanDerWaalsContact C-N 3.29Å; N64-L66 PolarHBondContact O-N 3.3Å; N64-K67 PolarHBondContact O-N 3.36Å; N64-K67 VanDerWaalsContact O-N 3.15Å
65L78.9Confident82.4Confident131 Ų13171.7 Ų71.769%0.68637%0.365SS*.THydrogen-bonded Turntrans-72-25.6175.9-73.4168.8000112.1S62 L63 K67S62-L65 WeakPolarHBondContact O-CB 3.38Å; S62-L65 PolarHBondContact O-N 3.45Å; S62-L65 WeakPolarHBondContact OG-CD1 3.34Å; S62-L65 WeakPolarHBondContact OG-CG 3.46Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-L65 PolarHBondContact O-N 3.05Å; L65-K67 PolarHBondContact O-N 2.95Å
66L76.9Confident82.6Confident49 Ų4967.8 Ų67.826%0.25735%0.347SS..THydrogen-bonded Turntrans-83.37.4172.4-65.1172.6000112.7A26 V56 S62 L63 N64 I68A26-L66 HydrophobicContact CB-CD1 3.58Å; V56-L66 HydrophobicContact CG1-CD1 4.33Å; S62-L66 PolarHBondContact O-N 3.4Å; L63-L66 CarbonylContact O-C 3.46Å; L63-L66 PolarHBondContact O-N 3.29Å; L63-L66 VanDerWaalsContact O-N 3.15Å; N64-L66 VanDerWaalsContact C-N 3.29Å; N64-L66 PolarHBondContact O-N 3.3Å; L66-I68 HydrophobicContact CB-CD1 4.1Å; L66-I68 HydrophobicContact CB-CG1 4.21Å; L66-I68 PolarHBondContact O-N 3.13Å
67K81.7Confident82.7Confident172 Ų17270.1 Ų70.175%0.74836%0.356SS*.THydrogen-bonded Turntrans60.121.9-178.3-57.7-178.9178.11780114.4L63 N64 L65L63-K67 PolarHBondContact O-N 3.42Å; N64-K67 PolarHBondContact O-N 3.36Å; N64-K67 VanDerWaalsContact O-N 3.15Å; L65-K67 PolarHBondContact O-N 2.95Å
68I83.1Confident82.8Confident5 Ų568.9 Ų68.93%0.02635%0.353CS..  trans-84.8118.6177.1-58.5169.4000109I7 V56 L63 L66 D72 L74I7-I68 HydrophobicContact CD1-CG2 3.59Å; I7-I68 HydrophobicContact CG1-CG2 3.96Å; I7-I68 HydrophobicContact CG2-CG2 4.39Å; V56-I68 HydrophobicContact CG2-CD1 4.15Å; L63-I68 HydrophobicContact CB-CB 4.49Å; L63-I68 HydrophobicContact CD2-CD1 3.91Å; L63-I68 PolarHBondContact O-N 3.16Å; L63-I68 VanDerWaalsContact O-N 3.13Å; L66-I68 HydrophobicContact CB-CD1 4.1Å; L66-I68 HydrophobicContact CB-CG1 4.21Å; L66-I68 PolarHBondContact O-N 3.13Å; I68-D72 HydrophobicContact CG2-CB 4.36Å; I68-L74 HydrophobicContact CD1-CD1 4.34Å
69K85.3Confident82.7Confident142 Ų14266.9 Ų66.962%0.61734%0.34SS*.  trans-108.2169.3-175.1-63.6179.4-176.4177.10111.9G71 D72K69-G71 PolarHBondContact O-N 3.41Å; K69-D72 PolarHBondContact N-OD2 3.16Å; K69-D72 WeakPolarHBondContact O-CB 3.46Å; K69-D72 PolarHBondContact O-N 3.39Å
70H85.8Confident81.6Confident120 Ų12068.8 Ų68.856%0.55637%0.368SS*.THydrogen-bonded Turntrans-60.6128.1172.4-178.499000110.3I5 I6I5-H70 WeakPolarHBondContact CA-ND1 3.17Å; I5-H70 HydrophobicContact CB-CB 4.02Å; I5-H70 HydrophobicContact CG2-CB 3.92Å; I6-H70 PolarHBondContact N-ND1 3.28Å; I6-H70 VanDerWaalsContact N-ND1 3.15Å
71G81.2Confident80Confident24 Ų2466.8 Ų66.825%0.24737%0.365CS..THydrogen-bonded Turntrans91.3-6.7178.400000114.9I6 R8 K69I6-G71 PolarHBondContact O-N 3.3Å; R8-G71 PolarHBondContact NE-O 3.27Å; R8-G71 VanDerWaalsContact NE-O 3.1Å; R8-G71 PolarHBondContact NH2-O 3.1Å; K69-G71 PolarHBondContact O-N 3.41Å
72D86.6Confident77.6Confident53 Ų5366.7 Ų66.728%0.28338%0.378SS..  trans-61.5148.7179.1-75.5-0.3000111.7R8 I68 K69R8-D72 PolarHBondContact N-O 3.25Å; I68-D72 HydrophobicContact CG2-CB 4.36Å; K69-D72 PolarHBondContact N-OD2 3.16Å; K69-D72 WeakPolarHBondContact O-CB 3.46Å; K69-D72 PolarHBondContact O-N 3.39Å
73M86.5Confident75.1Confident58 Ų5871.2 Ų71.229%0.28641%0.41SS..EExtended strand (participates in β ladder)trans-109.1120.5178.9-172.6172.9-62.100109.5R8 M15 F75R8-M73 CarbonylContact O-C 3.3Å; R8-M73 VanDerWaalsContact O-CA 3.31Å; R8-M73 WeakPolarHBondContact O-CA 3.45Å; M15-M73 HydrophobicContact CE-CE 3.36Å; M15-M73 HydrophobicContact CE-SD 3.86Å; M15-M73 HydrophobicContact SD-CE 4.01Å; M73-F75 HydrophobicContact CG-CE1 4.46Å; M73-F75 HydrophobicContact CG-CE2 4.44Å; M73-F75 HydrophobicContact CG-CZ 4.1Å; M73-F75 HydrophobicContact SD-CE1 4.27Å; M73-F75 HydrophobicContact SD-CZ 4.07Å
74L90.6Very high72.7Confident1 Ų176.5 Ų76.51%0.00545%0.447CS..EExtended strand (participates in β ladder)trans-108.9153.2174.5-54.2178.8000109.8I7 R8 V9 Q10 F29 V46 Y47 I48 I68I7-L74 HydrophobicContact CG2-CD1 3.68Å; I7-L74 HydrophobicContact CG2-CG 3.87Å; R8-L74 PolarHBondContact O-N 2.68Å; V9-L74 CarbonylContact C-O 3.55Å; V9-L74 WeakPolarHBondContact CA-O 3.39Å; V9-L74 HydrophobicContact CG2-CB 4.36Å; Q10-L74 PolarHBondContact N-O 2.93Å; F29-L74 HydrophobicContact CE1-CD1 3.59Å; F29-L74 HydrophobicContact CZ-CD1 3.85Å; V46-L74 HydrophobicContact CG1-CB 3.72Å; V46-L74 HydrophobicContact CG1-CD1 4Å; V46-L74 HydrophobicContact CG1-CG 4.45Å; Y47-L74 CarbonylContact O-C 3.59Å; Y47-L74 WeakPolarHBondContact O-CA 3.47Å; I48-L74 HydrophobicContact CB-CD2 4.26Å; I48-L74 HydrophobicContact CG1-CD2 3.95Å; I68-L74 HydrophobicContact CD1-CD1 4.34Å
75F88.6Confident70.3Confident32 Ų3277.1 Ų77.114%0.1446%0.459CS..EExtended strand (participates in β ladder)trans-115.4119.3-175.8-58.8-90000109.7Q10 V46 Y47 N49 R50 M73 F77Q10-F75 HydrophobicContact CB-CD1 4.31Å; Q10-F75 WeakPolarHBondContact O-CA 3.27Å; V46-F75 CarbonylContact C-O 3.59Å; V46-F75 WeakPolarHBondContact CA-O 3.46Å; Y47-F75 PolarHBondContact N-O 2.98Å; Y47-F75 PolarHBondContact O-N 3.21Å; N49-F75 VanDerWaalsContact C-CD2 3.41Å; R50-F75 HydrophobicContact CB-CD1 4.04Å; R50-F75 HydrophobicContact CB-CD2 4.2Å; R50-F75 HydrophobicContact CB-CE1 3.85Å; R50-F75 HydrophobicContact CB-CE2 4.04Å; R50-F75 HydrophobicContact CB-CG 4.21Å; R50-F75 HydrophobicContact CB-CZ 3.86Å; R50-F75 HydrophobicContact CG-CD1 4.07Å; R50-F75 HydrophobicContact CG-CE1 4.01Å; R50-F75 VanDerWaalsContact N-CD2 3.32Å; M73-F75 HydrophobicContact CG-CE1 4.46Å; M73-F75 HydrophobicContact CG-CE2 4.44Å; M73-F75 HydrophobicContact CG-CZ 4.1Å; M73-F75 HydrophobicContact SD-CE1 4.27Å; M73-F75 HydrophobicContact SD-CZ 4.07Å; F75-F77 HydrophobicContact CB-CE2 3.87Å; F75-F77 HydrophobicContact CB-CZ 4.43Å
76L89Confident67.8Low2 Ų276.7 Ų76.71%0.0147%0.466CS..EExtended strand (participates in β ladder)trans-96130.6177.8-177.2152.9000109.6V9 Q10 V33 F37 F39 F44 S45 V46V9-L76 HydrophobicContact CG1-CB 3.83Å; V9-L76 HydrophobicContact CG1-CD1 4.42Å; Q10-L76 PolarHBondContact O-N 2.79Å; V33-L76 HydrophobicContact CG1-CD1 3.47Å; V33-L76 VanDerWaalsContact CG1-CD1 3.47Å; F37-L76 HydrophobicContact CB-CD1 4.49Å; F37-L76 HydrophobicContact CD2-CD1 4.23Å; F37-L76 HydrophobicContact CG-CD1 4.29Å; F39-L76 HydrophobicContact CD2-CD1 4.25Å; F39-L76 HydrophobicContact CD2-CD2 4.17Å; F39-L76 HydrophobicContact CE2-CD1 4.24Å; F39-L76 HydrophobicContact CE2-CD2 3.51Å; F39-L76 HydrophobicContact CZ-CD2 4.11Å; F44-L76 HydrophobicContact CB-CD1 4.31Å; F44-L76 HydrophobicContact CB-CD2 4.07Å; F44-L76 HydrophobicContact CB-CG 4.12Å; F44-L76 HydrophobicContact CD2-CD1 3.54Å; F44-L76 HydrophobicContact CD2-CG 3.93Å; F44-L76 HydrophobicContact CE2-CD1 4.16Å; F44-L76 HydrophobicContact CG-CD1 4.07Å; F44-L76 HydrophobicContact CG-CG 4.37Å; S45-L76 WeakPolarHBondContact O-CA 3.35Å; V46-L76 HydrophobicContact CG2-CB 4.39Å; V46-L76 HydrophobicContact CG2-CD1 4.24Å; V46-L76 HydrophobicContact CG2-CG 4.33Å
77F86.1Confident65.4Low57 Ų5780.4 Ų80.425%0.2550%0.497CS..EExtended strand (participates in β ladder)trans-120.7124.9171-63.1-89.5000109.6F44 S45 Y47 K52 F75F44-F77 WeakPolarHBondContact CA-O 3.4Å; S45-F77 PolarHBondContact N-O 3.15Å; S45-F77 PolarHBondContact O-N 3.42Å; Y47-F77 AromaticContact CD2-CD2 3.54Å; Y47-F77 HydrophobicContact CD2-CD2 3.54Å; Y47-F77 AromaticContact CD2-CE2 3.96Å; Y47-F77 HydrophobicContact CD2-CE2 3.96Å; Y47-F77 AromaticContact CE2-CD2 3.77Å; Y47-F77 HydrophobicContact CE2-CD2 3.77Å; Y47-F77 HydrophobicContact CE2-CE2 4.48Å; K52-F77 HydrophobicContact CG-CD2 4.18Å; K52-F77 HydrophobicContact CG-CE2 3.81Å; K52-F77 HydrophobicContact CG-CZ 4.04Å; F75-F77 HydrophobicContact CB-CE2 3.87Å; F75-F77 HydrophobicContact CB-CZ 4.43Å
78P82.4Confident62.7Low61 Ų6175.9 Ų75.940%0.39650%0.499SS..EExtended strand (participates in β ladder)trans-67.4137.1172.325.9-30.1000110.3F39 G43F39-P78 HydrophobicContact CE1-CB 3.91Å; F39-P78 HydrophobicContact CZ-CB 4.07Å; G43-P78 WeakPolarHBondContact O-CA 3.5Å
79S75.5Confident60Low45 Ų4584.5 Ų84.532%0.31554%0.539SS..  trans-73.2129.2171.2-59.70000108.1G43 S81G43-S79 PolarHBondContact O-N 2.94Å; S79-S81 PolarHBondContact O-N 3.29Å
80A54.6Low57.2Low112 Ų11284.2 Ų84.293%0.92655%0.549SS*.SBendtrans-70.875.5-175.200000111.8
81S43.4Very low54.4Low102 Ų10287.4 Ų87.471%0.71357%0.567SS**SBendtrans-160.848.6167.952.10000111.4S79S79-S81 PolarHBondContact O-N 3.29Å
82S31Very low51.7Low104 Ų10493.3 Ų93.373%0.72759%0.593SS**  trans179.797.2154.347.80000109.1
83S31.3Very low48.7Very low124 Ų12498 Ų9887%0.86762%0.624SS**  trans-89.4131.3174.950.80000111.4
84S28.7Very low45.7Very low111 Ų11199.1 Ų99.178%0.77664%0.641SS**  trans-144100.3151.457.60000110.5
85S29Very low42.6Very low114 Ų114105.3 Ų105.380%0.79768%0.679SS**  trans34.3119.7144.257.90000121.3
86S26.6Very low39.8Very low122 Ų122107.4 Ų107.485%0.85370%0.696SS**  -169.2145.2108.556.60000112.3
87S27.1Very low36.7Very low127 Ų127114.6 Ų114.689%0.88873%0.73SS**  trans-61.3151.9-173.641.10000117.6
88G24.9Very low33.7Very low78 Ų78117.3 Ų117.380%0.80475%0.751SS**  trans171.5108.6161.400000113
89E25.3Very low31Very low185 Ų185117.4 Ų117.486%0.86475%0.753SS**  trans-57.9145.1172.8-55.6177.4135.700112.5
90V28Very low28.7Very low137 Ų137119.7 Ų119.783%0.8377%0.769SS**  163.4130.4117.5-860000113.9
91M26.6Very low27.2Very low186 Ų186119.5 Ų119.592%0.91676%0.761SS**  trans54.8133.4141.2-111.3174.7-13900124.1
92D23.6Very low26.3Very low149 Ų149122 Ų12280%0.79777%0.765SS**  trans-51.8149.2170-72.6-57.4000115.9
93T24.2Very low26.1Very low152 Ų152122.9 Ų122.993%0.93377%0.769SS**  -158.7141.4126.90.90000111.4
94A22.9Very low25.8Very low80 Ų80122.8 Ų122.866%0.66177%0.768SS**  trans-83.8151.7-162.800000113.8
95T26.3Very low25.7Very low131 Ų131125.4 Ų125.480%0.80477%0.772SS**  79162.1129.9109.20000116.8
96P29.4Very low25.5Very low76 Ų76125.5 Ų125.549%0.49477%0.772SS.*  cis-133.9-175.2-49.715.410000113.2
97H24.5Very low25.4Very low154 Ų154125 Ų12571%0.71377%0.769SS**  trans117.6120.7140.7-49.3-66.2000119.8
98T21.5Very low25.4Very low114 Ų114124 Ų12470%0.69976%0.762SS**  trans60.3104.6130.758.40000118.4
99S27.2Very low25.5Very low63 Ų63125.3 Ų125.344%0.44176%0.759SS.*  56.2125.388.371.20000112.3
100S25.8Very low25.7Very low92 Ų92121.7 Ų121.764%0.64375%0.754SS**  161.3175.380.551.60000110
101S24.4Very low25.6Very low108 Ų108121 Ų12176%0.75576%0.755SS**  trans86.8142.7169.675.90000117.6
102L24.2Very low25.8Very low154 Ų154117.6 Ų117.681%0.80675%0.75SS**  cis169.8140.4-28.2-106155.2000103.1
103P27.6Very low26Very low123 Ų123116 Ų11680%0.79975%0.751SS**  trans-94.3152.5-171.436.2-31.2000112.8
104S24Very low26.5Very low123 Ų123114.3 Ų114.386%0.8675%0.745SS**  trans-109.1149.4173.5-27.50000111.3
105I26.3Very low26.8Very low165 Ų165115.6 Ų115.685%0.84675%0.749SS**  trans-67.7142.6-172.4-63.6147.8000112.7
106S25.8Very low27.4Very low116 Ų116115.4 Ų115.481%0.81175%0.753SS**  173.4148.4124.544.40000114
107S24.8Very low27.4Very low111 Ų111119.3 Ų119.378%0.77677%0.769SS**  trans-74.5147.7-170.4470000116.4
108S26.7Very low28Very low107 Ų107119.4 Ų119.475%0.74877%0.773SS**  169.7116.7115.957.70000114.1
109S27.3Very low28.5Very low105 Ų105119.1 Ų119.173%0.73477%0.773SS**  trans44.3123.8137.657.10000124.3
110S27.7Very low28.8Very low109 Ų109127.8 Ų127.876%0.76280%0.796SS**  trans72.3110.5132.865.10000121.2
111S27.7Very low29.2Very low122 Ų122127.4 Ų127.485%0.85379%0.794SS**  -178.6142.3100.854.50000111.8
112S30.6Very low30.1Very low116 Ų116128.2 Ų128.281%0.81180%0.799SS**  trans-64.6134.7-176.746.70000116.1
113S27.9Very low30.8Very low116 Ų116125.3 Ų125.381%0.81179%0.792SS**  trans-172.5130.3138.544.30000111.4
114S34.7Very low31.9Very low116 Ų116122.5 Ų122.581%0.81178%0.779SS**  trans-55.3126.717846.20000114.3
115S28.5Very low33.2Very low107 Ų107119.3 Ų119.375%0.74876%0.755SS**  trans-161.1117.2157.3-67.40000109.1L117S115-L117 PolarHBondContact O-N 3.4Å
116S38.3Very low34.9Very low127 Ų127121.2 Ų121.289%0.88876%0.761SS**  trans-59108.2-178.7-36.80000111.6
117L30.1Very low37.5Very low157 Ų157116.9 Ų116.982%0.82273%0.729SS**  trans-132.7112167.1-75.2168.2000108.5S115 P119S115-L117 PolarHBondContact O-N 3.4Å; L117-P119 WeakPolarHBondContact O-CD 3.47Å
118I36.2Very low40.5Very low157 Ų157119.4 Ų119.481%0.80573%0.729SS**  trans-53.7118.3175.1-61162.2000109.1R120I118-R120 PolarHBondContact O-N 2.96Å
119P32.2Very low43.5Very low108 Ų108116.1 Ų116.170%0.70170%0.702SS**  trans-82.3111.8162.413.43000107.5L117 S121L117-P119 WeakPolarHBondContact O-CD 3.47Å; P119-S121 PolarHBondContact O-N 2.99Å
120R35Very low46.6Very low244 Ų244114 Ų11492%0.92168%0.682SS**  trans-68.374.3158.3-76.1-175.3177.4-178.1-1108.4I118I118-R120 PolarHBondContact O-N 2.96Å
121S33.9Very low49.6Very low85 Ų85117.1 Ų117.159%0.59468%0.684SS**  trans-75.6121.5148.552.80000105.9P119 S123P119-S121 PolarHBondContact O-N 2.99Å; S121-S123 PolarHBondContact O-N 2.91Å
122S41.6Very low52.8Low125 Ų125112.2 Ų112.287%0.87465%0.648SS**  trans-6380.3158.151.70000107.1A124S122-A124 PolarHBondContact O-N 3.29Å; S122-A124 VanDerWaalsContact O-N 3.15Å
123S40Very low55.8Low93 Ų93107 Ų10765%0.6561%0.611SS**  trans-61.4113.7165.349.10000105.3S121S121-S123 PolarHBondContact O-N 2.91Å
124A49.8Very low58.9Low64 Ų64105.1 Ų105.153%0.52959%0.59SS.*  trans-46135.815900000107.1S122 Q126S122-A124 PolarHBondContact O-N 3.29Å; S122-A124 VanDerWaalsContact O-N 3.15Å; A124-Q126 PolarHBondContact O-N 2.97Å
125P51.7Low61.8Low56 Ų56105 Ų10536%0.36457%0.572SS.*  trans-50.4133-176.720.3-31.3000109.2V127P125-V127 HydrophobicContact CB-CG2 3.77Å; P125-V127 HydrophobicContact CG-CG2 3.99Å; P125-V127 PolarHBondContact O-N 3.35Å
126Q62.3Low64.9Low205 Ų20599.9 Ų99.996%0.95854%0.537SS*.  trans-70.171.7172-86.4-173.1-28.100108.2A124A124-Q126 PolarHBondContact O-N 2.97Å
127V80.8Confident67.4Low25 Ų2596.1 Ų96.115%0.15251%0.513CS..  trans-85.9126.3172.7-167.80000107.7P125 E129 P376 Y384P125-V127 HydrophobicContact CB-CG2 3.77Å; P125-V127 HydrophobicContact CG-CG2 3.99Å; P125-V127 PolarHBondContact O-N 3.35Å; V127-E129 PolarHBondContact O-N 3.06Å; V127-P376 HydrophobicContact CG1-CB 3.73Å; V127-P376 HydrophobicContact CG1-CG 4.49Å; V127-Y384 HydrophobicContact CG1-CE1 4.47Å
128Q87.1Confident70.3Confident164 Ų16496.9 Ų96.977%0.76651%0.51SS*.  trans-76.7112.1173.2-176.4171.95.200108.4
129E90.4Very high72.9Confident38 Ų3891.6 Ų91.618%0.17848%0.482CS..  trans-73.4157.3174.3-66.9173.6155.700110.8V127 D133 Q134 R378V127-E129 PolarHBondContact O-N 3.06Å; E129-D133 HydrophobicContact CB-CB 4.31Å; E129-Q134 HydrophobicContact CB-CG 4.17Å; E129-Q134 PolarHBondContact O-NE2 2.9Å; E129-R378 HydrophobicContact CG-CG 3.97Å; E129-R378 VanDerWaalsContact OE1-CB 3.31Å; E129-R378 WeakPolarHBondContact OE1-CB 3.47Å; E129-R378 VanDerWaalsContact OE1-CG 3.27Å; E129-R378 WeakPolarHBondContact OE1-CG 3.32Å; E129-R378 PolarHBondContact OE1-N 3.25Å
130D91.6Very high75.6Confident61 Ų6190.2 Ų90.233%0.32647%0.469SS..  trans-64.7155.4178.3-68-15.4000111.5I132 D133 Q134 K388D130-I132 VanDerWaalsContact C-N 3.26Å; D130-I132 HydrophobicContact CB-CG2 4.27Å; D130-I132 PolarHBondContact O-N 3.16Å; D130-D133 PolarHBondContact O-N 3.09Å; D130-Q134 WeakPolarHBondContact O-CG 3.46Å; D130-Q134 PolarHBondContact O-N 2.92Å; D130-K388 VanDerWaalsContact OD2-CE 3.29Å; D130-K388 WeakPolarHBondContact OD2-CE 3.41Å; D130-K388 IonicContact OD2-NZ 3.85Å; D130-K388 PolarHBondContact OD2-NZ 3.28Å
131Q92Very high78.1Confident173 Ų17379.2 Ų79.281%0.80843%0.432SS*.Hα-helixtrans-57.6-39.6-175.8-62.3-177.113.300112.4Q134 Y135Q131-Q134 PolarHBondContact O-N 3.14Å; Q131-Y135 WeakPolarHBondContact O-CB 3.47Å; Q131-Y135 PolarHBondContact O-N 3.41Å
132I93.9Very high80.8Confident19 Ų1979 Ų7910%0.09742%0.42CS..Hα-helixtrans-64-40.2177-172.658.1000111.9D130 Y135 L136 E280 I288D130-I132 VanDerWaalsContact C-N 3.26Å; D130-I132 HydrophobicContact CB-CG2 4.27Å; D130-I132 PolarHBondContact O-N 3.16Å; I132-Y135 HydrophobicContact CD1-CD1 4.18Å; I132-Y135 WeakPolarHBondContact O-CB 3.36Å; I132-Y135 PolarHBondContact O-N 3.03Å; I132-L136 HydrophobicContact CD1-CD1 4.25Å; I132-L136 HydrophobicContact CD1-CG 4.17Å; I132-L136 HydrophobicContact CG1-CD1 4.05Å; I132-L136 HydrophobicContact CG1-CG 4.37Å; I132-L136 WeakPolarHBondContact O-CG 3.45Å; I132-L136 PolarHBondContact O-N 3.3Å; I132-E280 HydrophobicContact CD1-CB 4.4Å; I132-I288 HydrophobicContact CG1-CG1 4.31Å
133D93.8Very high83.1Confident6 Ų674 Ų743%0.03238%0.383CS..Hα-helixtrans-69.3-40-179.4-65.5-45.3000110.8E129 D130 Y135 L136 A137 H187 K388E129-D133 HydrophobicContact CB-CB 4.31Å; D130-D133 PolarHBondContact O-N 3.09Å; D133-Y135 VanDerWaalsContact C-N 3.28Å; D133-Y135 PolarHBondContact O-N 3.39Å; D133-L136 PolarHBondContact O-N 2.85Å; D133-A137 WeakPolarHBondContact O-CB 3.28Å; D133-A137 PolarHBondContact O-N 2.94Å; D133-H187 IonicContact OD1-CD2 2.84Å; D133-H187 IonicContact OD1-CE1 3.9Å; D133-H187 PolarHBondContact OD1-CE1 3.04Å; D133-H187 IonicContact OD1-NE2 3.83Å; D133-H187 PolarHBondContact OD1-NE2 3.24Å; D133-K388 IonicContact OD1-NZ 2.77Å; D133-K388 IonicContact OD2-NZ 3.23Å; D133-K388 PolarHBondContact OD2-NZ 2.86Å
134Q93.7Very high85.4Confident78 Ų7876.7 Ų76.736%0.36438%0.38SS..Hα-helixtrans-64.6-33.4173.8-64.3-178.933.500112.7E129 D130 Q131 K138E129-Q134 HydrophobicContact CB-CG 4.17Å; E129-Q134 PolarHBondContact O-NE2 2.9Å; D130-Q134 WeakPolarHBondContact O-CG 3.46Å; D130-Q134 PolarHBondContact O-N 2.92Å; Q131-Q134 PolarHBondContact O-N 3.14Å; Q134-K138 WeakPolarHBondContact O-CG 3.46Å
135Y94.3Very high87.2Confident113 Ų11377.7 Ų77.744%0.44337%0.37SS..Hα-helixtrans-71.5-51.2176.9171.4-97.4000110.9Q131 I132 D133 A137 K138 Q139 E280Q131-Y135 WeakPolarHBondContact O-CB 3.47Å; Q131-Y135 PolarHBondContact O-N 3.41Å; I132-Y135 HydrophobicContact CD1-CD1 4.18Å; I132-Y135 WeakPolarHBondContact O-CB 3.36Å; I132-Y135 PolarHBondContact O-N 3.03Å; D133-Y135 VanDerWaalsContact C-N 3.28Å; D133-Y135 PolarHBondContact O-N 3.39Å; Y135-A137 VanDerWaalsContact C-N 3.32Å; Y135-A137 PolarHBondContact O-N 3.33Å; Y135-K138 WeakPolarHBondContact O-CB 3.27Å; Y135-K138 PolarHBondContact O-N 3.49Å; Y135-K138 VanDerWaalsContact O-N 3.13Å; Y135-Q139 PolarHBondContact OH-NE2 3.42Å; Y135-Q139 VanDerWaalsContact OH-NE2 3.09Å; Y135-E280 HydrophobicContact CE1-CB 4.28Å; Y135-E280 WeakPolarHBondContact CE1-OE2 3.42Å; Y135-E280 PolarHBondContact OH-OE2 3.18Å
136L93.6Very high88.8Confident0 Ų082.5 Ų82.50%039%0.393CS..Hα-helixtrans-64.4-34.2178.1-68.6177.3000112.6I132 D133 K138 Q139 H187 E280 I288I132-L136 HydrophobicContact CD1-CD1 4.25Å; I132-L136 HydrophobicContact CD1-CG 4.17Å; I132-L136 HydrophobicContact CG1-CD1 4.05Å; I132-L136 HydrophobicContact CG1-CG 4.37Å; I132-L136 WeakPolarHBondContact O-CG 3.45Å; I132-L136 PolarHBondContact O-N 3.3Å; D133-L136 PolarHBondContact O-N 2.85Å; L136-K138 PolarHBondContact O-N 3.21Å; L136-K138 VanDerWaalsContact O-N 3.14Å; L136-Q139 PolarHBondContact O-N 2.9Å; L136-H187 VanDerWaalsContact CD1-CD2 3.49Å; L136-H187 WeakPolarHBondContact CD1-CD2 3.37Å; L136-E280 HydrophobicContact CD2-CG 4.26Å; L136-I288 HydrophobicContact CD1-CD1 3.92Å; L136-I288 HydrophobicContact CD1-CG1 3.45Å; L136-I288 VanDerWaalsContact CD1-CG1 3.45Å
137A90.5Very high89.8Confident48 Ų4879 Ų7940%0.39737%0.371SS..THydrogen-bonded Turntrans-61.5-22.4175.800000113.6D133 Y135 R191D133-A137 WeakPolarHBondContact O-CB 3.28Å; D133-A137 PolarHBondContact O-N 2.94Å; Y135-A137 VanDerWaalsContact C-N 3.32Å; Y135-A137 PolarHBondContact O-N 3.33Å; A137-R191 PolarHBondContact O-NH2 2.81Å
138K91.4Very high90Very high173 Ų17380.4 Ų80.475%0.75238%0.377SS*.THydrogen-bonded Turntrans-84.5-21.5176.4-66.8169.6-172.61710113Q134 Y135 L136Q134-K138 WeakPolarHBondContact O-CG 3.46Å; Y135-K138 WeakPolarHBondContact O-CB 3.27Å; Y135-K138 PolarHBondContact O-N 3.49Å; Y135-K138 VanDerWaalsContact O-N 3.13Å; L136-K138 PolarHBondContact O-N 3.21Å; L136-K138 VanDerWaalsContact O-N 3.14Å
139Q91.9Very high89.8Confident45 Ų4578.1 Ų78.121%0.2138%0.377CS..  trans-82.4144-179.3-62.2-175.5-1100111.5Y135 L136 R191 E280 L286Y135-Q139 PolarHBondContact OH-NE2 3.42Å; Y135-Q139 VanDerWaalsContact OH-NE2 3.09Å; L136-Q139 PolarHBondContact O-N 2.9Å; Q139-R191 PolarHBondContact O-NH2 3Å; Q139-E280 PolarHBondContact NE2-OE1 2.96Å; Q139-E280 PolarHBondContact NE2-OE2 3.45Å; Q139-E280 PolarHBondContact OE1-OE1 3.27Å; Q139-L286 HydrophobicContact CB-CD2 3.8Å
140D87.3Confident89.5Confident79 Ų7984.5 Ų84.542%0.42241%0.407SS..  trans-76.9-29.7177.169.8-14.3000112.4K142 Y144D140-K142 HydrophobicContact CB-CG 4.18Å; D140-K142 PolarHBondContact O-N 2.98Å; D140-K142 PolarHBondContact OD1-N 2.83Å; D140-Y144 PolarHBondContact OD2-OH 3.15Å
141G88.1Confident89.3Confident14 Ų1486.1 Ų86.114%0.14442%0.415CS..  trans68.315.9-179.400000113.5P168G141-P168 WeakPolarHBondContact O-CB 3.5Å
142K90.9Very high89.1Confident80 Ų8078 Ų7835%0.34838%0.377SS..  trans-75137.8-175.8-69.2-168.8175.4-146.70111.1D140 Y144 P165 E167D140-K142 HydrophobicContact CB-CG 4.18Å; D140-K142 PolarHBondContact O-N 2.98Å; D140-K142 PolarHBondContact OD1-N 2.83Å; K142-Y144 HydrophobicContact CB-CD2 4.48Å; K142-Y144 HydrophobicContact CB-CE2 3.84Å; K142-Y144 WeakPolarHBondContact O-CD2 3.26Å; K142-Y144 WeakPolarHBondContact O-CE2 3.28Å; K142-Y144 PolarHBondContact O-N 3.49Å; K142-P165 HydrophobicContact CB-CB 4.12Å; K142-P165 HydrophobicContact CD-CB 4.46Å; K142-E167 WeakPolarHBondContact CE-OE1 3.4Å; K142-E167 IonicContact NZ-OE1 3.78Å; K142-E167 PolarHBondContact NZ-OE1 3.06Å
143I90.1Very high88.8Confident20 Ų2088.7 Ų88.710%0.10342%0.416CS..BIsolated β-bridgetrans-92.8105.5-179.7-58.1147.9000108.2P165 L166 Y173 P285I143-P165 CarbonylContact O-C 3.53Å; I143-P165 WeakPolarHBondContact O-CA 3.43Å; I143-L166 HydrophobicContact CB-CB 4.19Å; I143-L166 HydrophobicContact CD1-CB 4.24Å; I143-L166 PolarHBondContact N-O 3.44Å; I143-L166 PolarHBondContact O-N 3.24Å; I143-Y173 HydrophobicContact CD1-CD1 3.4Å; I143-Y173 VanDerWaalsContact CD1-CD1 3.4Å; I143-Y173 HydrophobicContact CD1-CD2 4.39Å; I143-Y173 HydrophobicContact CD1-CE1 3.58Å; I143-Y173 HydrophobicContact CD1-CG 3.83Å; I143-Y173 HydrophobicContact CG1-CD1 4.36Å; I143-Y173 HydrophobicContact CG1-CE1 4.07Å; I143-Y173 HydrophobicContact CG2-CD2 4.08Å; I143-Y173 HydrophobicContact CG2-CE1 4.28Å; I143-Y173 HydrophobicContact CG2-CE2 3.58Å; I143-P285 HydrophobicContact CD1-CG 3.87Å; I143-P285 HydrophobicContact CG1-CG 3.98Å
144Y88.7Confident88.5Confident150 Ų15090.3 Ų90.359%0.58842%0.423SS*.PPolyproline II helixtrans-81.7121.8-178.2-68.6-92.5000110.7D140 K142 P165D140-Y144 PolarHBondContact OD2-OH 3.15Å; K142-Y144 HydrophobicContact CB-CD2 4.48Å; K142-Y144 HydrophobicContact CB-CE2 3.84Å; K142-Y144 WeakPolarHBondContact O-CD2 3.26Å; K142-Y144 WeakPolarHBondContact O-CE2 3.28Å; K142-Y144 PolarHBondContact O-N 3.49Å; Y144-P165 HydrophobicContact CD1-CB 4.08Å; Y144-P165 HydrophobicContact CD1-CG 3.53Å; Y144-P165 HydrophobicContact CE1-CB 4.16Å; Y144-P165 HydrophobicContact CE1-CG 3.56Å; Y144-P165 HydrophobicContact CG-CB 4.44Å; Y144-P165 HydrophobicContact CG-CG 4.33Å
145R87.2Confident88.1Confident85 Ų8589 Ų8932%0.32143%0.432SS..PPolyproline II helixtrans-102.9142178.5-65-177.4-65.8175.10.3111.1V161 V164 L166R145-V161 PolarHBondContact NH2-O 3.34Å; R145-V164 PolarHBondContact NE-O 3.3Å; R145-V164 PolarHBondContact NH2-O 2.86Å; R145-L166 VanDerWaalsContact CZ-CD2 3.41Å; R145-L166 VanDerWaalsContact NH2-CD2 3.31Å
146N85.2Confident87.6Confident156 Ų15688.4 Ų88.483%0.83445%0.449SS*.PPolyproline II helixtrans-69.5158.1171-72.7-37000110.8D148N146-D148 PolarHBondContact O-N 3.5Å
147R83.7Confident87.2Confident133 Ų13396.9 Ų96.950%0.50249%0.494SS..PPolyproline II helixtrans-63.8124.5175-179.7-175.7159-164.5-5.7109.6P149 C152R147-P149 WeakPolarHBondContact O-CD 3.29Å; R147-C152 HydrophobicContact CG-CB 3.47Å; R147-C152 VanDerWaalsContact CG-CB 3.47Å
148D84.7Confident86.9Confident54 Ų5496.1 Ų96.129%0.28949%0.49SS..PPolyproline II helixtrans-72.2120171.2-171.1-53.9000110N146 Q150 L151 C152N146-D148 PolarHBondContact O-N 3.5Å; D148-Q150 PolarHBondContact O-N 3.02Å; D148-Q150 WeakPolarHBondContact OD1-CA 3.46Å; D148-Q150 PolarHBondContact OD1-N 3.21Å; D148-L151 HydrophobicContact CB-CB 4.1Å; D148-L151 PolarHBondContact OD1-N 2.93Å; D148-C152 PolarHBondContact N-SG 3.09Å; D148-C152 WeakPolarHBondContact O-CB 3.31Å; D148-C152 PolarHBondContact O-N 2.71Å; D148-C152 PolarHBondContact O-SG 2.85Å
149P82.1Confident86.7Confident116 Ų11694.8 Ų94.875%0.75349%0.485SS*.THydrogen-bonded Turntrans-66-23.8-177.225.6-32.8000113.8R147R147-P149 WeakPolarHBondContact O-CD 3.29Å
150Q85.1Confident86.6Confident172 Ų17294.4 Ų94.480%0.80449%0.486SS*.THydrogen-bonded Turntrans-97-38.5-177.6-62.4-170.3-1.900112.6D148D148-Q150 PolarHBondContact O-N 3.02Å; D148-Q150 WeakPolarHBondContact OD1-CA 3.46Å; D148-Q150 PolarHBondContact OD1-N 3.21Å
151L87.4Confident86.6Confident94 Ų9496.1 Ų96.149%0.49250%0.5SS..THydrogen-bonded Turntrans-94.2-26.8-174-64.5170.3000113.4D148 R153 H162D148-L151 HydrophobicContact CB-CB 4.1Å; D148-L151 PolarHBondContact OD1-N 2.93Å; L151-R153 PolarHBondContact O-N 3.08Å; L151-H162 HydrophobicContact CB-CB 4.22Å
152C87.6Confident86.4Confident4 Ų499.4 Ų99.43%0.02751%0.511CS..  trans-84.8104.1-178.6-62.80000112.8R147 D148 H154R147-C152 HydrophobicContact CG-CB 3.47Å; R147-C152 VanDerWaalsContact CG-CB 3.47Å; D148-C152 PolarHBondContact N-SG 3.09Å; D148-C152 WeakPolarHBondContact O-CB 3.31Å; D148-C152 PolarHBondContact O-N 2.71Å; D148-C152 PolarHBondContact O-SG 2.85Å; C152-H154 WeakPolarHBondContact CB-NE2 2.95Å; C152-H154 PolarHBondContact O-N 2.85Å
153R87.5Confident86.2Confident243 Ų24396.2 Ų96.292%0.91750%0.499SS*.  trans-94.852.7175.1-58.6-176.3-175.8-176.71.6113.1L151L151-R153 PolarHBondContact O-N 3.08Å
154H87.6Confident86.3Confident39 Ų3998.3 Ų98.318%0.18151%0.512CS..SBendtrans-142.2162.2176.657.576.1000111.7C152 G158 C160 C163C152-H154 WeakPolarHBondContact CB-NE2 2.95Å; C152-H154 PolarHBondContact O-N 2.85Å; H154-G158 PolarHBondContact CE1-O 3.2Å; H154-G158 VanDerWaalsContact ND1-C 3.33Å; H154-G158 PolarHBondContact ND1-O 2.88Å; H154-C160 PolarHBondContact CD2-SG 3.25Å; H154-C160 PolarHBondContact NE2-N 2.79Å; H154-C160 PolarHBondContact NE2-SG 3.47Å; H154-C163 PolarHBondContact CE1-SG 2.9Å; H154-C163 PolarHBondContact NE2-SG 2.73Å
155G86.1Confident86.4Confident52 Ų5292.1 Ų92.154%0.53649%0.49SS..  trans-66.7175.9174.100000113L157 G158G155-L157 VanDerWaalsContact C-N 3.27Å; G155-L157 PolarHBondContact O-N 2.65Å; G155-G158 PolarHBondContact O-N 3.15Å
156A84Confident86.6Confident99 Ų9989.2 Ų89.282%0.81848%0.481SS*.THydrogen-bonded Turntrans-59.2-30.9-173.200000114.9
157L84.3Confident86.9Confident179 Ų17985.2 Ų85.294%0.93746%0.458SS*.THydrogen-bonded Turntrans-94.7-7.3179.3-63.8172.9000113.6G155G155-L157 VanDerWaalsContact C-N 3.27Å; G155-L157 PolarHBondContact O-N 2.65Å
158G84.5Confident87.3Confident31 Ų3179 Ų7932%0.3243%0.434SS..  trans-75.5153175.500000111.2H154 G155H154-G158 PolarHBondContact CE1-O 3.2Å; H154-G158 VanDerWaalsContact ND1-C 3.33Å; H154-G158 PolarHBondContact ND1-O 2.88Å; G155-G158 PolarHBondContact O-N 3.15Å
159K87.3Confident87.7Confident145 Ų14578.7 Ų78.763%0.6343%0.43SS*.  trans-124.9142167.3-64.8-173.6-179.9-176.10109.2
160C88.4Confident88.1Confident37 Ų3775.2 Ų75.225%0.2541%0.405CS..  trans-128.9-179.1171.370.50000110.2H154 H162 C163 V164H154-C160 PolarHBondContact CD2-SG 3.25Å; H154-C160 PolarHBondContact NE2-N 2.79Å; H154-C160 PolarHBondContact NE2-SG 3.47Å; C160-H162 PolarHBondContact O-N 2.87Å; C160-H162 VanDerWaalsContact O-N 3.09Å; C160-C163 PolarHBondContact N-SG 2.88Å; C160-C163 PolarHBondContact O-N 3.3Å; C160-C163 VanDerWaalsContact O-N 3.08Å; C160-V164 WeakPolarHBondContact O-CB 3.17Å; C160-V164 PolarHBondContact O-N 3.44Å
161V87.1Confident88.3Confident116 Ų11671.6 Ų71.670%0.70339%0.389SS*.THydrogen-bonded Turntrans-55.8-29.1-179.2-175.10000112.8R145R145-V161 PolarHBondContact NH2-O 3.34Å
162H85.3Confident88.4Confident83 Ų8372.6 Ų72.638%0.38439%0.394SS..THydrogen-bonded Turntrans-84-14.3-178.3-57.6-67.4000114.5L151 C160L151-H162 HydrophobicContact CB-CB 4.22Å; C160-H162 PolarHBondContact O-N 2.87Å; C160-H162 VanDerWaalsContact O-N 3.09Å
163C87.1Confident88.4Confident12 Ų1276 Ų768%0.08141%0.407CS..THydrogen-bonded Turntrans-130.91.5-17968.70000113.8H154 C160H154-C163 PolarHBondContact CE1-SG 2.9Å; H154-C163 PolarHBondContact NE2-SG 2.73Å; C160-C163 PolarHBondContact N-SG 2.88Å; C160-C163 PolarHBondContact O-N 3.3Å; C160-C163 VanDerWaalsContact O-N 3.08Å
164V90.6Very high88.5Confident64 Ų6464.8 Ų64.839%0.38837%0.366SS..SBendtrans-63.5138.7168.169.60000108.6R145 C160 L166R145-V164 PolarHBondContact NE-O 3.3Å; R145-V164 PolarHBondContact NH2-O 2.86Å; C160-V164 WeakPolarHBondContact O-CB 3.17Å; C160-V164 PolarHBondContact O-N 3.44Å; V164-L166 PolarHBondContact O-N 3.16Å
165P91.2Very high88.7Confident20 Ų2067.6 Ų67.613%0.1338%0.382CS..PPolyproline II helixtrans-56.4136.3174.4-24.234.2000110.6K142 I143 Y144K142-P165 HydrophobicContact CB-CB 4.12Å; K142-P165 HydrophobicContact CD-CB 4.46Å; I143-P165 CarbonylContact O-C 3.53Å; I143-P165 WeakPolarHBondContact O-CA 3.43Å; Y144-P165 HydrophobicContact CD1-CB 4.08Å; Y144-P165 HydrophobicContact CD1-CG 3.53Å; Y144-P165 HydrophobicContact CE1-CB 4.16Å; Y144-P165 HydrophobicContact CE1-CG 3.56Å; Y144-P165 HydrophobicContact CG-CB 4.44Å; Y144-P165 HydrophobicContact CG-CG 4.33Å
166L91.9Very high88.8Confident25 Ų2572.7 Ų72.713%0.13139%0.391CS..BIsolated β-bridgetrans-80.4153.8174.3-61.1174000109.8I143 R145 V164 D170 Y173I143-L166 HydrophobicContact CB-CB 4.19Å; I143-L166 HydrophobicContact CD1-CB 4.24Å; I143-L166 PolarHBondContact N-O 3.44Å; I143-L166 PolarHBondContact O-N 3.24Å; R145-L166 VanDerWaalsContact CZ-CD2 3.41Å; R145-L166 VanDerWaalsContact NH2-CD2 3.31Å; V164-L166 PolarHBondContact O-N 3.16Å; L166-D170 HydrophobicContact CB-CB 4.27Å; L166-Y173 HydrophobicContact CD1-CD2 4.25Å; L166-Y173 HydrophobicContact CD1-CG 4.43Å
167E92Very high88.9Confident72 Ų7269.8 Ų69.834%0.33636%0.362SS..PPolyproline II helixtrans-76.3150.3172.6-64.6-63.8145.900109.7K142 F169 D170K142-E167 WeakPolarHBondContact CE-OE1 3.4Å; K142-E167 IonicContact NZ-OE1 3.78Å; K142-E167 PolarHBondContact NZ-OE1 3.06Å; E167-F169 HydrophobicContact CB-CD1 4.19Å; E167-F169 HydrophobicContact CB-CD2 4.46Å; E167-F169 HydrophobicContact CB-CE1 3.73Å; E167-F169 HydrophobicContact CB-CE2 4.03Å; E167-F169 HydrophobicContact CB-CZ 3.64Å; E167-F169 HydrophobicContact CG-CE1 4.32Å; E167-F169 HydrophobicContact CG-CZ 3.99Å; E167-F169 PolarHBondContact O-N 2.86Å; E167-D170 WeakPolarHBondContact O-CB 3.48Å; E167-D170 PolarHBondContact O-N 3.15Å; E167-D170 VanDerWaalsContact O-N 3.12Å
168P91.7Very high88.7Confident2 Ų269 Ų691%0.01336%0.359CS..THydrogen-bonded Turntrans-62-16.7-174.920.2-31.5000114.7G141 A188 R191 P285 L286G141-P168 WeakPolarHBondContact O-CB 3.5Å; P168-A188 HydrophobicContact CB-CB 3.92Å; P168-A188 HydrophobicContact CG-CB 4.39Å; P168-R191 HydrophobicContact CG-CB 4.26Å; P168-R191 HydrophobicContact CG-CG 4.36Å; P168-P285 HydrophobicContact CB-CB 3.67Å; P168-L286 HydrophobicContact CB-CD1 4.24Å; P168-L286 HydrophobicContact CG-CD1 4.12Å
169F91.9Very high88.6Confident47 Ų4772 Ų7221%0.20637%0.372CS..THydrogen-bonded Turntrans-104.115.1-178.255.6-99.7000113.3E167 E171 M184 A188 R191 K192E167-F169 HydrophobicContact CB-CD1 4.19Å; E167-F169 HydrophobicContact CB-CD2 4.46Å; E167-F169 HydrophobicContact CB-CE1 3.73Å; E167-F169 HydrophobicContact CB-CE2 4.03Å; E167-F169 HydrophobicContact CB-CZ 3.64Å; E167-F169 HydrophobicContact CG-CE1 4.32Å; E167-F169 HydrophobicContact CG-CZ 3.99Å; E167-F169 PolarHBondContact O-N 2.86Å; F169-E171 PolarHBondContact O-N 3.5Å; F169-M184 HydrophobicContact CB-CE 4.21Å; F169-M184 HydrophobicContact CB-SD 3.81Å; F169-A188 HydrophobicContact CB-CB 4.37Å; F169-R191 HydrophobicContact CD1-CB 4.39Å; F169-R191 HydrophobicContact CE1-CB 4.43Å; F169-K192 HydrophobicContact CB-CB 4.36Å; F169-K192 HydrophobicContact CB-CD 4.32Å; F169-K192 HydrophobicContact CD1-CB 3.7Å; F169-K192 HydrophobicContact CD1-CG 4.34Å; F169-K192 HydrophobicContact CD2-CB 4.21Å; F169-K192 HydrophobicContact CD2-CD 3.97Å; F169-K192 HydrophobicContact CD2-CG 3.97Å; F169-K192 HydrophobicContact CE1-CB 4Å; F169-K192 HydrophobicContact CE1-CG 4.49Å; F169-K192 HydrophobicContact CE2-CB 4.48Å; F169-K192 HydrophobicContact CE2-CG 4.13Å; F169-K192 HydrophobicContact CG-CB 3.82Å; F169-K192 HydrophobicContact CG-CD 4.12Å; F169-K192 HydrophobicContact CG-CG 4.08Å; F169-K192 HydrophobicContact CZ-CB 4.38Å; F169-K192 HydrophobicContact CZ-CG 4.39Å
170D91.5Very high88.6Confident43 Ų4368.8 Ų68.823%0.2337%0.366CS..  trans-65114.4178-170.5-88.9000110.9L166 E167 D172 Y173 L174L166-D170 HydrophobicContact CB-CB 4.27Å; E167-D170 WeakPolarHBondContact O-CB 3.48Å; E167-D170 PolarHBondContact O-N 3.15Å; E167-D170 VanDerWaalsContact O-N 3.12Å; D170-D172 VanDerWaalsContact C-N 3.35Å; D170-D172 PolarHBondContact O-N 3.06Å; D170-D172 PolarHBondContact OD1-N 2.67Å; D170-Y173 PolarHBondContact O-N 3.05Å; D170-Y173 PolarHBondContact OD1-N 2.84Å; D170-L174 WeakPolarHBondContact O-CG 3.25Å; D170-L174 PolarHBondContact O-N 2.59Å
171E89.3Confident88.6Confident97 Ų9767.8 Ų67.845%0.45336%0.359SS..Hα-helixtrans-68-35.4-172.8-64.7-178.6-177.900111.7F169 L174 N175 K192F169-E171 PolarHBondContact O-N 3.5Å; E171-L174 PolarHBondContact O-N 2.75Å; E171-N175 WeakPolarHBondContact O-CB 3.48Å; E171-N175 PolarHBondContact O-N 3.14Å; E171-N175 VanDerWaalsContact O-N 3.08Å; E171-N175 PolarHBondContact O-ND2 3.46Å; E171-K192 IonicContact OE1-NZ 3.6Å
172D89.4Confident88.7Confident114 Ų11469.5 Ų69.561%0.6136%0.357SS*.Hα-helixtrans-64.4-47.3177.7-68.6-32.4000110.1D170 L174 N175 H176D170-D172 VanDerWaalsContact C-N 3.35Å; D170-D172 PolarHBondContact O-N 3.06Å; D170-D172 PolarHBondContact OD1-N 2.67Å; D172-L174 PolarHBondContact O-N 2.86Å; D172-N175 PolarHBondContact O-N 2.7Å; D172-H176 PolarHBondContact O-N 2.9Å; D172-H176 PolarHBondContact O-ND1 3.45Å
173Y88.4Confident89Confident76 Ų7666.9 Ų66.930%0.29835%0.345SS..Hα-helixtrans-58.7-49177179.7-97.2000112.6I143 L166 D170 N175 H176 L177 P285I143-Y173 HydrophobicContact CD1-CD1 3.4Å; I143-Y173 VanDerWaalsContact CD1-CD1 3.4Å; I143-Y173 HydrophobicContact CD1-CD2 4.39Å; I143-Y173 HydrophobicContact CD1-CE1 3.58Å; I143-Y173 HydrophobicContact CD1-CG 3.83Å; I143-Y173 HydrophobicContact CG1-CD1 4.36Å; I143-Y173 HydrophobicContact CG1-CE1 4.07Å; I143-Y173 HydrophobicContact CG2-CD2 4.08Å; I143-Y173 HydrophobicContact CG2-CE1 4.28Å; I143-Y173 HydrophobicContact CG2-CE2 3.58Å; L166-Y173 HydrophobicContact CD1-CD2 4.25Å; L166-Y173 HydrophobicContact CD1-CG 4.43Å; D170-Y173 PolarHBondContact O-N 3.05Å; D170-Y173 PolarHBondContact OD1-N 2.84Å; Y173-N175 VanDerWaalsContact C-N 3.28Å; Y173-N175 PolarHBondContact O-N 3.32Å; Y173-H176 PolarHBondContact O-N 3.1Å; Y173-H176 VanDerWaalsContact O-N 3.1Å; Y173-L177 HydrophobicContact CD1-CD1 4.39Å; Y173-L177 HydrophobicContact CE1-CD1 3.99Å; Y173-L177 HydrophobicContact CE1-CD2 3.98Å; Y173-L177 HydrophobicContact CE1-CG 4.18Å; Y173-L177 PolarHBondContact O-N 2.78Å; Y173-P285 HydrophobicContact CE1-CG 4.22Å
174L89.3Confident89.4Confident8 Ų866.8 Ų66.84%0.04234%0.344CS..Hα-helixtrans-62-35.8-177.9-66.3173.7000112.4D170 E171 D172 H176 L177 V181 M184D170-L174 WeakPolarHBondContact O-CG 3.25Å; D170-L174 PolarHBondContact O-N 2.59Å; E171-L174 PolarHBondContact O-N 2.75Å; D172-L174 PolarHBondContact O-N 2.86Å; L174-H176 VanDerWaalsContact C-N 3.34Å; L174-L177 HydrophobicContact CD2-CD1 4.14Å; L174-V181 HydrophobicContact CB-CB 4.22Å; L174-V181 HydrophobicContact CD2-CB 4.23Å; L174-V181 HydrophobicContact CD2-CG1 4.19Å; L174-V181 PolarHBondContact O-N 2.7Å; L174-M184 HydrophobicContact CD1-CB 3.89Å
175N90.8Very high89.6Confident97 Ų9763.8 Ų63.852%0.51933%0.325SS..Hα-helixtrans-72.9-23176.8-72.1-31.9000113.8E171 D172 Y173E171-N175 WeakPolarHBondContact O-CB 3.48Å; E171-N175 PolarHBondContact O-N 3.14Å; E171-N175 VanDerWaalsContact O-N 3.08Å; E171-N175 PolarHBondContact O-ND2 3.46Å; D172-N175 PolarHBondContact O-N 2.7Å; Y173-N175 VanDerWaalsContact C-N 3.28Å; Y173-N175 PolarHBondContact O-N 3.32Å
176H88.4Confident89.8Confident160 Ų16063.1 Ų63.174%0.74132%0.32SS*.Hα-helixtrans-89.1-7.3178.1-75.284.6000113.5D172 Y173 L174D172-H176 PolarHBondContact O-N 2.9Å; D172-H176 PolarHBondContact O-ND1 3.45Å; Y173-H176 PolarHBondContact O-N 3.1Å; Y173-H176 VanDerWaalsContact O-N 3.1Å; L174-H176 VanDerWaalsContact C-N 3.34Å
177L86.3Confident89.9Confident38 Ų3862.6 Ų62.620%0.19932%0.317CS..SBendtrans-65.1154172.7-68.2173.4000110.7Y173 L174 P179 P180 V181Y173-L177 HydrophobicContact CD1-CD1 4.39Å; Y173-L177 HydrophobicContact CE1-CD1 3.99Å; Y173-L177 HydrophobicContact CE1-CD2 3.98Å; Y173-L177 HydrophobicContact CE1-CG 4.18Å; Y173-L177 PolarHBondContact O-N 2.78Å; L174-L177 HydrophobicContact CD2-CD1 4.14Å; L177-P179 VanDerWaalsContact C-C 3.45Å; L177-P179 CarbonylContact C-O 3.5Å; L177-P179 CarbonylContact O-C 3.5Å; L177-P180 VanDerWaalsContact O-CA 3.23Å; L177-P180 WeakPolarHBondContact O-CA 3.34Å; L177-V181 HydrophobicContact CB-CG2 4.21Å; L177-V181 HydrophobicContact CD1-CB 4.33Å; L177-V181 HydrophobicContact CD1-CG2 3.58Å
178D79.4Confident90Very high163 Ų16359.2 Ų59.287%0.87230%0.302SS*.SBendtrans-118105176.8-173.220.3000109.5
179P83.7Confident90.1Very high92 Ų9261.9 Ų61.960%0.59731%0.312SS*.SBendcis-74.5159.5-0.731.5-35.8000113.5L177 V181L177-P179 VanDerWaalsContact C-C 3.45Å; L177-P179 CarbonylContact C-O 3.5Å; L177-P179 CarbonylContact O-C 3.5Å; P179-V181 PolarHBondContact O-N 3.13Å
180P86.3Confident90.1Very high79 Ų7960.7 Ų60.751%0.51331%0.307SS..  trans-65132.518025.3-34.3000111L177 K182L177-P180 VanDerWaalsContact O-CA 3.23Å; L177-P180 WeakPolarHBondContact O-CA 3.34Å; P180-K182 PolarHBondContact O-N 3.39Å
181V88.6Confident90Very high16 Ų1662.4 Ų62.410%0.09731%0.311CS..  trans-87.7104.9-176.5176.90000109.5L174 L177 P179 H183 I284L174-V181 HydrophobicContact CB-CB 4.22Å; L174-V181 HydrophobicContact CD2-CB 4.23Å; L174-V181 HydrophobicContact CD2-CG1 4.19Å; L174-V181 PolarHBondContact O-N 2.7Å; L177-V181 HydrophobicContact CB-CG2 4.21Å; L177-V181 HydrophobicContact CD1-CB 4.33Å; L177-V181 HydrophobicContact CD1-CG2 3.58Å; P179-V181 PolarHBondContact O-N 3.13Å; V181-H183 VanDerWaalsContact C-N 3.32Å; V181-H183 WeakPolarHBondContact CG1-O 3.16Å; V181-H183 PolarHBondContact O-N 2.88Å; V181-I284 HydrophobicContact CG1-CD1 4.1Å; V181-I284 HydrophobicContact CG1-CG1 4.48Å; V181-I284 HydrophobicContact CG1-CG2 4.49Å; V181-I284 HydrophobicContact CG2-CD1 4.01Å; V181-I284 HydrophobicContact CG2-CG1 3.99Å
182K88.9Confident90.1Very high152 Ų15261.6 Ų61.666%0.66131%0.306SS*.SBendtrans-67.4-30.7-178.8-59.8179.1-168.1163.60113.7P180 D473P180-K182 PolarHBondContact O-N 3.39Å; K182-D473 WeakPolarHBondContact CD-OD2 3Å; K182-D473 WeakPolarHBondContact CE-OD2 3.45Å; K182-D473 IonicContact NZ-OD2 3.21Å; K182-D473 PolarHBondContact NZ-OD2 3.01Å
183H92.4Very high90Very high27 Ų2759.5 Ų59.513%0.12529%0.294CS..SBendtrans-127.6128.3-171.8-62.7103.3000109.9V181 Q240 R243 D473V181-H183 VanDerWaalsContact C-N 3.32Å; V181-H183 WeakPolarHBondContact CG1-O 3.16Å; V181-H183 PolarHBondContact O-N 2.88Å; H183-Q240 PolarHBondContact CD2-O 2.8Å; H183-Q240 PolarHBondContact NE2-O 3.07Å; H183-R243 HydrophobicContact CB-CB 4.38Å; H183-R243 HydrophobicContact CB-CG 4.01Å; H183-D473 IonicContact CE1-OD1 2.81Å; H183-D473 PolarHBondContact CE1-OD1 3.46Å; H183-D473 IonicContact ND1-OD1 2.96Å; H183-D473 PolarHBondContact ND1-OD1 3.38Å
184M94.5Very high89.9Confident11 Ų1157.3 Ų57.35%0.05429%0.289CS..EExtended strand (participates in β ladder)trans-72.5154.7172.270.3-169.863.200110.7F169 L174 A188 Y189 K192 K241 Y242 R243F169-M184 HydrophobicContact CB-CE 4.21Å; F169-M184 HydrophobicContact CB-SD 3.81Å; L174-M184 HydrophobicContact CD1-CB 3.89Å; M184-A188 HydrophobicContact CB-CB 4.31Å; M184-Y189 HydrophobicContact SD-CD2 4.42Å; M184-K192 HydrophobicContact SD-CD 4.39Å; M184-K241 PolarHBondContact N-O 3.35Å; M184-K241 VanDerWaalsContact N-O 3.15Å; M184-Y242 WeakPolarHBondContact O-CA 3.35Å; M184-Y242 WeakPolarHBondContact O-CB 3.25Å; M184-R243 PolarHBondContact O-N 3.5Å; M184-R243 VanDerWaalsContact O-N 3.1Å
185S95.6Very high89.3Confident1 Ų159.2 Ų59.21%0.00731%0.31CS..EExtended strand (participates in β ladder)trans-62.6150.817366.80000111H187 A188 Y189 D246 P285 L286S185-H187 PolarHBondContact O-N 3.41Å; S185-A188 WeakPolarHBondContact O-CB 3.22Å; S185-A188 PolarHBondContact O-N 2.98Å; S185-A188 VanDerWaalsContact O-N 3.12Å; S185-A188 VanDerWaalsContact OG-CB 3.24Å; S185-A188 WeakPolarHBondContact OG-CB 3.4Å; S185-A188 PolarHBondContact OG-N 3.29Å; S185-A188 VanDerWaalsContact OG-N 3.16Å; S185-Y189 PolarHBondContact O-N 2.7Å; S185-D246 WeakPolarHBondContact CB-OD2 3.49Å; S185-P285 PolarHBondContact OG-O 2.95Å; S185-L286 WeakPolarHBondContact CB-O 3.49Å; S185-L286 PolarHBondContact OG-O 3.16Å
186F95.3Very high88.6Confident6 Ų657.6 Ų57.63%0.02632%0.317CS..Hα-helixtrans-57.9-38.6177.3176.9-119.1000111.9Y189 L190 L205 Y242 R243 H244 F385F186-Y189 HydrophobicContact CD2-CD1 4.21Å; F186-Y189 HydrophobicContact CE2-CD1 4.25Å; F186-Y189 CarbonylContact O-C 3.52Å; F186-Y189 WeakPolarHBondContact O-CA 3.38Å; F186-Y189 WeakPolarHBondContact O-CB 3.34Å; F186-Y189 PolarHBondContact O-N 3.23Å; F186-Y189 VanDerWaalsContact O-N 3.14Å; F186-L190 HydrophobicContact CD1-CD1 4.2Å; F186-L190 HydrophobicContact CD1-CG 4.38Å; F186-L190 HydrophobicContact CE1-CD1 3.75Å; F186-L190 HydrophobicContact CE1-CD2 4.18Å; F186-L190 HydrophobicContact CE1-CG 4.05Å; F186-L190 HydrophobicContact CE2-CD2 3.84Å; F186-L190 HydrophobicContact CE2-CG 4.21Å; F186-L190 HydrophobicContact CZ-CD1 4.07Å; F186-L190 HydrophobicContact CZ-CD2 3.62Å; F186-L190 HydrophobicContact CZ-CG 3.96Å; F186-L190 WeakPolarHBondContact O-CG 3.49Å; F186-L190 PolarHBondContact O-N 3.05Å; F186-L205 HydrophobicContact CE2-CD1 4.2Å; F186-L205 HydrophobicContact CZ-CD1 3.91Å; F186-Y242 HydrophobicContact CB-CD2 4.34Å; F186-Y242 AromaticContact CD2-CD2 3.66Å; F186-Y242 HydrophobicContact CD2-CD2 3.66Å; F186-Y242 AromaticContact CD2-CE2 3.66Å; F186-Y242 HydrophobicContact CD2-CE2 3.66Å; F186-Y242 HydrophobicContact CE2-CE2 4.13Å; F186-Y242 HydrophobicContact CG-CD2 4.47Å; F186-R243 WeakPolarHBondContact CB-O 3.32Å; F186-R243 PolarHBondContact N-O 3.02Å; F186-H244 AromaticContact CD1-CE1 3.85Å; F186-H244 AromaticContact CD1-ND1 3.69Å; F186-H244 AromaticContact CD2-CE1 3.71Å; F186-H244 AromaticContact CE1-CE1 3.89Å; F186-H244 AromaticContact CE2-CE1 3.77Å; F186-H244 AromaticContact CG-CE1 3.75Å; F186-H244 AromaticContact CG-ND1 3.67Å; F186-H244 AromaticContact CZ-CE1 3.85Å; F186-F385 AromaticContact CE2-CD1 3.54Å; F186-F385 HydrophobicContact CE2-CD1 3.54Å; F186-F385 AromaticContact CE2-CE1 3.57Å; F186-F385 HydrophobicContact CE2-CE1 3.57Å; F186-F385 AromaticContact CZ-CD1 3.58Å; F186-F385 HydrophobicContact CZ-CD1 3.58Å; F186-F385 HydrophobicContact CZ-CE1 4.1Å
187H94.6Very high87.3Confident14 Ų1455 Ų557%0.06532%0.323CS..Hα-helixtrans-66.7-36.9176.7-77.5-79.4000112.6D133 L136 S185 Y189 L190 R191 L286D133-H187 IonicContact OD1-CD2 2.84Å; D133-H187 IonicContact OD1-CE1 3.9Å; D133-H187 PolarHBondContact OD1-CE1 3.04Å; D133-H187 IonicContact OD1-NE2 3.83Å; D133-H187 PolarHBondContact OD1-NE2 3.24Å; L136-H187 VanDerWaalsContact CD1-CD2 3.49Å; L136-H187 WeakPolarHBondContact CD1-CD2 3.37Å; S185-H187 PolarHBondContact O-N 3.41Å; H187-Y189 VanDerWaalsContact C-N 3.31Å; H187-Y189 PolarHBondContact O-N 3.46Å; H187-L190 WeakPolarHBondContact O-CB 3.47Å; H187-L190 PolarHBondContact O-N 3.05Å; H187-R191 WeakPolarHBondContact O-CG 3.32Å; H187-R191 PolarHBondContact O-N 3.02Å; H187-L286 HydrophobicContact CB-CB 3.68Å; H187-L286 HydrophobicContact CB-CD1 4.18Å
188A93.6Very high86.3Confident1 Ų156.9 Ų56.91%0.00833%0.333CS..Hα-helixtrans-62.6-38.7170.100000111.9P168 F169 M184 S185 R191 K192P168-A188 HydrophobicContact CB-CB 3.92Å; P168-A188 HydrophobicContact CG-CB 4.39Å; F169-A188 HydrophobicContact CB-CB 4.37Å; M184-A188 HydrophobicContact CB-CB 4.31Å; S185-A188 WeakPolarHBondContact O-CB 3.22Å; S185-A188 PolarHBondContact O-N 2.98Å; S185-A188 VanDerWaalsContact O-N 3.12Å; S185-A188 VanDerWaalsContact OG-CB 3.24Å; S185-A188 WeakPolarHBondContact OG-CB 3.4Å; S185-A188 PolarHBondContact OG-N 3.29Å; S185-A188 VanDerWaalsContact OG-N 3.16Å; A188-R191 WeakPolarHBondContact O-CB 3.39Å; A188-R191 PolarHBondContact O-N 3.34Å; A188-K192 PolarHBondContact O-N 3.1Å
189Y93.3Very high85.9Confident57 Ų5758 Ų5822%0.22433%0.33CS..Hα-helixtrans-64.1-41.1173.4177.1-110.5000112.4M184 S185 F186 H187 R191 K192 L193 L205 Y242M184-Y189 HydrophobicContact SD-CD2 4.42Å; S185-Y189 PolarHBondContact O-N 2.7Å; F186-Y189 HydrophobicContact CD2-CD1 4.21Å; F186-Y189 HydrophobicContact CE2-CD1 4.25Å; F186-Y189 CarbonylContact O-C 3.52Å; F186-Y189 WeakPolarHBondContact O-CA 3.38Å; F186-Y189 WeakPolarHBondContact O-CB 3.34Å; F186-Y189 PolarHBondContact O-N 3.23Å; F186-Y189 VanDerWaalsContact O-N 3.14Å; H187-Y189 VanDerWaalsContact C-N 3.31Å; H187-Y189 PolarHBondContact O-N 3.46Å; Y189-R191 VanDerWaalsContact C-N 3.31Å; Y189-R191 PolarHBondContact O-N 2.88Å; Y189-K192 WeakPolarHBondContact O-CB 3.45Å; Y189-K192 PolarHBondContact O-N 3.5Å; Y189-K192 VanDerWaalsContact O-N 3.15Å; Y189-L193 HydrophobicContact CD1-CD1 4.11Å; Y189-L193 HydrophobicContact CE1-CD1 3.51Å; Y189-L193 HydrophobicContact CE1-CG 4.26Å; Y189-L193 HydrophobicContact CE2-CD1 4.33Å; Y189-L193 HydrophobicContact CE2-CD2 4.4Å; Y189-L193 HydrophobicContact CE2-CG 4.25Å; Y189-L193 PolarHBondContact O-N 3.42Å; Y189-L205 HydrophobicContact CE1-CD2 4.09Å; Y189-Y242 AromaticContact CD1-CD1 3.65Å; Y189-Y242 HydrophobicContact CD1-CD1 3.65Å; Y189-Y242 HydrophobicContact CD1-CD2 4.32Å; Y189-Y242 AromaticContact CD1-CE1 3.78Å; Y189-Y242 HydrophobicContact CD1-CE1 3.78Å; Y189-Y242 HydrophobicContact CD1-CE2 4.42Å; Y189-Y242 AromaticContact CD1-CG 3.95Å; Y189-Y242 HydrophobicContact CD1-CG 3.95Å; Y189-Y242 AromaticContact CD2-CD1 3.83Å; Y189-Y242 HydrophobicContact CD2-CD1 3.83Å; Y189-Y242 HydrophobicContact CD2-CE1 4.44Å; Y189-Y242 HydrophobicContact CD2-CG 4.43Å; Y189-Y242 AromaticContact CE1-CD1 3.85Å; Y189-Y242 HydrophobicContact CE1-CD1 3.85Å; Y189-Y242 AromaticContact CE1-CE1 3.55Å; Y189-Y242 HydrophobicContact CE1-CE1 3.55Å; Y189-Y242 HydrophobicContact CE2-CD1 4.04Å; Y189-Y242 HydrophobicContact CE2-CE1 4.25Å; Y189-Y242 AromaticContact CG-CD1 3.63Å; Y189-Y242 HydrophobicContact CG-CD1 3.63Å; Y189-Y242 HydrophobicContact CG-CE1 4.21Å; Y189-Y242 AromaticContact CG-CG 3.87Å; Y189-Y242 HydrophobicContact CG-CG 3.87Å; Y189-Y242 AromaticContact CZ-CE1 3.81Å
190L91.5Very high85Confident22 Ų2254.5 Ų54.512%0.11531%0.311CS..Hα-helixtrans-60.6-40.9172.6-66-174.7000111.7F186 H187 K192 L193 T194 L205 L379F186-L190 HydrophobicContact CD1-CD1 4.2Å; F186-L190 HydrophobicContact CD1-CG 4.38Å; F186-L190 HydrophobicContact CE1-CD1 3.75Å; F186-L190 HydrophobicContact CE1-CD2 4.18Å; F186-L190 HydrophobicContact CE1-CG 4.05Å; F186-L190 HydrophobicContact CE2-CD2 3.84Å; F186-L190 HydrophobicContact CE2-CG 4.21Å; F186-L190 HydrophobicContact CZ-CD1 4.07Å; F186-L190 HydrophobicContact CZ-CD2 3.62Å; F186-L190 HydrophobicContact CZ-CG 3.96Å; F186-L190 WeakPolarHBondContact O-CG 3.49Å; F186-L190 PolarHBondContact O-N 3.05Å; H187-L190 WeakPolarHBondContact O-CB 3.47Å; H187-L190 PolarHBondContact O-N 3.05Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 2.99Å; L190-L193 PolarHBondContact O-N 3.41Å; L190-T194 WeakPolarHBondContact O-CB 3.45Å; L190-T194 WeakPolarHBondContact O-CG2 3.21Å; L190-T194 PolarHBondContact O-N 3.11Å; L190-T194 PolarHBondContact O-OG1 2.98Å; L190-L205 HydrophobicContact CD2-CD1 3.62Å; L190-L379 HydrophobicContact CB-CD1 4.38Å; L190-L379 HydrophobicContact CD1-CD1 4.13Å; L190-L379 HydrophobicContact CD2-CD1 3.7Å; L190-L379 HydrophobicContact CG-CD1 4.29Å
191R90.9Very high84.1Confident79 Ų7958.4 Ų58.430%0.29832%0.32SS..Hα-helixtrans-63.1-38.6174-67.5-62.2-173.4-157.4-3.5112A137 Q139 P168 F169 H187 A188 Y189 L193 T194 G195 L286A137-R191 PolarHBondContact O-NH2 2.81Å; Q139-R191 PolarHBondContact O-NH2 3Å; P168-R191 HydrophobicContact CG-CB 4.26Å; P168-R191 HydrophobicContact CG-CG 4.36Å; F169-R191 HydrophobicContact CD1-CB 4.39Å; F169-R191 HydrophobicContact CE1-CB 4.43Å; H187-R191 WeakPolarHBondContact O-CG 3.32Å; H187-R191 PolarHBondContact O-N 3.02Å; A188-R191 WeakPolarHBondContact O-CB 3.39Å; A188-R191 PolarHBondContact O-N 3.34Å; Y189-R191 VanDerWaalsContact C-N 3.31Å; Y189-R191 PolarHBondContact O-N 2.88Å; R191-L193 PolarHBondContact O-N 3.25Å; R191-T194 PolarHBondContact O-N 3.36Å; R191-G195 WeakPolarHBondContact O-CA 3.35Å; R191-G195 PolarHBondContact O-N 3.19Å; R191-L286 HydrophobicContact CG-CD1 3.86Å
192K90.4Very high83.1Confident80 Ų8064 Ų6435%0.34834%0.343SS..Hα-helixtrans-61.7-41.7174.9-170172.2-176.6163.90112.1F169 E171 M184 A188 Y189 L190F169-K192 HydrophobicContact CB-CB 4.36Å; F169-K192 HydrophobicContact CB-CD 4.32Å; F169-K192 HydrophobicContact CD1-CB 3.7Å; F169-K192 HydrophobicContact CD1-CG 4.34Å; F169-K192 HydrophobicContact CD2-CB 4.21Å; F169-K192 HydrophobicContact CD2-CD 3.97Å; F169-K192 HydrophobicContact CD2-CG 3.97Å; F169-K192 HydrophobicContact CE1-CB 4Å; F169-K192 HydrophobicContact CE1-CG 4.49Å; F169-K192 HydrophobicContact CE2-CB 4.48Å; F169-K192 HydrophobicContact CE2-CG 4.13Å; F169-K192 HydrophobicContact CG-CB 3.82Å; F169-K192 HydrophobicContact CG-CD 4.12Å; F169-K192 HydrophobicContact CG-CG 4.08Å; F169-K192 HydrophobicContact CZ-CB 4.38Å; F169-K192 HydrophobicContact CZ-CG 4.39Å; E171-K192 IonicContact OE1-NZ 3.6Å; M184-K192 HydrophobicContact SD-CD 4.39Å; A188-K192 PolarHBondContact O-N 3.1Å; Y189-K192 WeakPolarHBondContact O-CB 3.45Å; Y189-K192 PolarHBondContact O-N 3.5Å; Y189-K192 VanDerWaalsContact O-N 3.15Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 2.99Å
193L88Confident82.4Confident71 Ų7158 Ų5837%0.37232%0.321SS..Hα-helixtrans-74.4-36.3178.6-68.4177.4000113.5Y189 L190 R191 A203 L205Y189-L193 HydrophobicContact CD1-CD1 4.11Å; Y189-L193 HydrophobicContact CE1-CD1 3.51Å; Y189-L193 HydrophobicContact CE1-CG 4.26Å; Y189-L193 HydrophobicContact CE2-CD1 4.33Å; Y189-L193 HydrophobicContact CE2-CD2 4.4Å; Y189-L193 HydrophobicContact CE2-CG 4.25Å; Y189-L193 PolarHBondContact O-N 3.42Å; L190-L193 PolarHBondContact O-N 3.41Å; R191-L193 PolarHBondContact O-N 3.25Å; L193-A203 HydrophobicContact CB-CB 4.37Å; L193-L205 HydrophobicContact CD1-CD2 3.53Å; L193-L205 HydrophobicContact CD1-CG 4.45Å
194T86Confident81.7Confident30 Ų3058.9 Ų58.918%0.18433%0.334CS..Hα-helixtrans-88.6-10.7-178.556.70000113.3L190 R191 K199 G200 A203 L379L190-T194 WeakPolarHBondContact O-CB 3.45Å; L190-T194 WeakPolarHBondContact O-CG2 3.21Å; L190-T194 PolarHBondContact O-N 3.11Å; L190-T194 PolarHBondContact O-OG1 2.98Å; R191-T194 PolarHBondContact O-N 3.36Å; T194-K199 CarbonylContact O-C 3.57Å; T194-K199 VanDerWaalsContact O-C 3.3Å; T194-K199 WeakPolarHBondContact O-CA 3.33Å; T194-G200 PolarHBondContact O-N 3.12Å; T194-A203 HydrophobicContact CG2-CB 3.91Å; T194-L379 HydrophobicContact CG2-CD1 4.17Å; T194-L379 HydrophobicContact CG2-CD2 4.42Å
195G76.8Confident81.4Confident47 Ų4758.8 Ų58.849%0.48533%0.333SS..  trans-64.3160.3176.300000113.5R191R191-G195 WeakPolarHBondContact O-CA 3.35Å; R191-G195 PolarHBondContact O-N 3.19Å
196G75.9Confident81Confident64 Ų6464.2 Ų64.266%0.6636%0.358SS*.SBendtrans96.9-172.9177.900000114.9D198 K199G196-D198 PolarHBondContact O-N 2.92Å; G196-K199 PolarHBondContact O-N 3.43Å
197A62.2Low80.7Confident105 Ų10566.1 Ų66.187%0.86837%0.369SS*.THydrogen-bonded Turntrans-63.4-29-171.200000113.6
198D64.9Low80.5Confident77 Ų7768.3 Ų68.341%0.41238%0.38SS..THydrogen-bonded Turntrans-85.5-4.3-175.7-70.9-35.5000114.1G196 G200 K201 F202G196-D198 PolarHBondContact O-N 2.92Å; D198-G200 PolarHBondContact O-N 3.14Å; D198-K201 VanDerWaalsContact O-CB 3.26Å; D198-K201 WeakPolarHBondContact O-CB 3.11Å; D198-K201 PolarHBondContact O-N 3.22Å; D198-F202 HydrophobicContact CB-CD2 4.26Å
199K69.8Low80.2Confident186 Ų18671.3 Ų71.381%0.80940%0.401SS*.THydrogen-bonded Turntrans44.341178.8-62.6-174178-1770113.9T194 G196 K201T194-K199 CarbonylContact O-C 3.57Å; T194-K199 VanDerWaalsContact O-C 3.3Å; T194-K199 WeakPolarHBondContact O-CA 3.33Å; G196-K199 PolarHBondContact O-N 3.43Å; K199-K201 VanDerWaalsContact C-N 3.32Å; K199-K201 PolarHBondContact O-N 3.42Å
200G66.6Low80Confident19 Ų1968.6 Ų68.620%0.19639%0.391CS..THydrogen-bonded Turntrans74.312178.400000116T194 D198 F202 A203T194-G200 PolarHBondContact O-N 3.12Å; D198-G200 PolarHBondContact O-N 3.14Å; G200-F202 PolarHBondContact O-N 3.03Å; G200-A203 PolarHBondContact O-N 3.18Å
201K66.9Low79.9Confident162 Ų16273.2 Ų73.270%0.70441%0.41SS*.THydrogen-bonded Turntrans-56.4-25177.7-171.9175.6-179.4-178.90114D198 K199D198-K201 VanDerWaalsContact O-CB 3.26Å; D198-K201 WeakPolarHBondContact O-CB 3.11Å; D198-K201 PolarHBondContact O-N 3.22Å; K199-K201 VanDerWaalsContact C-N 3.32Å; K199-K201 PolarHBondContact O-N 3.42Å
202F68.2Low79.8Confident133 Ų13371.8 Ų71.858%0.58341%0.408SS*.THydrogen-bonded Turntrans-116.55.4177.5-55.1-73.5000113.1D198 G200 A204D198-F202 HydrophobicContact CB-CD2 4.26Å; G200-F202 PolarHBondContact O-N 3.03Å; F202-A204 PolarHBondContact O-N 3.12Å
203A72.9Confident79.6Confident25 Ų2574.8 Ų74.821%0.20742%0.421CS..  trans-76.396.717700000108.3L193 T194 G200L193-A203 HydrophobicContact CB-CB 4.37Å; T194-A203 HydrophobicContact CG2-CB 3.91Å; G200-A203 PolarHBondContact O-N 3.18Å
204A78.5Confident79.3Confident46 Ų4677.2 Ų77.238%0.3844%0.444SS..  trans-115.6125.1171.200000108.2F202F202-A204 PolarHBondContact O-N 3.12Å
205L87.4Confident79.1Confident9 Ų979.4 Ų79.45%0.04747%0.473CS..BIsolated β-bridgetrans-81.2127.8168.6-69.6172.9000108.3F186 Y189 L190 L193 L379 S380 R381 F385F186-L205 HydrophobicContact CE2-CD1 4.2Å; F186-L205 HydrophobicContact CZ-CD1 3.91Å; Y189-L205 HydrophobicContact CE1-CD2 4.09Å; L190-L205 HydrophobicContact CD2-CD1 3.62Å; L193-L205 HydrophobicContact CD1-CD2 3.53Å; L193-L205 HydrophobicContact CD1-CG 4.45Å; L205-L379 HydrophobicContact CD1-CB 4.25Å; L205-L379 HydrophobicContact CG-CB 4.48Å; L205-L379 PolarHBondContact N-O 3.09Å; L205-S380 WeakPolarHBondContact O-CA 3.32Å; L205-R381 PolarHBondContact O-N 2.96Å; L205-F385 HydrophobicContact CB-CD2 3.71Å; L205-F385 HydrophobicContact CB-CE2 3.89Å; L205-F385 HydrophobicContact CB-CG 4.1Å; L205-F385 HydrophobicContact CB-CZ 4.43Å; L205-F385 HydrophobicContact CD1-CB 4.3Å; L205-F385 HydrophobicContact CD1-CD1 3.73Å; L205-F385 HydrophobicContact CD1-CD2 4.24Å; L205-F385 HydrophobicContact CD1-CE1 4.01Å; L205-F385 HydrophobicContact CD1-CG 3.82Å; L205-F385 HydrophobicContact CD1-CZ 4.39Å; L205-F385 HydrophobicContact CD2-CE1 4.16Å; L205-F385 HydrophobicContact CD2-CE2 4.15Å; L205-F385 HydrophobicContact CD2-CZ 3.88Å; L205-F385 HydrophobicContact CG-CD2 4.42Å; L205-F385 HydrophobicContact CG-CE2 4.42Å; L205-F385 HydrophobicContact CG-CG 4.49Å; L205-F385 HydrophobicContact CG-CZ 4.47Å
206E86.7Confident79.5Confident115 Ų11579.3 Ų79.354%0.53746%0.464SS..  trans-113.1127.7177.9-64.4-172.6172.900108.8R381E206-R381 IonicContact OE1-CZ 2.74Å; E206-R381 IonicContact OE1-NE 3.68Å; E206-R381 IonicContact OE1-NH1 3.82Å; E206-R381 PolarHBondContact OE1-NH1 3.27Å; E206-R381 IonicContact OE1-NH2 3.31Å; E206-R381 PolarHBondContact OE1-NH2 3.45Å
207N88.9Confident80Confident47 Ų4785.6 Ų85.625%0.25148%0.476SS..  trans-74.2138.9171.6-69.4-53.1000109.6D382 Y384 F385N207-D382 PolarHBondContact ND2-OD2 3.12Å; N207-Y384 PolarHBondContact ND2-O 3.16Å; N207-F385 WeakPolarHBondContact OD1-CD2 3.33Å
208I90.5Very high81Confident59 Ų5984.1 Ų84.130%0.30347%0.471SS..  trans-68.7137.1173.1-60.9168.3000108I235 Q412 A415 R418I208-I235 HydrophobicContact CG2-CD1 3.82Å; I208-I235 HydrophobicContact CG2-CG1 4.24Å; I208-Q412 HydrophobicContact CD1-CB 4.28Å; I208-Q412 HydrophobicContact CD1-CG 3.45Å; I208-Q412 VanDerWaalsContact CD1-CG 3.45Å; I208-A415 HydrophobicContact CB-CB 3.76Å; I208-A415 HydrophobicContact CG2-CB 3.99Å; I208-A415 WeakPolarHBondContact O-CB 3.23Å; I208-R418 PolarHBondContact O-NH2 3.04Å
209S88.8Confident82.1Confident64 Ų6482.4 Ų82.445%0.44846%0.461SS..  trans-132.2123175.5173.60000109.7K211S209-K211 PolarHBondContact OG-N 2.71Å
210C88.4Confident83Confident1 Ų176.7 Ų76.71%0.00744%0.443CS..  trans-89.1-8.1175.4-49.60000112.1P232 I235 D419 C421 P444C210-P232 WeakPolarHBondContact O-CG 3.37Å; C210-I235 HydrophobicContact CB-CD1 4.47Å; C210-I235 WeakPolarHBondContact SG-CD1 3.05Å; C210-D419 HydrophobicContact CB-CB 3.7Å; C210-D419 PolarHBondContact N-OD2 2.85Å; C210-C421 WeakPolarHBondContact CB-SG 3.38Å; C210-P444 HydrophobicContact CB-CG 4.02Å
211K89.3Confident83.9Confident118 Ų11880.7 Ų80.751%0.51347%0.465SS..SBendtrans-80.5147179.4-66.2-179.8-179.11740111.9S209 K213 D419S209-K211 PolarHBondContact OG-N 2.71Å; K211-K213 PolarHBondContact O-N 3.22Å; K211-D419 VanDerWaalsContact CE-OD1 3.24Å; K211-D419 WeakPolarHBondContact CE-OD1 3.32Å; K211-D419 HydrophobicContact CG-CB 4.21Å; K211-D419 IonicContact NZ-OD1 2.84Å
212I88.6Confident84.8Confident49 Ų4976.5 Ų76.525%0.25145%0.445SS..PPolyproline II helixtrans-60.6132.1170.7-58.9173.5000108.7S214 W222 I226 C230 Y442I212-S214 PolarHBondContact O-N 2.95Å; I212-W222 HydrophobicContact CD1-CB 3.59Å; I212-W222 HydrophobicContact CD1-CD2 4.07Å; I212-W222 HydrophobicContact CD1-CE3 4.23Å; I212-W222 HydrophobicContact CD1-CG 3.82Å; I212-I226 HydrophobicContact CD1-CD1 3.93Å; I212-I226 HydrophobicContact CG1-CD1 4.14Å; I212-C230 HydrophobicContact CG2-CB 3.83Å; I212-Y442 HydrophobicContact CD1-CG 4.06Å; I212-Y442 HydrophobicContact CG1-CD1 4.05Å; I212-Y442 HydrophobicContact CG1-CG 4.11Å
213K86.3Confident85.8Confident143 Ų14373.6 Ų73.662%0.62244%0.439SS*.PPolyproline II helixtrans-63.6123.6176.7-63.8177.2179.4170.20109.7K211 C230K211-K213 PolarHBondContact O-N 3.22Å; K213-C230 HydrophobicContact CB-CB 4.48Å; K213-C230 PolarHBondContact N-O 2.91Å
214S81.4Confident86.5Confident122 Ų12280 Ų8085%0.85347%0.465SS*.SBendtrans-68.1150.5176.654.30000111.9I212I212-S214 PolarHBondContact O-N 2.95Å
215G82.1Confident86.8Confident77 Ų7778.5 Ų78.579%0.79445%0.454SS*.  trans92.224.4172.400000115.3
216C85.3Confident87Confident44 Ų4480.9 Ų80.930%0.29747%0.466SS..  trans-84.4114.6169.6-161.50000110.3H219 C227 C230C216-H219 WeakPolarHBondContact CB-NE2 3.23Å; C216-H219 PolarHBondContact SG-CD2 3.21Å; C216-H219 PolarHBondContact SG-NE2 2.97Å; C216-C227 PolarHBondContact SG-SG 2.85Å; C216-C230 HydrophobicContact CB-CB 3.95Å
217E85.9Confident87.1Confident197 Ų19777 Ų7792%0.92145%0.452SS*.  trans-87.6-5.8-179.6-60.6-178.8166.200113.2
218G84.8Confident87.1Confident74 Ų7480.8 Ų80.876%0.76348%0.477SS*.SBendtrans-88.9-2.6-171.300000115.8
219H88Confident87Confident41 Ų4186.4 Ų86.419%0.1950%0.499CS..SBendtrans-155.3157.91786083.5000110.6C216 G225 C227 C230C216-H219 WeakPolarHBondContact CB-NE2 3.23Å; C216-H219 PolarHBondContact SG-CD2 3.21Å; C216-H219 PolarHBondContact SG-NE2 2.97Å; H219-G225 PolarHBondContact CE1-O 2.84Å; H219-G225 VanDerWaalsContact ND1-C 3.35Å; H219-G225 PolarHBondContact ND1-O 2.85Å; H219-C227 VanDerWaalsContact CD2-SG 3.57Å; H219-C227 PolarHBondContact NE2-SG 2.89Å; H219-C230 VanDerWaalsContact CE1-SG 3.54Å; H219-C230 PolarHBondContact NE2-SG 3Å
220P87Confident87Confident66 Ų6683.5 Ų83.543%0.42948%0.478SS..PPolyproline II helixtrans-57.3155.4169.1-24.135.5000112E224 G225P220-E224 HydrophobicContact CB-CB 3.78Å; P220-E224 HydrophobicContact CG-CB 4.49Å; P220-G225 VanDerWaalsContact O-O 3.14Å
221P86.7Confident87.1Confident102 Ų10287.1 Ų87.166%0.66250%0.495SS*.SBendtrans-60.8157.2176.127.5-34.3000111.6E224P221-E224 PolarHBondContact O-N 3.41Å
222W86.3Confident87.1Confident74 Ų7481.9 Ų81.928%0.2847%0.473SS..THydrogen-bonded Turntrans-55.5136.4172.2-179.4-94.9000110I212 I226 S438 P439 Y442I212-W222 HydrophobicContact CD1-CB 3.59Å; I212-W222 HydrophobicContact CD1-CD2 4.07Å; I212-W222 HydrophobicContact CD1-CE3 4.23Å; I212-W222 HydrophobicContact CD1-CG 3.82Å; W222-I226 HydrophobicContact CE3-CB 4.17Å; W222-I226 HydrophobicContact CE3-CD1 4.42Å; W222-I226 HydrophobicContact CZ3-CB 4.35Å; W222-I226 HydrophobicContact CZ3-CG2 4.18Å; W222-S438 VanDerWaalsContact CZ2-O 3.31Å; W222-S438 WeakPolarHBondContact CZ2-O 2.92Å; W222-S438 PolarHBondContact NE1-O 3.33Å; W222-P439 PolarHBondContact NE1-O 3.43Å; W222-Y442 HydrophobicContact CE3-CD2 4.19Å; W222-Y442 AromaticContact CH2-CD2 3.7Å; W222-Y442 HydrophobicContact CH2-CD2 3.7Å; W222-Y442 HydrophobicContact CH2-CE2 4.44Å; W222-Y442 HydrophobicContact CZ2-CD2 4.03Å; W222-Y442 AromaticContact CZ3-CD2 3.78Å; W222-Y442 HydrophobicContact CZ3-CD2 3.78Å; W222-Y442 HydrophobicContact CZ3-CE2 4.45Å
223P87.4Confident87.2Confident72 Ų7284.5 Ų84.547%0.46850%0.496SS..THydrogen-bonded Turncis-92-2.111.935-35.7000116.5G225 P439P223-G225 VanDerWaalsContact C-N 3.31Å; P223-G225 PolarHBondContact O-N 3.47Å; P223-P439 HydrophobicContact CB-CB 4.17Å; P223-P439 WeakPolarHBondContact CB-O 3.34Å; P223-P439 HydrophobicContact CG-CB 4.18Å; P223-P439 WeakPolarHBondContact CG-O 3.46Å
224E87.8Confident87.5Confident160 Ų16080.5 Ų80.575%0.74849%0.489SS*.THydrogen-bonded Turntrans-74.3-20.2-171.1-66.8-178.7178.600113.5P220 P221P220-E224 HydrophobicContact CB-CB 3.78Å; P220-E224 HydrophobicContact CG-CB 4.49Å; P221-E224 PolarHBondContact O-N 3.41Å
225G86.4Confident88Confident15 Ų1575.4 Ų75.416%0.15545%0.452CS..  trans-163.4147.617500000114.2H219 P220 P223H219-G225 PolarHBondContact CE1-O 2.84Å; H219-G225 VanDerWaalsContact ND1-C 3.35Å; H219-G225 PolarHBondContact ND1-O 2.85Å; P220-G225 VanDerWaalsContact O-O 3.14Å; P223-G225 VanDerWaalsContact C-N 3.31Å; P223-G225 PolarHBondContact O-N 3.47Å
226I90.4Very high88.5Confident58 Ų5874 Ų7430%0.29743%0.429SS..  trans-143146170.5-165.2172000109I212 W222 Q231 Y442I212-I226 HydrophobicContact CD1-CD1 3.93Å; I212-I226 HydrophobicContact CG1-CD1 4.14Å; W222-I226 HydrophobicContact CE3-CB 4.17Å; W222-I226 HydrophobicContact CE3-CD1 4.42Å; W222-I226 HydrophobicContact CZ3-CB 4.35Å; W222-I226 HydrophobicContact CZ3-CG2 4.18Å; I226-Q231 HydrophobicContact CD1-CB 3.88Å; I226-Q231 HydrophobicContact CD1-CG 3.92Å; I226-Q231 HydrophobicContact CG1-CB 4.1Å; I226-Y442 HydrophobicContact CD1-CD1 4.39Å; I226-Y442 HydrophobicContact CD1-CD2 3.93Å; I226-Y442 HydrophobicContact CD1-CE1 4.34Å; I226-Y442 HydrophobicContact CD1-CE2 3.88Å; I226-Y442 HydrophobicContact CD1-CG 4.2Å
227C89.9Confident88.8Confident35 Ų3572 Ų7224%0.23642%0.415CS..  trans-123.5161.317374.70000111.1C216 H219 K229 C230 Q231C216-C227 PolarHBondContact SG-SG 2.85Å; H219-C227 VanDerWaalsContact CD2-SG 3.57Å; H219-C227 PolarHBondContact NE2-SG 2.89Å; C227-K229 PolarHBondContact O-N 3.43Å; C227-C230 PolarHBondContact N-SG 2.97Å; C227-C230 VanDerWaalsContact N-SG 3.35Å; C227-C230 PolarHBondContact O-N 3.04Å; C227-C230 VanDerWaalsContact O-N 3.14Å; C227-C230 PolarHBondContact O-SG 3.46Å; C227-Q231 VanDerWaalsContact O-CB 3.27Å; C227-Q231 WeakPolarHBondContact O-CB 3.46Å; C227-Q231 PolarHBondContact O-N 3.17Å
228T89.1Confident88.9Confident126 Ų12666.4 Ų66.477%0.77339%0.391SS*.THydrogen-bonded Turntrans-60.6-18.6179.952.30000114.4
229K87.6Confident89.1Confident177 Ų17770.5 Ų70.577%0.7738%0.384SS*.THydrogen-bonded Turntrans-80.7-35.2177.8-63.7-180-177.81740113.1C227C227-K229 PolarHBondContact O-N 3.43Å
230C88.7Confident89.3Confident2 Ų269.5 Ų69.51%0.01438%0.379CS..THydrogen-bonded Turntrans-94.8-23.8-179.470.10000112.4I212 K213 C216 H219 C227I212-C230 HydrophobicContact CG2-CB 3.83Å; K213-C230 HydrophobicContact CB-CB 4.48Å; K213-C230 PolarHBondContact N-O 2.91Å; C216-C230 HydrophobicContact CB-CB 3.95Å; H219-C230 VanDerWaalsContact CE1-SG 3.54Å; H219-C230 PolarHBondContact NE2-SG 3Å; C227-C230 PolarHBondContact N-SG 2.97Å; C227-C230 VanDerWaalsContact N-SG 3.35Å; C227-C230 PolarHBondContact O-N 3.04Å; C227-C230 VanDerWaalsContact O-N 3.14Å; C227-C230 PolarHBondContact O-SG 3.46Å
231Q89.7Confident89.5Confident77 Ų7772.6 Ų72.636%0.3639%0.386SS..SBendtrans-59.3125.7176.7-173.5-179.2-100110.3I226 C227 Y442I226-Q231 HydrophobicContact CD1-CB 3.88Å; I226-Q231 HydrophobicContact CD1-CG 3.92Å; I226-Q231 HydrophobicContact CG1-CB 4.1Å; C227-Q231 VanDerWaalsContact O-CB 3.27Å; C227-Q231 WeakPolarHBondContact O-CB 3.46Å; C227-Q231 PolarHBondContact O-N 3.17Å; Q231-Y442 HydrophobicContact CG-CE1 4.26Å; Q231-Y442 PolarHBondContact NE2-OH 2.91Å
232P90.6Very high89.9Confident8 Ų868.5 Ų68.55%0.05236%0.357CS..PPolyproline II helixtrans-68.6142.4172.327.9-28.9000109.2C210 Y442 P444C210-P232 WeakPolarHBondContact O-CG 3.37Å; P232-Y442 HydrophobicContact CG-CD1 3.84Å; P232-Y442 HydrophobicContact CG-CE1 3.63Å; P232-P444 HydrophobicContact CG-CB 4.3Å; P232-P444 HydrophobicContact CG-CG 4.33Å
233S90.7Very high90.4Very high104 Ų10465.6 Ų65.673%0.72735%0.346SS*.PPolyproline II helixtrans-67.3149.8179.6-56.20000110.9I235S233-I235 PolarHBondContact O-N 3.14Å
234A92Very high90.8Very high59 Ų5962.4 Ų62.449%0.48833%0.325SS..PPolyproline II helixtrans-55.2138.9170.500000110.4D445 F447A234-D445 CarbonylContact C-O 3.59Å; A234-D445 WeakPolarHBondContact CA-O 3.45Å; A234-D445 HydrophobicContact CB-CB 4.5Å; A234-F447 HydrophobicContact CB-CD2 4.3Å; A234-F447 HydrophobicContact CB-CE2 3.98Å
235I92.4Very high91.2Very high15 Ų1554.8 Ų54.88%0.07729%0.29CS..EExtended strand (participates in β ladder)trans-98127.6-175.3-61.2171.5000107.7I208 C210 S233 L237 L416 P444 D445 V446 F447I208-I235 HydrophobicContact CG2-CD1 3.82Å; I208-I235 HydrophobicContact CG2-CG1 4.24Å; C210-I235 HydrophobicContact CB-CD1 4.47Å; C210-I235 WeakPolarHBondContact SG-CD1 3.05Å; S233-I235 PolarHBondContact O-N 3.14Å; I235-L237 HydrophobicContact CG2-CD2 4.03Å; I235-L416 HydrophobicContact CD1-CD2 4.27Å; I235-P444 HydrophobicContact CD1-CG 4.04Å; I235-P444 HydrophobicContact CG1-CG 4.42Å; I235-D445 PolarHBondContact N-O 3.37Å; I235-V446 HydrophobicContact CB-CG2 4.44Å; I235-V446 CarbonylContact O-C 3.59Å; I235-V446 WeakPolarHBondContact O-CA 3.39Å; I235-F447 PolarHBondContact O-N 3.42Å
236T92.3Very high91.7Very high49 Ų4954.1 Ų54.130%0.30128%0.282SS..EExtended strand (participates in β ladder)trans-109.9110.9169.5-55.80000109N238 Q412 F447 K449T236-N238 PolarHBondContact O-N 2.89Å; T236-N238 PolarHBondContact O-ND2 2.84Å; T236-Q412 PolarHBondContact O-OE1 3.49Å; T236-F447 CarbonylContact C-O 3.52Å; T236-F447 WeakPolarHBondContact CA-O 3.11Å; T236-K449 HydrophobicContact CG2-CD 4.2Å; T236-K449 HydrophobicContact CG2-CG 4.03Å
237L91.2Very high92Very high0 Ų051.5 Ų51.50%027%0.269CS..EExtended strand (participates in β ladder)trans-68.4116.7177.1-59.8177.1000109.8I235 Q412 L416 V446 F447 L465 L470I235-L237 HydrophobicContact CG2-CD2 4.03Å; L237-Q412 VanDerWaalsContact CA-OE1 3.28Å; L237-Q412 HydrophobicContact CD2-CB 3.71Å; L237-Q412 HydrophobicContact CD2-CG 4.21Å; L237-L416 HydrophobicContact CD1-CD1 4.44Å; L237-L416 HydrophobicContact CD2-CD1 4.14Å; L237-V446 HydrophobicContact CD1-CG1 3.66Å; L237-V446 HydrophobicContact CD2-CG1 4.29Å; L237-V446 HydrophobicContact CG-CG1 3.77Å; L237-F447 WeakPolarHBondContact CB-O 3.32Å; L237-F447 WeakPolarHBondContact CG-O 3.3Å; L237-F447 PolarHBondContact N-O 3.1Å; L237-L465 HydrophobicContact CD1-CD1 3.47Å; L237-L465 VanDerWaalsContact CD1-CD1 3.47Å; L237-L465 HydrophobicContact CD1-CD2 3.54Å; L237-L465 HydrophobicContact CD1-CG 4.16Å; L237-L470 HydrophobicContact CD1-CD2 4.12Å; L237-L470 HydrophobicContact CD2-CD2 4.33Å
238N88.1Confident92.3Very high81 Ų8149.8 Ų49.843%0.43326%0.258SS..  trans-115.2149.9172.2-60.1-72.5000109.5T236 Q240 Q412T236-N238 PolarHBondContact O-N 2.89Å; T236-N238 PolarHBondContact O-ND2 2.84Å; N238-Q240 PolarHBondContact O-N 3.05Å; N238-Q412 VanDerWaalsContact N-OE1 3.08Å; N238-Q412 PolarHBondContact O-NE2 2.91Å
239R88.3Confident92.7Very high160 Ų16044 Ų4460%0.60422%0.222SC*.  trans-60123.8172.2-67.3-175.1176.6-162.6-4.4109.8K241 Y469R239-K241 PolarHBondContact O-N 3.09Å; R239-Y469 HydrophobicContact CG-CD1 4.09Å; R239-Y469 HydrophobicContact CG-CE1 4.28Å
240Q92.3Very high93.2Very high20 Ų2035.6 Ų35.69%0.09319%0.185CC..  trans-70128.5-178.8-169.3171.6-60.700109.3H183 N238 Y242 I472H183-Q240 PolarHBondContact CD2-O 2.8Å; H183-Q240 PolarHBondContact NE2-O 3.07Å; N238-Q240 PolarHBondContact O-N 3.05Å; Q240-Y242 VanDerWaalsContact C-N 3.35Å; Q240-Y242 HydrophobicContact CG-CD1 3.95Å; Q240-Y242 HydrophobicContact CG-CE1 3.72Å; Q240-Y242 HydrophobicContact CG-CE2 4.35Å; Q240-Y242 HydrophobicContact CG-CG 4.35Å; Q240-Y242 WeakPolarHBondContact CG-O 3.45Å; Q240-Y242 VanDerWaalsContact NE2-CE2 3.28Å; Q240-Y242 PolarHBondContact NE2-O 2.89Å; Q240-I472 HydrophobicContact CB-CD1 3.85Å; Q240-I472 HydrophobicContact CB-CG1 4.42Å; Q240-I472 HydrophobicContact CG-CD1 4.03Å; Q240-I472 VanDerWaalsContact NE2-CD1 3.27Å
241K92.2Very high93.5Very high131 Ų13135.7 Ų35.757%0.5719%0.186SC*.SBendtrans-86.5-4.4-174.3-62.9-170.8175-165.60114.6M184 R239M184-K241 PolarHBondContact N-O 3.35Å; M184-K241 VanDerWaalsContact N-O 3.15Å; R239-K241 PolarHBondContact O-N 3.09Å
242Y94.8Very high93.7Very high16 Ų1632.4 Ų32.46%0.06317%0.17CC..EExtended strand (participates in β ladder)trans-136.8159.9-175.466.8-89.7000110.8M184 F186 Y189 Q240 H244 F385 N411M184-Y242 WeakPolarHBondContact O-CA 3.35Å; M184-Y242 WeakPolarHBondContact O-CB 3.25Å; F186-Y242 HydrophobicContact CB-CD2 4.34Å; F186-Y242 AromaticContact CD2-CD2 3.66Å; F186-Y242 HydrophobicContact CD2-CD2 3.66Å; F186-Y242 AromaticContact CD2-CE2 3.66Å; F186-Y242 HydrophobicContact CD2-CE2 3.66Å; F186-Y242 HydrophobicContact CE2-CE2 4.13Å; F186-Y242 HydrophobicContact CG-CD2 4.47Å; Y189-Y242 AromaticContact CD1-CD1 3.65Å; Y189-Y242 HydrophobicContact CD1-CD1 3.65Å; Y189-Y242 HydrophobicContact CD1-CD2 4.32Å; Y189-Y242 AromaticContact CD1-CE1 3.78Å; Y189-Y242 HydrophobicContact CD1-CE1 3.78Å; Y189-Y242 HydrophobicContact CD1-CE2 4.42Å; Y189-Y242 AromaticContact CD1-CG 3.95Å; Y189-Y242 HydrophobicContact CD1-CG 3.95Å; Y189-Y242 AromaticContact CD2-CD1 3.83Å; Y189-Y242 HydrophobicContact CD2-CD1 3.83Å; Y189-Y242 HydrophobicContact CD2-CE1 4.44Å; Y189-Y242 HydrophobicContact CD2-CG 4.43Å; Y189-Y242 AromaticContact CE1-CD1 3.85Å; Y189-Y242 HydrophobicContact CE1-CD1 3.85Å; Y189-Y242 AromaticContact CE1-CE1 3.55Å; Y189-Y242 HydrophobicContact CE1-CE1 3.55Å; Y189-Y242 HydrophobicContact CE2-CD1 4.04Å; Y189-Y242 HydrophobicContact CE2-CE1 4.25Å; Y189-Y242 AromaticContact CG-CD1 3.63Å; Y189-Y242 HydrophobicContact CG-CD1 3.63Å; Y189-Y242 HydrophobicContact CG-CE1 4.21Å; Y189-Y242 AromaticContact CG-CG 3.87Å; Y189-Y242 HydrophobicContact CG-CG 3.87Å; Y189-Y242 AromaticContact CZ-CE1 3.81Å; Q240-Y242 VanDerWaalsContact C-N 3.35Å; Q240-Y242 HydrophobicContact CG-CD1 3.95Å; Q240-Y242 HydrophobicContact CG-CE1 3.72Å; Q240-Y242 HydrophobicContact CG-CE2 4.35Å; Q240-Y242 HydrophobicContact CG-CG 4.35Å; Q240-Y242 WeakPolarHBondContact CG-O 3.45Å; Q240-Y242 VanDerWaalsContact NE2-CE2 3.28Å; Q240-Y242 PolarHBondContact NE2-O 2.89Å; Y242-H244 AromaticContact CE2-NE2 3.9Å; Y242-F385 HydrophobicContact CE2-CE1 4.2Å; Y242-F385 AromaticContact CZ-CE1 3.98Å; Y242-F385 VanDerWaalsContact OH-CE1 3.22Å; Y242-F385 WeakPolarHBondContact OH-CE1 3.36Å; Y242-F385 VanDerWaalsContact OH-CZ 3.25Å; Y242-F385 WeakPolarHBondContact OH-CZ 3.33Å; Y242-N411 PolarHBondContact OH-ND2 3.27Å
243R95.9Very high93.7Very high12 Ų1236.9 Ų36.95%0.04519%0.191CC..EExtended strand (participates in β ladder)trans-131.6152.9175.361.5-170.4173.2174.811.5111.4H183 M184 F186 V245 D246 I472 D473H183-R243 HydrophobicContact CB-CB 4.38Å; H183-R243 HydrophobicContact CB-CG 4.01Å; M184-R243 PolarHBondContact O-N 3.5Å; M184-R243 VanDerWaalsContact O-N 3.1Å; F186-R243 WeakPolarHBondContact CB-O 3.32Å; F186-R243 PolarHBondContact N-O 3.02Å; R243-V245 VanDerWaalsContact CD-O 3.31Å; R243-V245 WeakPolarHBondContact CD-O 3.43Å; R243-V245 WeakPolarHBondContact CG-O 3.28Å; R243-D246 WeakPolarHBondContact CG-OD1 3.17Å; R243-D246 VanDerWaalsContact CZ-O 3.26Å; R243-D246 IonicContact CZ-OD1 3.79Å; R243-D246 IonicContact NE-OD1 3.83Å; R243-D246 PolarHBondContact NE-OD1 3.5Å; R243-D246 PolarHBondContact NH1-O 2.95Å; R243-D246 PolarHBondContact NH2-O 2.82Å; R243-D246 IonicContact NH2-OD1 2.73Å; R243-D246 PolarHBondContact NH2-OD1 3.17Å; R243-I472 HydrophobicContact CB-CG2 3.84Å; R243-D473 PolarHBondContact NH1-O 2.91Å
244H95.9Very high93.8Very high5 Ų534.7 Ų34.72%0.02317%0.173CC..SBendtrans-83-31.2-178.2-79.5-84.1000112.3F186 Y242 F385 S387 K388F186-H244 AromaticContact CD1-CE1 3.85Å; F186-H244 AromaticContact CD1-ND1 3.69Å; F186-H244 AromaticContact CD2-CE1 3.71Å; F186-H244 AromaticContact CE1-CE1 3.89Å; F186-H244 AromaticContact CE2-CE1 3.77Å; F186-H244 AromaticContact CG-CE1 3.75Å; F186-H244 AromaticContact CG-ND1 3.67Å; F186-H244 AromaticContact CZ-CE1 3.85Å; Y242-H244 AromaticContact CE2-NE2 3.9Å; H244-F385 PolarHBondContact CE1-O 3.38Å; H244-S387 WeakPolarHBondContact CB-O 3.47Å; H244-S387 VanDerWaalsContact CG-O 3.27Å; H244-K388 HydrophobicContact CB-CG 4.1Å
245V97.2Very high93.9Very high0 Ų032.8 Ų32.80%015%0.154CC..  trans-125.2134.6172.3175.80000108.3R243 N247 Y278 I288 A290 K388 V390 I474R243-V245 VanDerWaalsContact CD-O 3.31Å; R243-V245 WeakPolarHBondContact CD-O 3.43Å; R243-V245 WeakPolarHBondContact CG-O 3.28Å; V245-N247 WeakPolarHBondContact CG1-O 3.27Å; V245-Y278 HydrophobicContact CG2-CD1 4.3Å; V245-Y278 HydrophobicContact CG2-CE1 3.89Å; V245-I288 HydrophobicContact CG2-CG2 4.4Å; V245-A290 HydrophobicContact CG1-CB 3.91Å; V245-K388 HydrophobicContact CG2-CB 3.89Å; V245-K388 HydrophobicContact CG2-CG 4.27Å; V245-K388 WeakPolarHBondContact CG2-O 3.44Å; V245-V390 HydrophobicContact CB-CG1 3.87Å; V245-V390 HydrophobicContact CG1-CG1 3.95Å; V245-V390 HydrophobicContact CG2-CG1 4.05Å; V245-I474 HydrophobicContact CB-CD1 4.36Å; V245-I474 WeakPolarHBondContact O-CD1 3.43Å
246D95.9Very high93.9Very high1 Ų132.2 Ų32.21%0.00515%0.152CC..  trans-96-29-174.9-67.8-74.9000113.5S185 R243 I284 G287 I288 T475S185-D246 WeakPolarHBondContact CB-OD2 3.49Å; R243-D246 WeakPolarHBondContact CG-OD1 3.17Å; R243-D246 VanDerWaalsContact CZ-O 3.26Å; R243-D246 IonicContact CZ-OD1 3.79Å; R243-D246 IonicContact NE-OD1 3.83Å; R243-D246 PolarHBondContact NE-OD1 3.5Å; R243-D246 PolarHBondContact NH1-O 2.95Å; R243-D246 PolarHBondContact NH2-O 2.82Å; R243-D246 IonicContact NH2-OD1 2.73Å; R243-D246 PolarHBondContact NH2-OD1 3.17Å; D246-I284 HydrophobicContact CB-CD1 3.98Å; D246-G287 WeakPolarHBondContact OD2-CA 3.41Å; D246-I288 WeakPolarHBondContact CB-O 3.33Å; D246-I288 PolarHBondContact N-O 3.3Å; D246-I288 PolarHBondContact OD2-N 2.88Å; D246-T475 PolarHBondContact O-OG1 2.75Å
247N96.5Very high93.9Very high3 Ų332.8 Ų32.82%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-148.7139.9-175.5176.6-110.3000110.9V245 I288 R289 A290 T475 T477V245-N247 WeakPolarHBondContact CG1-O 3.27Å; N247-I288 PolarHBondContact N-O 3.43Å; N247-R289 HydrophobicContact CB-CB 4.45Å; N247-R289 HydrophobicContact CB-CG 4.43Å; N247-R289 CarbonylContact O-C 3.49Å; N247-R289 VanDerWaalsContact O-CA 3.3Å; N247-R289 WeakPolarHBondContact O-CA 3.29Å; N247-R289 WeakPolarHBondContact OD1-CG 3.14Å; N247-R289 PolarHBondContact OD1-NE 2.86Å; N247-A290 PolarHBondContact O-N 2.89Å; N247-T475 WeakPolarHBondContact CA-O 3.31Å; N247-T475 PolarHBondContact ND2-O 3.24Å; N247-T475 PolarHBondContact ND2-OG1 3.46Å; N247-T477 WeakPolarHBondContact ND2-CG2 3.42Å; N247-T477 PolarHBondContact ND2-OG1 3.33Å; N247-T477 PolarHBondContact OD1-OG1 3.1Å
248I97.8Very high94Very high0 Ų034.4 Ų34.40%016%0.159CC..EExtended strand (participates in β ladder)trans-108.1125.1170.5-57.6166.4000106.5F250 V292 V390 V392 I474 T475 T476 T477I248-F250 HydrophobicContact CG2-CE2 4.46Å; I248-V292 HydrophobicContact CG2-CG2 4.15Å; I248-V390 HydrophobicContact CD1-CB 3.66Å; I248-V390 HydrophobicContact CD1-CG1 4.01Å; I248-V390 HydrophobicContact CD1-CG2 3.69Å; I248-V390 HydrophobicContact CG1-CB 4.18Å; I248-V390 HydrophobicContact CG1-CG1 4.07Å; I248-V390 HydrophobicContact CG1-CG2 4.01Å; I248-V392 HydrophobicContact CD1-CG2 3.7Å; I248-V392 HydrophobicContact CG2-CG2 4.15Å; I248-I474 HydrophobicContact CD1-CB 4.32Å; I248-I474 HydrophobicContact CD1-CG2 3.99Å; I248-I474 HydrophobicContact CG1-CG2 3.78Å; I248-T475 PolarHBondContact N-O 3.31Å; I248-T476 HydrophobicContact CB-CG2 4.44Å; I248-T476 HydrophobicContact CG2-CG2 4.45Å; I248-T476 CarbonylContact O-C 3.54Å; I248-T476 VanDerWaalsContact O-CA 3.3Å; I248-T476 WeakPolarHBondContact O-CA 3.36Å; I248-T477 PolarHBondContact O-N 3.36Å; I248-T477 PolarHBondContact O-OG1 3.48Å
249M96.9Very high94.3Very high5 Ų530.7 Ų30.73%0.02514%0.139CC..EExtended strand (participates in β ladder)trans-124.3116.4-178.7-171.5179.381.500109.5R289 A290 E291 V292 T477 P479M249-R289 HydrophobicContact CB-CG 3.98Å; M249-A290 PolarHBondContact N-O 3.5Å; M249-E291 HydrophobicContact CE-CB 4.46Å; M249-E291 HydrophobicContact CE-CG 3.72Å; M249-E291 CarbonylContact O-C 3.6Å; M249-E291 WeakPolarHBondContact O-CA 3.48Å; M249-V292 PolarHBondContact O-N 2.88Å; M249-T477 WeakPolarHBondContact CA-O 3.23Å; M249-P479 HydrophobicContact CE-CB 4.45Å; M249-P479 HydrophobicContact SD-CB 3.93Å; M249-P479 HydrophobicContact SD-CG 4.37Å
250F97.3Very high94.6Very high0 Ų023.2 Ų23.20%011%0.111CC..EExtended strand (participates in β ladder)trans-77.9127.2167.4-70.3-86.3000108.4I248 N252 I255 L274 V292 I295 I333 V392 F404 T476 T477 F478 P479I248-F250 HydrophobicContact CG2-CE2 4.46Å; F250-N252 PolarHBondContact O-N 3.18Å; F250-N252 VanDerWaalsContact O-N 3.15Å; F250-I255 HydrophobicContact CD1-CG2 4.18Å; F250-L274 HydrophobicContact CE1-CD2 4.17Å; F250-V292 HydrophobicContact CD1-CB 3.89Å; F250-V292 HydrophobicContact CD1-CG1 3.86Å; F250-V292 HydrophobicContact CD1-CG2 4.4Å; F250-V292 HydrophobicContact CE1-CB 4.18Å; F250-V292 HydrophobicContact CE1-CG1 3.9Å; F250-V292 HydrophobicContact CE1-CG2 4.34Å; F250-I295 HydrophobicContact CE1-CD1 4.22Å; F250-I333 HydrophobicContact CZ-CD1 4.15Å; F250-V392 HydrophobicContact CE2-CG1 4.41Å; F250-V392 HydrophobicContact CZ-CG1 4.25Å; F250-F404 HydrophobicContact CE2-CB 4.47Å; F250-F404 HydrophobicContact CE2-CG 4.43Å; F250-T476 HydrophobicContact CD2-CG2 3.86Å; F250-T476 HydrophobicContact CE2-CG2 3.6Å; F250-T477 PolarHBondContact N-O 3.28Å; F250-T477 VanDerWaalsContact N-O 3.08Å; F250-F478 HydrophobicContact CB-CD1 3.71Å; F250-F478 HydrophobicContact CB-CE1 3.43Å; F250-F478 VanDerWaalsContact CB-CE1 3.43Å; F250-F478 HydrophobicContact CB-CZ 4.19Å; F250-F478 HydrophobicContact CD2-CE1 4.21Å; F250-F478 HydrophobicContact CD2-CZ 4.11Å; F250-F478 HydrophobicContact CG-CE1 4.01Å; F250-F478 HydrophobicContact CG-CZ 4.34Å; F250-P479 WeakPolarHBondContact O-CD 3.29Å
251E95.3Very high94.7Very high4 Ų424 Ų242%0.01912%0.116CC..SBendtrans-55.7-35.1-177.2-77.1-176.9-179.800112.5I255 V292 A293 P479 Q483 T485E251-I255 HydrophobicContact CB-CD1 4.05Å; E251-V292 WeakPolarHBondContact CG-O 3.4Å; E251-V292 PolarHBondContact N-O 3.26Å; E251-A293 WeakPolarHBondContact OE1-CB 3.38Å; E251-P479 WeakPolarHBondContact O-CG 3.48Å; E251-Q483 CarbonylContact C-O 3.51Å; E251-Q483 HydrophobicContact CB-CB 4.14Å; E251-Q483 WeakPolarHBondContact CB-O 3.33Å; E251-Q483 HydrophobicContact CG-CB 4.27Å; E251-Q483 PolarHBondContact O-N 2.82Å; E251-T485 VanDerWaalsContact CD-OG1 3.29Å; E251-T485 PolarHBondContact OE1-OG1 3.2Å; E251-T485 VanDerWaalsContact OE2-CB 3.28Å; E251-T485 WeakPolarHBondContact OE2-CB 3.4Å; E251-T485 PolarHBondContact OE2-N 2.82Å; E251-T485 PolarHBondContact OE2-OG1 3.33Å
252N93.6Very high94.8Very high7 Ų717.9 Ų17.94%0.0379%0.089CC..  trans-154.3162.9177.659.870.4000111.5F250 T254 I255 P482 Q483 Y484F250-N252 PolarHBondContact O-N 3.18Å; F250-N252 VanDerWaalsContact O-N 3.15Å; N252-T254 VanDerWaalsContact C-N 3.26Å; N252-T254 PolarHBondContact O-N 3.42Å; N252-T254 WeakPolarHBondContact OD1-CA 3.28Å; N252-T254 WeakPolarHBondContact OD1-CB 3.4Å; N252-T254 PolarHBondContact OD1-N 2.97Å; N252-T254 PolarHBondContact OD1-OG1 3.28Å; N252-I255 WeakPolarHBondContact OD1-CG1 3.36Å; N252-I255 PolarHBondContact OD1-N 3.08Å; N252-P482 HydrophobicContact CB-CB 4.18Å; N252-Q483 PolarHBondContact ND2-O 3.49Å; N252-Y484 HydrophobicContact CB-CD1 4.43Å; N252-Y484 HydrophobicContact CB-CE1 3.88Å; N252-Y484 WeakPolarHBondContact ND2-CD1 3.46Å
253H92.3Very high94.7Very high103 Ų10318.8 Ų18.848%0.4779%0.093SC..Hα-helixtrans-66.5-26.3177.8-68.3-79.3000113.3I255 A256 D257 F478H253-I255 VanDerWaalsContact C-N 3.28Å; H253-I255 PolarHBondContact O-N 2.89Å; H253-A256 PolarHBondContact O-N 2.81Å; H253-D257 PolarHBondContact O-N 2.84Å; H253-F478 AromaticContact CE1-CD1 3.63Å; H253-F478 AromaticContact CE1-CD2 3.55Å; H253-F478 AromaticContact CE1-CG 3.33Å; H253-F478 WeakPolarHBondContact CE1-CG 3.44Å; H253-F478 AromaticContact CG-CD1 3.94Å; H253-F478 AromaticContact ND1-CD1 3.55Å; H253-F478 AromaticContact ND1-CD2 3.96Å; H253-F478 AromaticContact ND1-CE1 3.61Å; H253-F478 AromaticContact ND1-CG 3.74Å; H253-F478 AromaticContact ND1-CZ 3.86Å; H253-F478 AromaticContact NE2-CG 3.8Å
254T91.7Very high94.5Very high58 Ų5824 Ų2436%0.35611%0.112SC..Hα-helixtrans-67.4-28.7-174.767.70000113.3N252 R258N252-T254 VanDerWaalsContact C-N 3.26Å; N252-T254 PolarHBondContact O-N 3.42Å; N252-T254 WeakPolarHBondContact OD1-CA 3.28Å; N252-T254 WeakPolarHBondContact OD1-CB 3.4Å; N252-T254 PolarHBondContact OD1-N 2.97Å; N252-T254 PolarHBondContact OD1-OG1 3.28Å; T254-R258 WeakPolarHBondContact O-CB 3.27Å; T254-R258 PolarHBondContact O-N 2.94Å
255I93.5Very high94.3Very high19 Ų1929.7 Ų29.710%0.09714%0.137CC..Hα-helixtrans-61.2-51.6173.1-66.9158.8000110.1F250 E251 N252 H253 F259 A293 I295F250-I255 HydrophobicContact CD1-CG2 4.18Å; E251-I255 HydrophobicContact CB-CD1 4.05Å; N252-I255 WeakPolarHBondContact OD1-CG1 3.36Å; N252-I255 PolarHBondContact OD1-N 3.08Å; H253-I255 VanDerWaalsContact C-N 3.28Å; H253-I255 PolarHBondContact O-N 2.89Å; I255-F259 PolarHBondContact O-N 3.25Å; I255-A293 VanDerWaalsContact CD1-O 3.25Å; I255-A293 WeakPolarHBondContact CD1-O 3.29Å; I255-I295 HydrophobicContact CG2-CD1 3.62Å; I255-I295 HydrophobicContact CG2-CG1 3.64Å
256A92.8Very high94Very high3 Ų331.7 Ų31.73%0.02515%0.149CC..Hα-helixtrans-63.9-44.6179.100000111.6H253 R258 F259 L260 F404 F478H253-A256 PolarHBondContact O-N 2.81Å; A256-R258 PolarHBondContact O-N 2.78Å; A256-F259 WeakPolarHBondContact O-CB 3.39Å; A256-F259 PolarHBondContact O-N 3.19Å; A256-L260 WeakPolarHBondContact O-CG 3.4Å; A256-L260 PolarHBondContact O-N 3.31Å; A256-F404 HydrophobicContact CB-CE1 4.29Å; A256-F404 HydrophobicContact CB-CE2 3.9Å; A256-F404 HydrophobicContact CB-CZ 3.56Å; A256-F478 HydrophobicContact CB-CE1 4.24Å; A256-F478 HydrophobicContact CB-CZ 4.13Å
257D92.6Very high93.8Very high60 Ų6032.9 Ų32.932%0.32116%0.162SC..Hα-helixtrans-62.9-43.5178.9-81.2-39.9000112.9H253 F259 L260 D261 R264H253-D257 PolarHBondContact O-N 2.84Å; D257-F259 PolarHBondContact O-N 3.31Å; D257-L260 PolarHBondContact O-N 2.82Å; D257-D261 PolarHBondContact O-N 3.37Å; D257-R264 PolarHBondContact O-NH1 2.93Å; D257-R264 IonicContact OD1-CZ 3.28Å; D257-R264 IonicContact OD1-NH1 2.83Å; D257-R264 PolarHBondContact OD1-NH1 2.97Å; D257-R264 IonicContact OD1-NH2 3.01Å; D257-R264 PolarHBondContact OD1-NH2 2.84Å
258R92.9Very high93.7Very high35 Ų3534 Ų3413%0.13217%0.17CC..Hα-helixtrans-57.9-38.9175.8-96.3179.775.9161.78.5112.2T254 A256 F492 I494 R497 D527 H529T254-R258 WeakPolarHBondContact O-CB 3.27Å; T254-R258 PolarHBondContact O-N 2.94Å; A256-R258 PolarHBondContact O-N 2.78Å; R258-F492 PolarHBondContact NH2-O 2.97Å; R258-I494 HydrophobicContact CB-CD1 4.24Å; R258-R497 PolarHBondContact O-NH2 3.4Å; R258-D527 IonicContact CZ-OD2 2.97Å; R258-D527 IonicContact NH1-OD2 2.65Å; R258-D527 PolarHBondContact NH1-OD2 3.13Å; R258-D527 IonicContact NH2-OD2 3.36Å; R258-H529 PolarHBondContact NH2-CD2 2.72Å; R258-H529 PolarHBondContact NH2-NE2 3.42Å
259F95.5Very high93.6Very high2 Ų234.4 Ų34.41%0.00917%0.172CC..Hα-helixtrans-67.7-46177.2179.2-111.3000111.2I255 A256 D257 D261 F262 R270 I295 E297 I333 T335I255-F259 PolarHBondContact O-N 3.25Å; A256-F259 WeakPolarHBondContact O-CB 3.39Å; A256-F259 PolarHBondContact O-N 3.19Å; D257-F259 PolarHBondContact O-N 3.31Å; F259-D261 VanDerWaalsContact C-N 3.27Å; F259-D261 PolarHBondContact O-N 3.37Å; F259-F262 PolarHBondContact O-N 3.37Å; F259-R270 HydrophobicContact CE2-CB 4.22Å; F259-R270 HydrophobicContact CE2-CG 3.93Å; F259-R270 HydrophobicContact CZ-CB 4.19Å; F259-R270 HydrophobicContact CZ-CG 4.4Å; F259-I295 HydrophobicContact CB-CD1 3.73Å; F259-I295 HydrophobicContact CD2-CD1 4.48Å; F259-I295 HydrophobicContact CD2-CG2 3.81Å; F259-I295 HydrophobicContact CE2-CG2 4.21Å; F259-I295 HydrophobicContact CG-CD1 4.01Å; F259-I295 HydrophobicContact CG-CG2 4.39Å; F259-E297 HydrophobicContact CD2-CG 4.41Å; F259-E297 HydrophobicContact CE2-CG 4.45Å; F259-I333 HydrophobicContact CD1-CD1 3.95Å; F259-I333 HydrophobicContact CD1-CG1 4.35Å; F259-I333 HydrophobicContact CD1-CG2 4.37Å; F259-I333 HydrophobicContact CE1-CB 4.44Å; F259-I333 HydrophobicContact CE1-CD1 3.85Å; F259-I333 HydrophobicContact CE1-CG1 3.74Å; F259-I333 HydrophobicContact CE1-CG2 3.93Å; F259-I333 HydrophobicContact CE2-CG2 4.19Å; F259-I333 HydrophobicContact CZ-CG1 4.3Å; F259-I333 HydrophobicContact CZ-CG2 3.83Å; F259-T335 HydrophobicContact CD1-CG2 4.31Å; F259-T335 HydrophobicContact CE1-CG2 3.55Å; F259-T335 HydrophobicContact CZ-CG2 4.1Å
260L95Very high93.5Very high4 Ų434.3 Ų34.32%0.02117%0.171CC..Hα-helixtrans-65.7-25.2178.2-67.2178.4000113.9A256 D257 F262 W263 R264 T335 L337 A394 V402 F404A256-L260 WeakPolarHBondContact O-CG 3.4Å; A256-L260 PolarHBondContact O-N 3.31Å; D257-L260 PolarHBondContact O-N 2.82Å; L260-F262 PolarHBondContact O-N 2.72Å; L260-F262 VanDerWaalsContact O-N 3.15Å; L260-W263 PolarHBondContact O-N 3.5Å; L260-R264 WeakPolarHBondContact O-CG 3.14Å; L260-R264 PolarHBondContact O-N 3.49Å; L260-T335 HydrophobicContact CD2-CG2 4.23Å; L260-L337 HydrophobicContact CD2-CD1 3.66Å; L260-A394 HydrophobicContact CD2-CB 4.17Å; L260-V402 HydrophobicContact CD1-CB 4.35Å; L260-V402 HydrophobicContact CD1-CG1 3.79Å; L260-V402 HydrophobicContact CD2-CG1 4.16Å; L260-F404 HydrophobicContact CD1-CZ 3.9Å; L260-F404 HydrophobicContact CG-CZ 4.32Å
261D93.5Very high93.5Very high36 Ų3634.3 Ų34.319%0.19317%0.171CC..Hα-helixtrans-56.2-30.8178.7-73-19.4000112.9D257 F259 R264 K265 R491D257-D261 PolarHBondContact O-N 3.37Å; F259-D261 VanDerWaalsContact C-N 3.27Å; F259-D261 PolarHBondContact O-N 3.37Å; D261-R264 PolarHBondContact O-N 3.31Å; D261-R264 IonicContact OD1-CZ 2.78Å; D261-R264 IonicContact OD1-NH1 3.49Å; D261-R264 PolarHBondContact OD1-NH1 2.96Å; D261-K265 WeakPolarHBondContact O-CB 3.33Å; D261-K265 VanDerWaalsContact O-CG 3.32Å; D261-K265 WeakPolarHBondContact O-CG 3.37Å; D261-K265 PolarHBondContact O-N 3.43Å; D261-K265 VanDerWaalsContact O-N 3.09Å; D261-R491 IonicContact OD2-NH1 3.02Å
262F93.8Very high93.6Very high3 Ų334.1 Ų34.11%0.01317%0.17CC..Hα-helixtrans-61.4-50.6174.5-176.9-87.4000111.4F259 L260 K265 T266 R270 R497 L500F259-F262 PolarHBondContact O-N 3.37Å; L260-F262 PolarHBondContact O-N 2.72Å; L260-F262 VanDerWaalsContact O-N 3.15Å; F262-K265 PolarHBondContact O-N 3.26Å; F262-T266 HydrophobicContact CD1-CG2 4.47Å; F262-T266 HydrophobicContact CD2-CG2 4.48Å; F262-T266 HydrophobicContact CE1-CG2 4.16Å; F262-T266 WeakPolarHBondContact CE1-OG1 3.49Å; F262-T266 HydrophobicContact CE2-CG2 4.17Å; F262-T266 HydrophobicContact CZ-CG2 4Å; F262-T266 WeakPolarHBondContact O-CB 3.45Å; F262-T266 WeakPolarHBondContact O-CG2 3.36Å; F262-T266 PolarHBondContact O-N 2.63Å; F262-T266 PolarHBondContact O-OG1 2.8Å; F262-R270 HydrophobicContact CB-CG 4.31Å; F262-R270 HydrophobicContact CD1-CB 3.81Å; F262-R270 HydrophobicContact CD1-CG 3.87Å; F262-R270 HydrophobicContact CE1-CB 4.38Å; F262-R270 HydrophobicContact CE1-CG 4.4Å; F262-R270 HydrophobicContact CG-CB 4.39Å; F262-R270 HydrophobicContact CG-CG 4.05Å; F262-R497 HydrophobicContact CD2-CG 3.97Å; F262-R497 HydrophobicContact CE2-CG 4.31Å; F262-L500 HydrophobicContact CD2-CD1 3.67Å; F262-L500 HydrophobicContact CD2-CG 4.43Å; F262-L500 HydrophobicContact CE2-CD1 4.17Å; F262-L500 HydrophobicContact CE2-CG 4.47Å; F262-L500 HydrophobicContact CG-CD1 4.45Å
263W93.9Very high93.8Very high34 Ų3435.4 Ų35.413%0.12918%0.175CC..Hα-helixtrans-65.2-41.4178.6176.187.6000111.1L260 K265 T266 G267 L337 V347L260-W263 PolarHBondContact O-N 3.5Å; W263-K265 VanDerWaalsContact C-N 3.25Å; W263-K265 PolarHBondContact O-N 3.27Å; W263-T266 PolarHBondContact O-N 2.94Å; W263-G267 VanDerWaalsContact O-CA 3.28Å; W263-G267 WeakPolarHBondContact O-CA 3.29Å; W263-G267 PolarHBondContact O-N 3.15Å; W263-L337 HydrophobicContact CD2-CB 3.84Å; W263-L337 HydrophobicContact CD2-CD1 3.82Å; W263-L337 HydrophobicContact CE3-CB 4.43Å; W263-L337 HydrophobicContact CE3-CD1 3.92Å; W263-L337 HydrophobicContact CG-CB 4.27Å; W263-L337 HydrophobicContact CG-CD1 4.1Å; W263-L337 HydrophobicContact CH2-CB 4.2Å; W263-L337 HydrophobicContact CZ2-CB 3.57Å; W263-L337 HydrophobicContact CZ3-CD1 4.42Å; W263-L337 PolarHBondContact NE1-O 3.26Å; W263-V347 HydrophobicContact CH2-CG1 3.72Å; W263-V347 HydrophobicContact CZ2-CG1 4.44Å; W263-V347 HydrophobicContact CZ3-CG1 4.26Å
264R91.7Very high94.1Very high121 Ų12130.5 Ų30.546%0.45715%0.152SC..Hα-helixtrans-59-35.7178.1-67.8171.7-176.1148.4-2.8112.6D257 L260 D261D257-R264 PolarHBondContact O-NH1 2.93Å; D257-R264 IonicContact OD1-CZ 3.28Å; D257-R264 IonicContact OD1-NH1 2.83Å; D257-R264 PolarHBondContact OD1-NH1 2.97Å; D257-R264 IonicContact OD1-NH2 3.01Å; D257-R264 PolarHBondContact OD1-NH2 2.84Å; L260-R264 WeakPolarHBondContact O-CG 3.14Å; L260-R264 PolarHBondContact O-N 3.49Å; D261-R264 PolarHBondContact O-N 3.31Å; D261-R264 IonicContact OD1-CZ 2.78Å; D261-R264 IonicContact OD1-NH1 3.49Å; D261-R264 PolarHBondContact OD1-NH1 2.96Å
265K91.3Very high94.4Very high126 Ų12627.8 Ų27.855%0.54814%0.135SC..Hα-helixtrans-85.6-37.3-179.6-68.2177.2-172.5-176.20113.4D261 F262 W263 L500 E502D261-K265 WeakPolarHBondContact O-CB 3.33Å; D261-K265 VanDerWaalsContact O-CG 3.32Å; D261-K265 WeakPolarHBondContact O-CG 3.37Å; D261-K265 PolarHBondContact O-N 3.43Å; D261-K265 VanDerWaalsContact O-N 3.09Å; F262-K265 PolarHBondContact O-N 3.26Å; W263-K265 VanDerWaalsContact C-N 3.25Å; W263-K265 PolarHBondContact O-N 3.27Å; K265-L500 HydrophobicContact CB-CD1 4.5Å; K265-L500 HydrophobicContact CB-CD2 3.62Å; K265-L500 HydrophobicContact CD-CD1 4.09Å; K265-L500 HydrophobicContact CD-CD2 4.01Å; K265-L500 HydrophobicContact CG-CD2 4.48Å; K265-E502 IonicContact NZ-OE1 3.27Å; K265-E502 PolarHBondContact NZ-OE1 3.14Å
266T91.4Very high94.5Very high41 Ų4126.9 Ų26.925%0.25213%0.131SC..Hα-helixtrans-101.6-27.9-172.163.30000114.2F262 W263 S268 L500F262-T266 HydrophobicContact CD1-CG2 4.47Å; F262-T266 HydrophobicContact CD2-CG2 4.48Å; F262-T266 HydrophobicContact CE1-CG2 4.16Å; F262-T266 WeakPolarHBondContact CE1-OG1 3.49Å; F262-T266 HydrophobicContact CE2-CG2 4.17Å; F262-T266 HydrophobicContact CZ-CG2 4Å; F262-T266 WeakPolarHBondContact O-CB 3.45Å; F262-T266 WeakPolarHBondContact O-CG2 3.36Å; F262-T266 PolarHBondContact O-N 2.63Å; F262-T266 PolarHBondContact O-OG1 2.8Å; W263-T266 PolarHBondContact O-N 2.94Å; T266-S268 PolarHBondContact O-N 3.47Å; T266-S268 PolarHBondContact OG1-N 2.78Å; T266-S268 VanDerWaalsContact OG1-N 3.07Å; T266-L500 HydrophobicContact CG2-CD1 4.33Å; T266-L500 HydrophobicContact CG2-CD2 3.44Å; T266-L500 VanDerWaalsContact CG2-CD2 3.44Å; T266-L500 HydrophobicContact CG2-CG 3.89Å
267G91.1Very high94.7Very high27 Ų2730.7 Ų30.728%0.27815%0.145SC..  trans710.6-165.900000114.5W263W263-G267 VanDerWaalsContact O-CA 3.28Å; W263-G267 WeakPolarHBondContact O-CA 3.29Å; W263-G267 PolarHBondContact O-N 3.15Å
268S93.5Very high94.9Very high26 Ų2629.6 Ų29.618%0.18214%0.136CC..  trans-90.4150.1177.1-68.50000111T266T266-S268 PolarHBondContact O-N 3.47Å; T266-S268 PolarHBondContact OG1-N 2.78Å; T266-S268 VanDerWaalsContact OG1-N 3.07Å
269Q95.2Very high95.1Very high9 Ų929.5 Ų29.54%0.04214%0.14CC..  trans-68165.5176.3-53.5-52.4-27.500111.4A302 T303 Q304 T335 L337Q269-A302 WeakPolarHBondContact O-CB 3.46Å; Q269-T303 PolarHBondContact N-O 3.49Å; Q269-Q304 WeakPolarHBondContact CG-O 3.39Å; Q269-Q304 PolarHBondContact NE2-O 2.71Å; Q269-T335 WeakPolarHBondContact CA-OG1 3.3Å; Q269-T335 WeakPolarHBondContact CB-OG1 3.34Å; Q269-T335 PolarHBondContact OE1-O 3.24Å; Q269-T335 PolarHBondContact OE1-OG1 2.76Å; Q269-L337 PolarHBondContact NE2-O 3.01Å; Q269-L337 VanDerWaalsContact OE1-N 3.12Å
270R95.9Very high95Very high3 Ų332.5 Ų32.51%0.01115%0.154CC..  trans-148.8152.6-179.4-159.962.5171.7178.92.6111.4F259 F262 E297 L307 F334 T335 N496F259-R270 HydrophobicContact CE2-CB 4.22Å; F259-R270 HydrophobicContact CE2-CG 3.93Å; F259-R270 HydrophobicContact CZ-CB 4.19Å; F259-R270 HydrophobicContact CZ-CG 4.4Å; F262-R270 HydrophobicContact CB-CG 4.31Å; F262-R270 HydrophobicContact CD1-CB 3.81Å; F262-R270 HydrophobicContact CD1-CG 3.87Å; F262-R270 HydrophobicContact CE1-CB 4.38Å; F262-R270 HydrophobicContact CE1-CG 4.4Å; F262-R270 HydrophobicContact CG-CB 4.39Å; F262-R270 HydrophobicContact CG-CG 4.05Å; R270-E297 IonicContact CZ-OE2 2.72Å; R270-E297 VanDerWaalsContact CZ-OE2 3.23Å; R270-E297 IonicContact NE-OE2 3.59Å; R270-E297 PolarHBondContact NE-OE2 2.8Å; R270-E297 IonicContact NH2-OE2 3.39Å; R270-E297 PolarHBondContact NH2-OE2 2.83Å; R270-L307 VanDerWaalsContact C-CD1 3.45Å; R270-F334 CarbonylContact O-C 3.58Å; R270-F334 WeakPolarHBondContact O-CA 3.23Å; R270-T335 PolarHBondContact N-OG1 2.93Å; R270-T335 PolarHBondContact O-N 3.18Å; R270-N496 PolarHBondContact NH2-O 2.66Å
271M96.3Very high95Very high0 Ų032.9 Ų32.90%016%0.155CC..EExtended strand (participates in β ladder)trans-127.6147.1174.2177-82.4-156.300110.5Y273 P298 Q300 L307 L309 W332 I333 F334 F369M271-Y273 HydrophobicContact CE-CD1 4.05Å; M271-Y273 HydrophobicContact CE-CD2 4.46Å; M271-Y273 HydrophobicContact CE-CE1 3.57Å; M271-Y273 HydrophobicContact CE-CE2 4.05Å; M271-Y273 HydrophobicContact CE-CG 4.47Å; M271-P298 HydrophobicContact CE-CG 4.41Å; M271-P298 HydrophobicContact SD-CG 3.65Å; M271-Q300 PolarHBondContact O-NE2 2.74Å; M271-Q300 PolarHBondContact O-OE1 3.31Å; M271-L307 HydrophobicContact CB-CD1 3.5Å; M271-L307 VanDerWaalsContact CB-CD1 3.5Å; M271-L307 HydrophobicContact CB-CD2 3.71Å; M271-L307 HydrophobicContact CB-CG 4.22Å; M271-L307 HydrophobicContact CG-CD2 4.32Å; M271-L309 HydrophobicContact CB-CD2 4.38Å; M271-L309 HydrophobicContact CE-CD1 3.61Å; M271-L309 HydrophobicContact CE-CD2 3.79Å; M271-L309 HydrophobicContact CE-CG 4.36Å; M271-L309 HydrophobicContact CG-CD2 4.13Å; M271-L309 HydrophobicContact SD-CD1 4.48Å; M271-L309 HydrophobicContact SD-CD2 3.56Å; M271-L309 VanDerWaalsContact SD-CD2 3.56Å; M271-W332 HydrophobicContact CE-CB 4.19Å; M271-W332 HydrophobicContact CE-CE3 3.9Å; M271-W332 HydrophobicContact CG-CE3 3.67Å; M271-W332 HydrophobicContact CG-CZ3 4.08Å; M271-I333 CarbonylContact C-O 3.53Å; M271-I333 VanDerWaalsContact CA-O 3.23Å; M271-I333 WeakPolarHBondContact CA-O 3.33Å; M271-I333 WeakPolarHBondContact CG-O 3.09Å; M271-F334 HydrophobicContact CB-CB 4.22Å; M271-F334 HydrophobicContact CG-CB 4.43Å; M271-F369 HydrophobicContact CE-CE2 4.2Å; M271-F369 HydrophobicContact CE-CZ 3.98Å
272G97.4Very high94.9Very high0 Ų036.4 Ų36.40%018%0.178CC..EExtended strand (participates in β ladder)trans-145156.117100000112.3Y296 W332 I333G272-Y296 CarbonylContact C-O 3.57Å; G272-Y296 WeakPolarHBondContact CA-O 3.07Å; G272-W332 CarbonylContact O-C 3.58Å; G272-W332 VanDerWaalsContact O-CA 3.3Å; G272-W332 WeakPolarHBondContact O-CA 3.45Å; G272-I333 PolarHBondContact N-O 3.36Å; G272-I333 PolarHBondContact O-N 2.76Å
273Y98.1Very high94.6Very high33 Ų3341.2 Ų41.213%0.12920%0.204CC..EExtended strand (participates in β ladder)trans-87.6133.3168.4-69.7-64.6000110.3M271 I295 Y296 P298 K329 W332 F369 F389M271-Y273 HydrophobicContact CE-CD1 4.05Å; M271-Y273 HydrophobicContact CE-CD2 4.46Å; M271-Y273 HydrophobicContact CE-CE1 3.57Å; M271-Y273 HydrophobicContact CE-CE2 4.05Å; M271-Y273 HydrophobicContact CE-CG 4.47Å; Y273-I295 CarbonylContact O-C 3.59Å; Y273-I295 WeakPolarHBondContact O-CA 3.35Å; Y273-Y296 HydrophobicContact CD2-CD1 4.18Å; Y273-Y296 PolarHBondContact N-O 3.3Å; Y273-Y296 PolarHBondContact O-N 3.48Å; Y273-P298 HydrophobicContact CD2-CB 4.21Å; Y273-P298 HydrophobicContact CD2-CG 3.88Å; Y273-P298 HydrophobicContact CE2-CB 3.91Å; Y273-P298 HydrophobicContact CE2-CG 3.66Å; Y273-K329 HydrophobicContact CD1-CD 3.85Å; Y273-K329 HydrophobicContact CD1-CG 4.37Å; Y273-K329 HydrophobicContact CE1-CD 4.37Å; Y273-K329 HydrophobicContact CG-CD 4.11Å; Y273-W332 HydrophobicContact CD1-CB 4.09Å; Y273-W332 HydrophobicContact CE1-CB 4.44Å; Y273-F369 HydrophobicContact CE1-CE1 4.12Å; Y273-F369 HydrophobicContact CE1-CZ 4.28Å; Y273-F369 WeakPolarHBondContact OH-CE1 3.32Å; Y273-F389 HydrophobicContact CD1-CZ 4.34Å; Y273-F389 HydrophobicContact CE1-CZ 4.5Å
274L98.3Very high94.5Very high0 Ų040.1 Ų40.10%020%0.2CC..EExtended strand (participates in β ladder)trans-85.5117.9177.9-55.7178.7000109F250 V292 I295 K329 V330 G331 I333 V390 V392F250-L274 HydrophobicContact CE1-CD2 4.17Å; L274-V292 HydrophobicContact CB-CG1 4.18Å; L274-V292 HydrophobicContact CB-CG2 4.2Å; L274-V292 HydrophobicContact CD1-CG2 4.19Å; L274-V292 HydrophobicContact CD2-CG1 3.99Å; L274-I295 HydrophobicContact CD2-CD1 4.21Å; L274-I295 HydrophobicContact CD2-CG1 3.77Å; L274-K329 CarbonylContact O-C 3.49Å; L274-K329 WeakPolarHBondContact O-CA 3.46Å; L274-V330 HydrophobicContact CB-CG2 3.81Å; L274-V330 WeakPolarHBondContact O-CG2 3.24Å; L274-V330 PolarHBondContact O-N 2.82Å; L274-G331 PolarHBondContact N-O 3.23Å; L274-G331 PolarHBondContact O-N 3.02Å; L274-I333 HydrophobicContact CD1-CB 4.49Å; L274-I333 HydrophobicContact CD2-CB 3.82Å; L274-I333 HydrophobicContact CD2-CG2 3.48Å; L274-I333 VanDerWaalsContact CD2-CG2 3.48Å; L274-I333 HydrophobicContact CG-CB 4.31Å; L274-I333 HydrophobicContact CG-CG2 4.27Å; L274-V390 HydrophobicContact CD1-CG2 4.28Å; L274-V392 HydrophobicContact CD1-CB 4.32Å; L274-V392 HydrophobicContact CD1-CG2 3.67Å
275Y98Very high94.5Very high1 Ų135.2 Ų35.20%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-105.1132.7172.6-75.9-89.1000110.3A293 A294 Y296 V318 D319 A322 C328 K329 F528Y275-A293 PolarHBondContact O-N 2.95Å; Y275-A294 PolarHBondContact N-O 3.18Å; Y275-A294 PolarHBondContact O-N 3.43Å; Y275-A294 VanDerWaalsContact O-N 3.07Å; Y275-Y296 VanDerWaalsContact CE2-CB 3.49Å; Y275-Y296 HydrophobicContact CE2-CD1 4.21Å; Y275-Y296 HydrophobicContact CE2-CG 4.14Å; Y275-V318 HydrophobicContact CE1-CG1 4.31Å; Y275-V318 HydrophobicContact CE2-CG1 3.89Å; Y275-V318 VanDerWaalsContact OH-CG1 3.29Å; Y275-V318 WeakPolarHBondContact OH-CG1 3.11Å; Y275-D319 WeakPolarHBondContact CE1-OD1 3.38Å; Y275-D319 PolarHBondContact OH-OD1 3.14Å; Y275-A322 HydrophobicContact CD1-CB 3.45Å; Y275-A322 VanDerWaalsContact CD1-CB 3.45Å; Y275-A322 HydrophobicContact CE1-CB 3.63Å; Y275-A322 HydrophobicContact CG-CB 4.43Å; Y275-C328 WeakPolarHBondContact CA-O 3.43Å; Y275-K329 HydrophobicContact CD1-CB 4.39Å; Y275-K329 HydrophobicContact CE1-CB 4.02Å; Y275-K329 HydrophobicContact CE1-CG 4.36Å; Y275-K329 WeakPolarHBondContact OH-CE 3.44Å; Y275-F528 HydrophobicContact CD2-CZ 4.22Å; Y275-F528 HydrophobicContact CG-CZ 4.28Å
276G96.9Very high94.6Very high0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-173.1-160.7-163.800000113.2E291 L327 C328G276-E291 CarbonylContact C-O 3.15Å; G276-E291 WeakPolarHBondContact CA-O 3.46Å; G276-L327 CarbonylContact O-C 3.54Å; G276-L327 VanDerWaalsContact O-CA 3.23Å; G276-L327 WeakPolarHBondContact O-CA 3.39Å; G276-C328 PolarHBondContact N-O 3.42Å; G276-C328 PolarHBondContact O-N 3.04Å
277R96.3Very high94.8Very high84 Ų8427.6 Ų27.632%0.31715%0.148SC..EExtended strand (participates in β ladder)trans-142.4156176.464.1-173.485.2-147.67.2110.5T279 E291 T485R277-T279 HydrophobicContact CG-CG2 4.03Å; R277-E291 HydrophobicContact CG-CB 4.13Å; R277-E291 PolarHBondContact N-O 3.37Å; R277-E291 PolarHBondContact O-N 3.33Å; R277-T485 PolarHBondContact NH2-OG1 2.95Å
278Y97.3Very high95.1Very high37 Ų3726.5 Ų26.515%0.14514%0.136CC..EExtended strand (participates in β ladder)trans-95.2122.6173.2-61.6-70.3000110.1V245 I288 R289 A290 V330 K388V245-Y278 HydrophobicContact CG2-CD1 4.3Å; V245-Y278 HydrophobicContact CG2-CE1 3.89Å; Y278-I288 HydrophobicContact CD1-CG2 3.96Å; Y278-I288 HydrophobicContact CG-CG2 4.38Å; Y278-R289 CarbonylContact C-O 3.5Å; Y278-R289 WeakPolarHBondContact CA-O 3.41Å; Y278-A290 HydrophobicContact CD1-CB 4.08Å; Y278-A290 HydrophobicContact CE1-CB 4.01Å; Y278-V330 HydrophobicContact CD1-CG1 4.47Å; Y278-V330 HydrophobicContact CD2-CG1 4.48Å; Y278-V330 HydrophobicContact CE1-CB 4.18Å; Y278-V330 HydrophobicContact CE1-CG1 4.04Å; Y278-V330 HydrophobicContact CE2-CG1 4.05Å; Y278-V330 WeakPolarHBondContact OH-CA 3.19Å; Y278-V330 PolarHBondContact OH-O 3.06Å; Y278-K388 HydrophobicContact CE1-CB 3.77Å; Y278-K388 HydrophobicContact CE2-CB 4.25Å; Y278-K388 WeakPolarHBondContact OH-CB 3.47Å; Y278-K388 PolarHBondContact OH-O 3.22Å
279T95.8Very high95.2Very high33 Ų3327.5 Ų27.520%0.20214%0.135CC..EExtended strand (participates in β ladder)trans-121166.8178.960.50000111.4R277 R289 E291R277-T279 HydrophobicContact CG-CG2 4.03Å; T279-R289 PolarHBondContact N-O 3.14Å; T279-R289 PolarHBondContact O-N 3.36Å; T279-E291 VanDerWaalsContact CG2-CD 3.43Å; T279-E291 HydrophobicContact CG2-CG 4.16Å; T279-E291 VanDerWaalsContact CG2-OE2 3.27Å; T279-E291 WeakPolarHBondContact CG2-OE2 3.48Å; T279-E291 WeakPolarHBondContact OG1-CG 3.44Å; T279-E291 PolarHBondContact OG1-OE1 2.79Å
280E95.4Very high95.3Very high65 Ų6527 Ų2730%0.30413%0.133SC..EExtended strand (participates in β ladder)trans-70.8131.1174.6176.7176.3-157.200110I132 Y135 L136 Q139I132-E280 HydrophobicContact CD1-CB 4.4Å; Y135-E280 HydrophobicContact CE1-CB 4.28Å; Y135-E280 WeakPolarHBondContact CE1-OE2 3.42Å; Y135-E280 PolarHBondContact OH-OE2 3.18Å; L136-E280 HydrophobicContact CD2-CG 4.26Å; Q139-E280 PolarHBondContact NE2-OE1 2.96Å; Q139-E280 PolarHBondContact NE2-OE2 3.45Å; Q139-E280 PolarHBondContact OE1-OE1 3.27Å
281H93.9Very high95.4Very high12 Ų1228 Ų286%0.05614%0.138CC..EExtended strand (participates in β ladder)trans-99.3114.2170.8-175.747.1000109.7D283 G287 R289H281-D283 IonicContact CE1-OD2 2.85Å; H281-D283 PolarHBondContact CE1-OD2 3.37Å; H281-D283 IonicContact ND1-OD2 3.16Å; H281-D283 IonicContact NE2-OD2 3.08Å; H281-G287 PolarHBondContact N-O 3.29Å; H281-R289 HydrophobicContact CB-CB 4.05Å; H281-R289 PolarHBondContact ND1-NH2 3.32Å
282T90.6Very high95.5Very high109 Ų10928 Ų2867%0.66914%0.138SC*.SBendtrans-78.4-22.9-17251.70000114.5I284T282-I284 VanDerWaalsContact C-N 3.29Å; T282-I284 PolarHBondContact O-N 2.9Å
283D89Confident95.4Very high104 Ų10428.1 Ų28.156%0.55614%0.139SC*.SBendtrans-77.9-20-173.8-50.4-33.7000111.8H281H281-D283 IonicContact CE1-OD2 2.85Å; H281-D283 PolarHBondContact CE1-OD2 3.37Å; H281-D283 IonicContact ND1-OD2 3.16Å; H281-D283 IonicContact NE2-OD2 3.08Å
284I91.1Very high95.3Very high11 Ų1126.9 Ų26.96%0.05614%0.136CC..SBendtrans-118129.3177.2-61.3175.4000108.7V181 D246 T282 L286 G287V181-I284 HydrophobicContact CG1-CD1 4.1Å; V181-I284 HydrophobicContact CG1-CG1 4.48Å; V181-I284 HydrophobicContact CG1-CG2 4.49Å; V181-I284 HydrophobicContact CG2-CD1 4.01Å; V181-I284 HydrophobicContact CG2-CG1 3.99Å; D246-I284 HydrophobicContact CB-CD1 3.98Å; T282-I284 VanDerWaalsContact C-N 3.29Å; T282-I284 PolarHBondContact O-N 2.9Å; I284-L286 PolarHBondContact O-N 3Å; I284-G287 PolarHBondContact O-N 3.12Å
285P92.1Very high95.3Very high18 Ų1827.3 Ų27.312%0.11714%0.138CC..THydrogen-bonded Turntrans-54.5123.8179.8-24.832.1000112.5I143 P168 Y173 S185 G287I143-P285 HydrophobicContact CD1-CG 3.87Å; I143-P285 HydrophobicContact CG1-CG 3.98Å; P168-P285 HydrophobicContact CB-CB 3.67Å; Y173-P285 HydrophobicContact CE1-CG 4.22Å; S185-P285 PolarHBondContact OG-O 2.95Å; P285-G287 PolarHBondContact O-N 3.24Å
286L93.5Very high95.2Very high7 Ų727.3 Ų27.34%0.03714%0.138CC..THydrogen-bonded Turntrans54.931.3-177.6-53.4171.9000113.1Q139 P168 S185 H187 R191 I284Q139-L286 HydrophobicContact CB-CD2 3.8Å; P168-L286 HydrophobicContact CB-CD1 4.24Å; P168-L286 HydrophobicContact CG-CD1 4.12Å; S185-L286 WeakPolarHBondContact CB-O 3.49Å; S185-L286 PolarHBondContact OG-O 3.16Å; H187-L286 HydrophobicContact CB-CB 3.68Å; H187-L286 HydrophobicContact CB-CD1 4.18Å; R191-L286 HydrophobicContact CG-CD1 3.86Å; I284-L286 PolarHBondContact O-N 3Å
287G94.9Very high95.2Very high0 Ų027.4 Ų27.40%014%0.138CC..EExtended strand (participates in β ladder)trans-77.4153.9-177.200000113.3D246 H281 I284 P285D246-G287 WeakPolarHBondContact OD2-CA 3.41Å; H281-G287 PolarHBondContact N-O 3.29Å; I284-G287 PolarHBondContact O-N 3.12Å; P285-G287 PolarHBondContact O-N 3.24Å
288I97.1Very high95.2Very high4 Ų423.6 Ų23.62%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-114.6132.1174.7-64.3174.6000109.5I132 L136 V245 D246 N247 Y278 K388I132-I288 HydrophobicContact CG1-CG1 4.31Å; L136-I288 HydrophobicContact CD1-CD1 3.92Å; L136-I288 HydrophobicContact CD1-CG1 3.45Å; L136-I288 VanDerWaalsContact CD1-CG1 3.45Å; V245-I288 HydrophobicContact CG2-CG2 4.4Å; D246-I288 WeakPolarHBondContact CB-O 3.33Å; D246-I288 PolarHBondContact N-O 3.3Å; D246-I288 PolarHBondContact OD2-N 2.88Å; N247-I288 PolarHBondContact N-O 3.43Å; Y278-I288 HydrophobicContact CD1-CG2 3.96Å; Y278-I288 HydrophobicContact CG-CG2 4.38Å; I288-K388 HydrophobicContact CD1-CD 4.18Å
289R96.6Very high95.1Very high47 Ų4723 Ų2318%0.17713%0.125CC..EExtended strand (participates in β ladder)trans-105.7135.9169.6173.6-177.5-70.6160.63.2109.8N247 M249 Y278 T279 H281 E291N247-R289 HydrophobicContact CB-CB 4.45Å; N247-R289 HydrophobicContact CB-CG 4.43Å; N247-R289 CarbonylContact O-C 3.49Å; N247-R289 VanDerWaalsContact O-CA 3.3Å; N247-R289 WeakPolarHBondContact O-CA 3.29Å; N247-R289 WeakPolarHBondContact OD1-CG 3.14Å; N247-R289 PolarHBondContact OD1-NE 2.86Å; M249-R289 HydrophobicContact CB-CG 3.98Å; Y278-R289 CarbonylContact C-O 3.5Å; Y278-R289 WeakPolarHBondContact CA-O 3.41Å; T279-R289 PolarHBondContact N-O 3.14Å; T279-R289 PolarHBondContact O-N 3.36Å; H281-R289 HydrophobicContact CB-CB 4.05Å; H281-R289 PolarHBondContact ND1-NH2 3.32Å; R289-E291 HydrophobicContact CG-CG 3.89Å
290A97.8Very high95Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-94.5109.4166.300000109V245 N247 M249 Y278 V330V245-A290 HydrophobicContact CG1-CB 3.91Å; N247-A290 PolarHBondContact O-N 2.89Å; M249-A290 PolarHBondContact N-O 3.5Å; Y278-A290 HydrophobicContact CD1-CB 4.08Å; Y278-A290 HydrophobicContact CE1-CB 4.01Å; A290-V330 HydrophobicContact CB-CB 4.32Å
291E97.1Very high94.9Very high22 Ų2222.1 Ų22.110%0.10313%0.125CC..EExtended strand (participates in β ladder)trans-92.4117.9177.5-60.9-177.1170.100109.4M249 G276 R277 T279 R289M249-E291 HydrophobicContact CE-CB 4.46Å; M249-E291 HydrophobicContact CE-CG 3.72Å; M249-E291 CarbonylContact O-C 3.6Å; M249-E291 WeakPolarHBondContact O-CA 3.48Å; G276-E291 CarbonylContact C-O 3.15Å; G276-E291 WeakPolarHBondContact CA-O 3.46Å; R277-E291 HydrophobicContact CG-CB 4.13Å; R277-E291 PolarHBondContact N-O 3.37Å; R277-E291 PolarHBondContact O-N 3.33Å; T279-E291 VanDerWaalsContact CG2-CD 3.43Å; T279-E291 HydrophobicContact CG2-CG 4.16Å; T279-E291 VanDerWaalsContact CG2-OE2 3.27Å; T279-E291 WeakPolarHBondContact CG2-OE2 3.48Å; T279-E291 WeakPolarHBondContact OG1-CG 3.44Å; T279-E291 PolarHBondContact OG1-OE1 2.79Å; R289-E291 HydrophobicContact CG-CG 3.89Å
292V97.8Very high94.8Very high0 Ų022.5 Ų22.50%013%0.13CC..EExtended strand (participates in β ladder)trans-95.1118.2-177.6-178.80000109.4I248 M249 F250 E251 L274 V330I248-V292 HydrophobicContact CG2-CG2 4.15Å; M249-V292 PolarHBondContact O-N 2.88Å; F250-V292 HydrophobicContact CD1-CB 3.89Å; F250-V292 HydrophobicContact CD1-CG1 3.86Å; F250-V292 HydrophobicContact CD1-CG2 4.4Å; F250-V292 HydrophobicContact CE1-CB 4.18Å; F250-V292 HydrophobicContact CE1-CG1 3.9Å; F250-V292 HydrophobicContact CE1-CG2 4.34Å; E251-V292 WeakPolarHBondContact CG-O 3.4Å; E251-V292 PolarHBondContact N-O 3.26Å; L274-V292 HydrophobicContact CB-CG1 4.18Å; L274-V292 HydrophobicContact CB-CG2 4.2Å; L274-V292 HydrophobicContact CD1-CG2 4.19Å; L274-V292 HydrophobicContact CD2-CG1 3.99Å; V292-V330 HydrophobicContact CG2-CG2 4.16Å
293A96.3Very high94.9Very high4 Ų420.2 Ų20.23%0.03312%0.116CC..EExtended strand (participates in β ladder)trans-98.3-31.7179.800000112.7E251 I255 Y275 L327 T485 F486E251-A293 WeakPolarHBondContact OE1-CB 3.38Å; I255-A293 VanDerWaalsContact CD1-O 3.25Å; I255-A293 WeakPolarHBondContact CD1-O 3.29Å; Y275-A293 PolarHBondContact O-N 2.95Å; A293-L327 HydrophobicContact CB-CD1 4.18Å; A293-L327 HydrophobicContact CB-CD2 3.92Å; A293-T485 HydrophobicContact CB-CG2 4.27Å; A293-F486 HydrophobicContact CB-CE2 4.2Å
294A96.3Very high94.9Very high6 Ų621.1 Ų21.15%0.0512%0.117CC..EExtended strand (participates in β ladder)trans-153.2158.4-178.600000111.9Y275 F486 F528Y275-A294 PolarHBondContact N-O 3.18Å; Y275-A294 PolarHBondContact O-N 3.43Å; Y275-A294 VanDerWaalsContact O-N 3.07Å; A294-F486 HydrophobicContact CB-CD2 4.33Å; A294-F486 HydrophobicContact CB-CE2 3.85Å; A294-F528 HydrophobicContact CB-CB 3.9Å; A294-F528 HydrophobicContact CB-CD1 3.68Å; A294-F528 HydrophobicContact CB-CD2 4.22Å; A294-F528 HydrophobicContact CB-CE1 4.25Å; A294-F528 HydrophobicContact CB-CG 3.66Å
295I97.6Very high94.7Very high9 Ų927.4 Ų27.45%0.04615%0.151CC..EExtended strand (participates in β ladder)trans-119.1119.9174.1-58.5172.7000107.6F250 I255 F259 Y273 L274 I333 H529F250-I295 HydrophobicContact CE1-CD1 4.22Å; I255-I295 HydrophobicContact CG2-CD1 3.62Å; I255-I295 HydrophobicContact CG2-CG1 3.64Å; F259-I295 HydrophobicContact CB-CD1 3.73Å; F259-I295 HydrophobicContact CD2-CD1 4.48Å; F259-I295 HydrophobicContact CD2-CG2 3.81Å; F259-I295 HydrophobicContact CE2-CG2 4.21Å; F259-I295 HydrophobicContact CG-CD1 4.01Å; F259-I295 HydrophobicContact CG-CG2 4.39Å; Y273-I295 CarbonylContact O-C 3.59Å; Y273-I295 WeakPolarHBondContact O-CA 3.35Å; L274-I295 HydrophobicContact CD2-CD1 4.21Å; L274-I295 HydrophobicContact CD2-CG1 3.77Å; I295-I333 HydrophobicContact CD1-CG2 4.25Å; I295-I333 HydrophobicContact CG2-CG2 3.96Å; I295-H529 PolarHBondContact O-CE1 3.42Å
296Y96.9Very high94.5Very high2 Ų229.6 Ų29.61%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-96.2131.1173.5174.2-114.9000110G272 Y273 Y275 P298 D312 V318 E495 L532G272-Y296 CarbonylContact C-O 3.57Å; G272-Y296 WeakPolarHBondContact CA-O 3.07Å; Y273-Y296 HydrophobicContact CD2-CD1 4.18Å; Y273-Y296 PolarHBondContact N-O 3.3Å; Y273-Y296 PolarHBondContact O-N 3.48Å; Y275-Y296 VanDerWaalsContact CE2-CB 3.49Å; Y275-Y296 HydrophobicContact CE2-CD1 4.21Å; Y275-Y296 HydrophobicContact CE2-CG 4.14Å; Y296-P298 HydrophobicContact CE1-CB 4.15Å; Y296-P298 WeakPolarHBondContact O-CD 3.43Å; Y296-D312 VanDerWaalsContact CE1-OD2 3.31Å; Y296-D312 WeakPolarHBondContact CE1-OD2 3.47Å; Y296-D312 PolarHBondContact OH-OD2 2.83Å; Y296-V318 HydrophobicContact CD1-CG1 4.18Å; Y296-V318 HydrophobicContact CD1-CG2 4.49Å; Y296-V318 HydrophobicContact CD2-CG1 4.27Å; Y296-V318 HydrophobicContact CD2-CG2 4.44Å; Y296-V318 HydrophobicContact CE1-CG2 4.01Å; Y296-V318 HydrophobicContact CE2-CG2 3.98Å; Y296-V318 HydrophobicContact CG-CG1 4.05Å; Y296-E495 HydrophobicContact CE2-CB 4.34Å; Y296-E495 HydrophobicContact CE2-CG 4.03Å; Y296-L532 HydrophobicContact CD2-CD2 3.54Å; Y296-L532 HydrophobicContact CE2-CD2 3.33Å
297E96.1Very high94.5Very high2 Ų232 Ų321%0.00918%0.179CC..  trans-100.2106.3178.9-68-178.8-157.900110.4F259 R270 I494 N496 R497F259-E297 HydrophobicContact CD2-CG 4.41Å; F259-E297 HydrophobicContact CE2-CG 4.45Å; R270-E297 IonicContact CZ-OE2 2.72Å; R270-E297 VanDerWaalsContact CZ-OE2 3.23Å; R270-E297 IonicContact NE-OE2 3.59Å; R270-E297 PolarHBondContact NE-OE2 2.8Å; R270-E297 IonicContact NH2-OE2 3.39Å; R270-E297 PolarHBondContact NH2-OE2 2.83Å; E297-I494 HydrophobicContact CB-CG2 4.2Å; E297-I494 HydrophobicContact CG-CG2 4.06Å; E297-N496 PolarHBondContact O-ND2 3.39Å; E297-R497 IonicContact OE1-CZ 2.71Å; E297-R497 IonicContact OE1-NE 3.5Å; E297-R497 PolarHBondContact OE1-NE 3.47Å; E297-R497 IonicContact OE1-NH2 3.93Å; E297-R497 PolarHBondContact OE1-NH2 3.41Å; E297-R497 IonicContact OE2-CZ 2.71Å; E297-R497 IonicContact OE2-NE 3.47Å; E297-R497 PolarHBondContact OE2-NE 2.71Å; E297-R497 IonicContact OE2-NH2 3.59Å
298P95.3Very high94.5Very high3 Ų337.9 Ų37.92%0.01921%0.207CC..  trans-70.4163.8177.432.7-37.6000111.2M271 Y273 Y296 Q300 L309M271-P298 HydrophobicContact CE-CG 4.41Å; M271-P298 HydrophobicContact SD-CG 3.65Å; Y273-P298 HydrophobicContact CD2-CB 4.21Å; Y273-P298 HydrophobicContact CD2-CG 3.88Å; Y273-P298 HydrophobicContact CE2-CB 3.91Å; Y273-P298 HydrophobicContact CE2-CG 3.66Å; Y296-P298 HydrophobicContact CE1-CB 4.15Å; Y296-P298 WeakPolarHBondContact O-CD 3.43Å; P298-Q300 PolarHBondContact O-N 3.12Å; P298-Q300 PolarHBondContact O-NE2 2.88Å; P298-L309 HydrophobicContact CG-CD2 4.04Å
299P95.1Very high94.3Very high24 Ų2440.6 Ų40.616%0.15622%0.221CC..SBendtrans-54.6125.8169.8-25.436.1000110.9L310 D312 N496P299-L310 HydrophobicContact CB-CB 4.09Å; P299-L310 WeakPolarHBondContact O-CB 3.36Å; P299-L310 PolarHBondContact O-N 2.87Å; P299-D312 HydrophobicContact CG-CB 4.37Å; P299-N496 WeakPolarHBondContact CD-ND2 3.1Å
300Q94.9Very high94.2Very high20 Ų2042.6 Ų42.69%0.09324%0.235CC..EExtended strand (participates in β ladder)trans-153.8147.8-173.965.8-165.8-78.800111.3M271 P298 E308 L309M271-Q300 PolarHBondContact O-NE2 2.74Å; M271-Q300 PolarHBondContact O-OE1 3.31Å; P298-Q300 PolarHBondContact O-N 3.12Å; P298-Q300 PolarHBondContact O-NE2 2.88Å; Q300-E308 CarbonylContact C-O 3.33Å; Q300-E308 VanDerWaalsContact CA-O 3.29Å; Q300-E308 WeakPolarHBondContact CA-O 3.39Å; Q300-E308 WeakPolarHBondContact CB-O 3.39Å; Q300-L309 HydrophobicContact CB-CD2 4.16Å
301S93.8Very high94Very high60 Ų6051.5 Ų51.542%0.4228%0.276SS..EExtended strand (participates in β ladder)trans-102.2112.7169.4-177.70000108.3E308S301-E308 PolarHBondContact N-O 3.48Å; S301-E308 PolarHBondContact O-N 3.38Å
302A91.5Very high93.8Very high20 Ų2051.8 Ų51.817%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-122.6135.3-175.900000111.8Q269Q269-A302 WeakPolarHBondContact O-CB 3.46Å
303T91.3Very high93.4Very high61 Ų6157.3 Ų57.337%0.37432%0.315SS..  trans-117.5-173.4172.576.70000109.4Q269 N305 S306Q269-T303 PolarHBondContact N-O 3.49Å; T303-N305 PolarHBondContact O-N 2.92Å; T303-N305 PolarHBondContact OG1-N 2.86Å; T303-S306 PolarHBondContact N-O 3.29Å; T303-S306 PolarHBondContact OG1-N 3.34Å; T303-S306 PolarHBondContact OG1-O 2.7Å; T303-S306 PolarHBondContact OG1-OG 3.2Å
304Q89.1Confident93.1Very high123 Ų12360.7 Ų60.758%0.57533%0.328SS*.SBendtrans-66.9-26.8174.5-63.6-176.2-9.700112.7Q269Q269-Q304 WeakPolarHBondContact CG-O 3.39Å; Q269-Q304 PolarHBondContact NE2-O 2.71Å
305N87.4Confident92.9Very high143 Ų14361.7 Ų61.777%0.76534%0.337SS*.SBendtrans-126.6-6.5-169.4-61.3-3.5000113.8T303T303-N305 PolarHBondContact O-N 2.92Å; T303-N305 PolarHBondContact OG1-N 2.86Å
306S89.3Confident92.7Very high64 Ų6464.8 Ų64.845%0.44836%0.364SS..  trans-141148.9-176.373.10000111T303T303-S306 PolarHBondContact N-O 3.29Å; T303-S306 PolarHBondContact OG1-N 3.34Å; T303-S306 PolarHBondContact OG1-O 2.7Å; T303-S306 PolarHBondContact OG1-OG 3.2Å
307L93Very high92.4Very high58 Ų5865.7 Ų65.730%0.30437%0.372SS..EExtended strand (participates in β ladder)trans-136.8124.5176.7-171.1141.4000109.2R270 M271 L309R270-L307 VanDerWaalsContact C-CD1 3.45Å; M271-L307 HydrophobicContact CB-CD1 3.5Å; M271-L307 VanDerWaalsContact CB-CD1 3.5Å; M271-L307 HydrophobicContact CB-CD2 3.71Å; M271-L307 HydrophobicContact CB-CG 4.22Å; M271-L307 HydrophobicContact CG-CD2 4.32Å; L307-L309 HydrophobicContact CD2-CD2 4Å; L307-L309 HydrophobicContact CD2-CG 4.1Å
308E93.9Very high92.3Very high124 Ų12465.6 Ų65.658%0.57937%0.371SS*.EExtended strand (participates in β ladder)trans-123.4126177.6-176.2178.8-170.800109.2Q300 S301Q300-E308 CarbonylContact C-O 3.33Å; Q300-E308 VanDerWaalsContact CA-O 3.29Å; Q300-E308 WeakPolarHBondContact CA-O 3.39Å; Q300-E308 WeakPolarHBondContact CB-O 3.39Å; S301-E308 PolarHBondContact N-O 3.48Å; S301-E308 PolarHBondContact O-N 3.38Å
309L93.5Very high92.3Very high60 Ų6068.3 Ų68.331%0.31439%0.386SS..EExtended strand (participates in β ladder)trans-85.8131.6176.6-64.3171.2000109.6M271 P298 Q300 L307 F369M271-L309 HydrophobicContact CB-CD2 4.38Å; M271-L309 HydrophobicContact CE-CD1 3.61Å; M271-L309 HydrophobicContact CE-CD2 3.79Å; M271-L309 HydrophobicContact CE-CG 4.36Å; M271-L309 HydrophobicContact CG-CD2 4.13Å; M271-L309 HydrophobicContact SD-CD1 4.48Å; M271-L309 HydrophobicContact SD-CD2 3.56Å; M271-L309 VanDerWaalsContact SD-CD2 3.56Å; P298-L309 HydrophobicContact CG-CD2 4.04Å; Q300-L309 HydrophobicContact CB-CD2 4.16Å; L307-L309 HydrophobicContact CD2-CD2 4Å; L307-L309 HydrophobicContact CD2-CG 4.1Å; L309-F369 HydrophobicContact CD1-CE2 4.38Å; L309-F369 HydrophobicContact CD1-CZ 3.58Å
310L95Very high92.2Very high90 Ų9069.7 Ų69.747%0.47139%0.39SS..PPolyproline II helixtrans-95.9164.2175.5-55.6176.2000109.6P299 D312P299-L310 HydrophobicContact CB-CB 4.09Å; P299-L310 WeakPolarHBondContact O-CB 3.36Å; P299-L310 PolarHBondContact O-N 2.87Å; L310-D312 PolarHBondContact O-N 3.08Å
311E92.6Very high92.1Very high186 Ų18669 Ų6987%0.86939%0.387SS*.PPolyproline II helixtrans-63.8129.7175-172.2173.1-17300110.2P313E311-P313 VanDerWaalsContact O-CD 3.28Å; E311-P313 WeakPolarHBondContact O-CD 3.42Å
312D92.9Very high92.1Very high28 Ų2866.1 Ų66.115%0.1537%0.367CS..  trans-103102.4-179.1-177.84.7000110.7Y296 P299 L310 K314 A315Y296-D312 VanDerWaalsContact CE1-OD2 3.31Å; Y296-D312 WeakPolarHBondContact CE1-OD2 3.47Å; Y296-D312 PolarHBondContact OH-OD2 2.83Å; P299-D312 HydrophobicContact CG-CB 4.37Å; L310-D312 PolarHBondContact O-N 3.08Å; D312-K314 PolarHBondContact O-N 2.95Å; D312-K314 WeakPolarHBondContact OD1-CA 3.3Å; D312-K314 WeakPolarHBondContact OD1-CB 3.23Å; D312-K314 PolarHBondContact OD1-N 3.48Å; D312-A315 HydrophobicContact CB-CB 4Å; D312-A315 PolarHBondContact O-N 2.99Å; D312-A315 PolarHBondContact OD1-N 3.45Å; D312-A315 WeakPolarHBondContact OD2-CA 3.5Å; D312-A315 WeakPolarHBondContact OD2-CB 3.45Å; D312-A315 PolarHBondContact OD2-N 3.42Å
313P90.8Very high92.2Very high117 Ų11768.1 Ų68.176%0.7638%0.383SS*.THydrogen-bonded Turntrans-68.1-19.3177.728.2-34.3000112.8E311E311-P313 VanDerWaalsContact O-CD 3.28Å; E311-P313 WeakPolarHBondContact O-CD 3.42Å
314K90.1Very high92.2Very high74 Ų7468.7 Ų68.732%0.32238%0.381SS..THydrogen-bonded Turntrans-94.1-11-176-64.9174.5178.5-176.30112.7D312 A316 A317 V318 T536D312-K314 PolarHBondContact O-N 2.95Å; D312-K314 WeakPolarHBondContact OD1-CA 3.3Å; D312-K314 WeakPolarHBondContact OD1-CB 3.23Å; D312-K314 PolarHBondContact OD1-N 3.48Å; K314-A316 VanDerWaalsContact C-N 3.32Å; K314-A316 PolarHBondContact O-N 3.26Å; K314-A316 VanDerWaalsContact O-N 3.16Å; K314-A317 WeakPolarHBondContact O-CB 3.33Å; K314-A317 PolarHBondContact O-N 3.48Å; K314-V318 WeakPolarHBondContact O-CG2 3.35Å; K314-V318 PolarHBondContact O-N 2.8Å; K314-T536 HydrophobicContact CB-CG2 4.16Å; K314-T536 HydrophobicContact CD-CG2 4.02Å; K314-T536 HydrophobicContact CG-CG2 4.14Å
315A91.9Very high92.4Very high28 Ų2863.1 Ų63.123%0.23136%0.355CS..Hα-helixtrans-48.3-47.6-174.600000114.1D312 A317 V318 D319D312-A315 HydrophobicContact CB-CB 4Å; D312-A315 PolarHBondContact O-N 2.99Å; D312-A315 PolarHBondContact OD1-N 3.45Å; D312-A315 WeakPolarHBondContact OD2-CA 3.5Å; D312-A315 WeakPolarHBondContact OD2-CB 3.45Å; D312-A315 PolarHBondContact OD2-N 3.42Å; A315-A317 VanDerWaalsContact C-N 3.33Å; A315-A317 PolarHBondContact O-N 3.06Å; A315-V318 WeakPolarHBondContact O-CB 3.45Å; A315-V318 PolarHBondContact O-N 2.96Å; A315-D319 PolarHBondContact O-N 2.65Å
316A92.5Very high92.7Very high74 Ų7457.7 Ų57.761%0.61233%0.333SS*.Hα-helixtrans-64.1-35.6-179.400000113.2K314 E320K314-A316 VanDerWaalsContact C-N 3.32Å; K314-A316 PolarHBondContact O-N 3.26Å; K314-A316 VanDerWaalsContact O-N 3.16Å; A316-E320 PolarHBondContact O-N 2.89Å; A316-E320 VanDerWaalsContact O-N 3.16Å
317A91.6Very high93Very high21 Ų2154.9 Ų54.917%0.17431%0.313CS..Hα-helixtrans-70.9-39.9175.600000111K314 A315 E320 I321 T536K314-A317 WeakPolarHBondContact O-CB 3.33Å; K314-A317 PolarHBondContact O-N 3.48Å; A315-A317 VanDerWaalsContact C-N 3.33Å; A315-A317 PolarHBondContact O-N 3.06Å; A317-E320 PolarHBondContact O-N 3.25Å; A317-I321 WeakPolarHBondContact O-CD1 3.42Å; A317-I321 WeakPolarHBondContact O-CG1 3.31Å; A317-I321 PolarHBondContact O-N 3.5Å; A317-T536 HydrophobicContact CB-CG2 4.42Å
318V93.6Very high93.1Very high0 Ų054.6 Ų54.60%032%0.315CS..Hα-helixtrans-59.2-49.9175.7-174.50000110.2Y275 Y296 K314 A315 E320 I321 A322 F528 L532Y275-V318 HydrophobicContact CE1-CG1 4.31Å; Y275-V318 HydrophobicContact CE2-CG1 3.89Å; Y275-V318 VanDerWaalsContact OH-CG1 3.29Å; Y275-V318 WeakPolarHBondContact OH-CG1 3.11Å; Y296-V318 HydrophobicContact CD1-CG1 4.18Å; Y296-V318 HydrophobicContact CD1-CG2 4.49Å; Y296-V318 HydrophobicContact CD2-CG1 4.27Å; Y296-V318 HydrophobicContact CD2-CG2 4.44Å; Y296-V318 HydrophobicContact CE1-CG2 4.01Å; Y296-V318 HydrophobicContact CE2-CG2 3.98Å; Y296-V318 HydrophobicContact CG-CG1 4.05Å; K314-V318 WeakPolarHBondContact O-CG2 3.35Å; K314-V318 PolarHBondContact O-N 2.8Å; A315-V318 WeakPolarHBondContact O-CB 3.45Å; A315-V318 PolarHBondContact O-N 2.96Å; V318-E320 VanDerWaalsContact C-N 3.3Å; V318-E320 PolarHBondContact O-N 3.28Å; V318-I321 PolarHBondContact O-N 3.19Å; V318-A322 WeakPolarHBondContact O-CB 3.37Å; V318-A322 PolarHBondContact O-N 3.32Å; V318-F528 HydrophobicContact CG1-CZ 4.15Å; V318-L532 HydrophobicContact CB-CD1 4.12Å; V318-L532 HydrophobicContact CG1-CD1 4.36Å; V318-L532 HydrophobicContact CG1-CD2 4.35Å; V318-L532 HydrophobicContact CG2-CD1 3.51Å; V318-L532 HydrophobicContact CG2-CD2 3.81Å; V318-L532 HydrophobicContact CG2-CG 4.31Å
319D94.1Very high93.3Very high59 Ų5950.1 Ų50.132%0.31629%0.294SS..Hα-helixtrans-61.2-38.1-179.9-79.7-37.7000111.8Y275 A315 A323 K329Y275-D319 WeakPolarHBondContact CE1-OD1 3.38Å; Y275-D319 PolarHBondContact OH-OD1 3.14Å; A315-D319 PolarHBondContact O-N 2.65Å; D319-A323 WeakPolarHBondContact O-CB 3.35Å; D319-A323 PolarHBondContact O-N 3.34Å; D319-K329 WeakPolarHBondContact OD1-CE 3.26Å; D319-K329 IonicContact OD1-NZ 2.66Å; D319-K329 PolarHBondContact OD1-NZ 3.48Å; D319-K329 VanDerWaalsContact OD1-NZ 3.08Å; D319-K329 IonicContact OD2-NZ 2.83Å; D319-K329 PolarHBondContact OD2-NZ 2.79Å
320E93.1Very high93.5Very high54 Ų5447.2 Ų47.225%0.25228%0.279SS..Hα-helixtrans-67.1-46176.4-171.9-163.9159.700112.6A316 A317 V318 A323 K324 R543A316-E320 PolarHBondContact O-N 2.89Å; A316-E320 VanDerWaalsContact O-N 3.16Å; A317-E320 PolarHBondContact O-N 3.25Å; V318-E320 VanDerWaalsContact C-N 3.3Å; V318-E320 PolarHBondContact O-N 3.28Å; E320-A323 PolarHBondContact O-N 3.01Å; E320-K324 PolarHBondContact O-N 3.25Å; E320-K324 VanDerWaalsContact OE1-CE 3.22Å; E320-K324 WeakPolarHBondContact OE1-CE 3.39Å; E320-K324 IonicContact OE1-NZ 3.92Å; E320-K324 PolarHBondContact OE1-NZ 3.05Å; E320-R543 IonicContact OE2-CZ 3.96Å; E320-R543 IonicContact OE2-NE 3.91Å; E320-R543 PolarHBondContact OE2-NE 3.19Å; E320-R543 IonicContact OE2-NH2 3.7Å; E320-R543 PolarHBondContact OE2-NH2 3.16Å
321I92.2Very high93.6Very high4 Ų443 Ų432%0.02126%0.256CS..Hα-helixtrans-64.4-45.2179.6-64160.6000109.8A317 V318 A323 K324 L325 L532 V535 L550A317-I321 WeakPolarHBondContact O-CD1 3.42Å; A317-I321 WeakPolarHBondContact O-CG1 3.31Å; A317-I321 PolarHBondContact O-N 3.5Å; V318-I321 PolarHBondContact O-N 3.19Å; I321-A323 VanDerWaalsContact C-N 3.31Å; I321-A323 PolarHBondContact O-N 2.93Å; I321-K324 PolarHBondContact O-N 2.66Å; I321-L325 HydrophobicContact CG2-CD1 4.07Å; I321-L325 WeakPolarHBondContact O-CG 3.48Å; I321-L325 PolarHBondContact O-N 2.84Å; I321-L532 HydrophobicContact CD1-CD1 3.75Å; I321-V535 HydrophobicContact CD1-CB 3.44Å; I321-V535 VanDerWaalsContact CD1-CB 3.44Å; I321-V535 HydrophobicContact CD1-CG1 3.59Å; I321-V535 HydrophobicContact CD1-CG2 3.56Å; I321-V535 HydrophobicContact CG1-CB 4.33Å; I321-V535 HydrophobicContact CG1-CG1 4.19Å; I321-V535 HydrophobicContact CG1-CG2 4.06Å; I321-L550 HydrophobicContact CG2-CD1 4.1Å; I321-L550 HydrophobicContact CG2-CD2 3.87Å
322A94.4Very high93.9Very high0 Ų034.6 Ų34.60%022%0.217CC..Hα-helixtrans-55.9-47.7174.700000110.6Y275 V318 K324 L325 G326 L327Y275-A322 HydrophobicContact CD1-CB 3.45Å; Y275-A322 VanDerWaalsContact CD1-CB 3.45Å; Y275-A322 HydrophobicContact CE1-CB 3.63Å; Y275-A322 HydrophobicContact CG-CB 4.43Å; V318-A322 WeakPolarHBondContact O-CB 3.37Å; V318-A322 PolarHBondContact O-N 3.32Å; A322-K324 VanDerWaalsContact C-N 3.34Å; A322-K324 PolarHBondContact O-N 3.29Å; A322-L325 CarbonylContact O-C 3.48Å; A322-L325 WeakPolarHBondContact O-CA 3.34Å; A322-L325 WeakPolarHBondContact O-CB 3.26Å; A322-L325 PolarHBondContact O-N 2.85Å; A322-L325 VanDerWaalsContact O-N 3.11Å; A322-G326 PolarHBondContact O-N 3Å; A322-G326 VanDerWaalsContact O-N 3.1Å; A322-L327 CarbonylContact C-O 3.57Å; A322-L327 HydrophobicContact CB-CB 4.18Å; A322-L327 CarbonylContact O-C 3.55Å; A322-L327 WeakPolarHBondContact O-CA 3.42Å; A322-L327 PolarHBondContact O-N 2.8Å
323A93.8Very high94.2Very high62 Ų6233.2 Ų33.251%0.51221%0.209SC..Hα-helixtrans-59.8-41177.700000112.7D319 E320 I321 L325 G326 L327D319-A323 WeakPolarHBondContact O-CB 3.35Å; D319-A323 PolarHBondContact O-N 3.34Å; E320-A323 PolarHBondContact O-N 3.01Å; I321-A323 VanDerWaalsContact C-N 3.31Å; I321-A323 PolarHBondContact O-N 2.93Å; A323-L325 PolarHBondContact O-N 3.41Å; A323-G326 PolarHBondContact O-N 3.41Å; A323-L327 WeakPolarHBondContact CA-O 3.06Å; A323-L327 PolarHBondContact N-O 3.01Å
324K92.1Very high94.5Very high73 Ų7328.3 Ų28.332%0.31718%0.176SC..Hα-helixtrans-62-42.2174.8-73.7178.9-173.91680111.6E320 I321 A322 G326 L550 K554E320-K324 PolarHBondContact O-N 3.25Å; E320-K324 VanDerWaalsContact OE1-CE 3.22Å; E320-K324 WeakPolarHBondContact OE1-CE 3.39Å; E320-K324 IonicContact OE1-NZ 3.92Å; E320-K324 PolarHBondContact OE1-NZ 3.05Å; I321-K324 PolarHBondContact O-N 2.66Å; A322-K324 VanDerWaalsContact C-N 3.34Å; A322-K324 PolarHBondContact O-N 3.29Å; K324-G326 PolarHBondContact O-N 2.81Å; K324-G326 VanDerWaalsContact O-N 3.14Å; K324-L550 HydrophobicContact CB-CD1 3.8Å; K324-L550 HydrophobicContact CD-CD1 3.78Å; K324-L550 HydrophobicContact CG-CD1 4.42Å; K324-K554 WeakPolarHBondContact O-CD 3.47Å; K324-K554 PolarHBondContact O-NZ 2.82Å
325L92.9Very high94.8Very high6 Ų625 Ų253%0.03116%0.162CC..Hα-helixtrans-66.9-7.3172.9-67.6169.4000113.5I321 A322 A323 L327 F486 F528 L531 L550 V553I321-L325 HydrophobicContact CG2-CD1 4.07Å; I321-L325 WeakPolarHBondContact O-CG 3.48Å; I321-L325 PolarHBondContact O-N 2.84Å; A322-L325 CarbonylContact O-C 3.48Å; A322-L325 WeakPolarHBondContact O-CA 3.34Å; A322-L325 WeakPolarHBondContact O-CB 3.26Å; A322-L325 PolarHBondContact O-N 2.85Å; A322-L325 VanDerWaalsContact O-N 3.11Å; A323-L325 PolarHBondContact O-N 3.41Å; L325-L327 VanDerWaalsContact C-N 3.35Å; L325-L327 HydrophobicContact CB-CD1 4.41Å; L325-L327 HydrophobicContact CB-CG 4.3Å; L325-F486 HydrophobicContact CD1-CE1 4.23Å; L325-F486 HydrophobicContact CD1-CZ 4.17Å; L325-F528 HydrophobicContact CD1-CD2 4.35Å; L325-L531 HydrophobicContact CD1-CD1 4.15Å; L325-L531 HydrophobicContact CD2-CD1 4.37Å; L325-L550 HydrophobicContact CD1-CD2 4.32Å; L325-L550 HydrophobicContact CD2-CB 4.06Å; L325-L550 HydrophobicContact CD2-CD2 3.92Å; L325-L550 HydrophobicContact CG-CD2 4.08Å; L325-V553 HydrophobicContact CD2-CB 4.24Å; L325-V553 HydrophobicContact CD2-CG1 4.18Å
326G93.4Very high94.9Very high30 Ų3025.4 Ų25.431%0.30916%0.16SC..THydrogen-bonded Turntrans79.220.7-176.600000113.4A322 A323 K324A322-G326 PolarHBondContact O-N 3Å; A322-G326 VanDerWaalsContact O-N 3.1Å; A323-G326 PolarHBondContact O-N 3.41Å; K324-G326 PolarHBondContact O-N 2.81Å; K324-G326 VanDerWaalsContact O-N 3.14Å
327L95.8Very high95Very high5 Ų522 Ų223%0.02613%0.132CC..  trans-104.1152.7174.3-56.5177000109.9G276 A293 A322 A323 L325 F486G276-L327 CarbonylContact O-C 3.54Å; G276-L327 VanDerWaalsContact O-CA 3.23Å; G276-L327 WeakPolarHBondContact O-CA 3.39Å; A293-L327 HydrophobicContact CB-CD1 4.18Å; A293-L327 HydrophobicContact CB-CD2 3.92Å; A322-L327 CarbonylContact C-O 3.57Å; A322-L327 HydrophobicContact CB-CB 4.18Å; A322-L327 CarbonylContact O-C 3.55Å; A322-L327 WeakPolarHBondContact O-CA 3.42Å; A322-L327 PolarHBondContact O-N 2.8Å; A323-L327 WeakPolarHBondContact CA-O 3.06Å; A323-L327 PolarHBondContact N-O 3.01Å; L325-L327 VanDerWaalsContact C-N 3.35Å; L325-L327 HydrophobicContact CB-CD1 4.41Å; L325-L327 HydrophobicContact CB-CG 4.3Å; L327-F486 HydrophobicContact CD1-CE2 3.96Å; L327-F486 HydrophobicContact CD1-CZ 3.81Å
328C95.8Very high95Very high52 Ų5223.9 Ų23.935%0.35114%0.139SC..EExtended strand (participates in β ladder)trans-132.2162.517061.80000109.8Y275 G276 V330Y275-C328 WeakPolarHBondContact CA-O 3.43Å; G276-C328 PolarHBondContact N-O 3.42Å; G276-C328 PolarHBondContact O-N 3.04Å; C328-V330 PolarHBondContact O-N 2.82Å; C328-V330 VanDerWaalsContact O-N 3.14Å
329K97.2Very high94.8Very high29 Ų2926.1 Ų26.113%0.12616%0.155CC..EExtended strand (participates in β ladder)trans-72.2105.5173.8-159.4-177-70.8156.30108.6Y273 L274 Y275 D319 F389Y273-K329 HydrophobicContact CD1-CD 3.85Å; Y273-K329 HydrophobicContact CD1-CG 4.37Å; Y273-K329 HydrophobicContact CE1-CD 4.37Å; Y273-K329 HydrophobicContact CG-CD 4.11Å; L274-K329 CarbonylContact O-C 3.49Å; L274-K329 WeakPolarHBondContact O-CA 3.46Å; Y275-K329 HydrophobicContact CD1-CB 4.39Å; Y275-K329 HydrophobicContact CE1-CB 4.02Å; Y275-K329 HydrophobicContact CE1-CG 4.36Å; Y275-K329 WeakPolarHBondContact OH-CE 3.44Å; D319-K329 WeakPolarHBondContact OD1-CE 3.26Å; D319-K329 IonicContact OD1-NZ 2.66Å; D319-K329 PolarHBondContact OD1-NZ 3.48Å; D319-K329 VanDerWaalsContact OD1-NZ 3.08Å; D319-K329 IonicContact OD2-NZ 2.83Å; D319-K329 PolarHBondContact OD2-NZ 2.79Å; K329-F389 HydrophobicContact CD-CE2 4.07Å; K329-F389 HydrophobicContact CG-CE2 3.93Å
330V97.8Very high94.4Very high0 Ų028.1 Ų28.10%016%0.162CC..EExtended strand (participates in β ladder)trans-93-20.2-174.9-64.60000112.7L274 Y278 A290 V292 C328 F389 V390L274-V330 HydrophobicContact CB-CG2 3.81Å; L274-V330 WeakPolarHBondContact O-CG2 3.24Å; L274-V330 PolarHBondContact O-N 2.82Å; Y278-V330 HydrophobicContact CD1-CG1 4.47Å; Y278-V330 HydrophobicContact CD2-CG1 4.48Å; Y278-V330 HydrophobicContact CE1-CB 4.18Å; Y278-V330 HydrophobicContact CE1-CG1 4.04Å; Y278-V330 HydrophobicContact CE2-CG1 4.05Å; Y278-V330 WeakPolarHBondContact OH-CA 3.19Å; Y278-V330 PolarHBondContact OH-O 3.06Å; A290-V330 HydrophobicContact CB-CB 4.32Å; V292-V330 HydrophobicContact CG2-CG2 4.16Å; C328-V330 PolarHBondContact O-N 2.82Å; C328-V330 VanDerWaalsContact O-N 3.14Å; V330-F389 WeakPolarHBondContact O-CA 3.47Å; V330-V390 WeakPolarHBondContact O-CG2 3.34Å; V330-V390 PolarHBondContact O-N 3.47Å
331G98Very high93.9Very high0 Ų028.4 Ų28.40%017%0.165CC..EExtended strand (participates in β ladder)trans178.5-164.5-178.200000113.2L274 F389 V390L274-G331 PolarHBondContact N-O 3.23Å; L274-G331 PolarHBondContact O-N 3.02Å; G331-F389 WeakPolarHBondContact O-CZ 3.12Å; G331-V390 CarbonylContact C-O 3.46Å; G331-V390 WeakPolarHBondContact CA-O 3.25Å
332W98.3Very high93.2Very high10 Ų1034.1 Ų34.14%0.03820%0.2CC..EExtended strand (participates in β ladder)trans-136.6156.417271.6-56.4000110.1M271 G272 Y273 F334 T365 F369 F389 V390 T391 V392M271-W332 HydrophobicContact CE-CB 4.19Å; M271-W332 HydrophobicContact CE-CE3 3.9Å; M271-W332 HydrophobicContact CG-CE3 3.67Å; M271-W332 HydrophobicContact CG-CZ3 4.08Å; G272-W332 CarbonylContact O-C 3.58Å; G272-W332 VanDerWaalsContact O-CA 3.3Å; G272-W332 WeakPolarHBondContact O-CA 3.45Å; Y273-W332 HydrophobicContact CD1-CB 4.09Å; Y273-W332 HydrophobicContact CE1-CB 4.44Å; W332-F334 HydrophobicContact CD2-CD1 4.3Å; W332-F334 HydrophobicContact CE3-CB 4.35Å; W332-F334 AromaticContact CE3-CD1 3.78Å; W332-F334 HydrophobicContact CE3-CD1 3.78Å; W332-F334 HydrophobicContact CE3-CG 4.48Å; W332-F334 AromaticContact CH2-CD1 3.22Å; W332-F334 HydrophobicContact CH2-CD1 3.22Å; W332-F334 AromaticContact CH2-CE1 3.38Å; W332-F334 HydrophobicContact CH2-CE1 3.38Å; W332-F334 HydrophobicContact CH2-CG 4.07Å; W332-F334 HydrophobicContact CH2-CZ 4.33Å; W332-F334 AromaticContact CZ2-CD1 3.79Å; W332-F334 HydrophobicContact CZ2-CD1 3.79Å; W332-F334 AromaticContact CZ2-CE1 3.66Å; W332-F334 HydrophobicContact CZ2-CE1 3.66Å; W332-F334 HydrophobicContact CZ3-CB 3.92Å; W332-F334 AromaticContact CZ3-CD1 3.22Å; W332-F334 HydrophobicContact CZ3-CD1 3.22Å; W332-F334 AromaticContact CZ3-CE1 3.91Å; W332-F334 HydrophobicContact CZ3-CE1 3.91Å; W332-F334 AromaticContact CZ3-CG 3.8Å; W332-F334 HydrophobicContact CZ3-CG 3.8Å; W332-T365 HydrophobicContact CH2-CG2 3.98Å; W332-T365 HydrophobicContact CZ2-CG2 4.17Å; W332-F369 AromaticContact CD1-CD2 4Å; W332-F369 AromaticContact CD2-CD2 3.92Å; W332-F369 HydrophobicContact CD2-CD2 3.92Å; W332-F369 AromaticContact CD2-CE2 3.79Å; W332-F369 HydrophobicContact CD2-CE2 3.79Å; W332-F369 AromaticContact CE2-CD2 3.85Å; W332-F369 AromaticContact CE3-CE2 3.98Å; W332-F369 HydrophobicContact CE3-CE2 3.98Å; W332-F369 HydrophobicContact CG-CD2 4Å; W332-F369 HydrophobicContact CG-CE2 4.17Å; W332-F369 HydrophobicContact CZ2-CD2 4.44Å; W332-F369 HydrophobicContact CZ2-CE2 4.45Å; W332-F369 HydrophobicContact CZ3-CE2 4.38Å; W332-F369 AromaticContact NE1-CD2 3.87Å; W332-F389 HydrophobicContact CB-CE1 4.19Å; W332-F389 HydrophobicContact CB-CZ 4.16Å; W332-F389 AromaticContact CD1-CE1 3.43Å; W332-F389 VanDerWaalsContact CD1-CE1 3.43Å; W332-F389 HydrophobicContact CG-CE1 4.07Å; W332-V390 PolarHBondContact N-O 3.22Å; W332-T391 HydrophobicContact CZ2-CG2 3.72Å; W332-T391 PolarHBondContact NE1-OG1 2.87Å; W332-V392 PolarHBondContact O-N 3.49Å
333I98.3Very high92.5Very high0 Ų045.3 Ų45.30%024%0.243CC..EExtended strand (participates in β ladder)trans-128.7141.7176.3-177.7168.4000109.4F250 F259 M271 G272 L274 I295 V392 F404F250-I333 HydrophobicContact CZ-CD1 4.15Å; F259-I333 HydrophobicContact CD1-CD1 3.95Å; F259-I333 HydrophobicContact CD1-CG1 4.35Å; F259-I333 HydrophobicContact CD1-CG2 4.37Å; F259-I333 HydrophobicContact CE1-CB 4.44Å; F259-I333 HydrophobicContact CE1-CD1 3.85Å; F259-I333 HydrophobicContact CE1-CG1 3.74Å; F259-I333 HydrophobicContact CE1-CG2 3.93Å; F259-I333 HydrophobicContact CE2-CG2 4.19Å; F259-I333 HydrophobicContact CZ-CG1 4.3Å; F259-I333 HydrophobicContact CZ-CG2 3.83Å; M271-I333 CarbonylContact C-O 3.53Å; M271-I333 VanDerWaalsContact CA-O 3.23Å; M271-I333 WeakPolarHBondContact CA-O 3.33Å; M271-I333 WeakPolarHBondContact CG-O 3.09Å; G272-I333 PolarHBondContact N-O 3.36Å; G272-I333 PolarHBondContact O-N 2.76Å; L274-I333 HydrophobicContact CD1-CB 4.49Å; L274-I333 HydrophobicContact CD2-CB 3.82Å; L274-I333 HydrophobicContact CD2-CG2 3.48Å; L274-I333 VanDerWaalsContact CD2-CG2 3.48Å; L274-I333 HydrophobicContact CG-CB 4.31Å; L274-I333 HydrophobicContact CG-CG2 4.27Å; I295-I333 HydrophobicContact CD1-CG2 4.25Å; I295-I333 HydrophobicContact CG2-CG2 3.96Å; I333-V392 CarbonylContact C-O 3.53Å; I333-V392 VanDerWaalsContact CA-O 3.22Å; I333-V392 WeakPolarHBondContact CA-O 3.4Å; I333-V392 HydrophobicContact CB-CB 4.04Å; I333-V392 HydrophobicContact CD1-CB 4.32Å; I333-V392 HydrophobicContact CD1-CG1 3.85Å; I333-V392 HydrophobicContact CG1-CB 4Å; I333-V392 HydrophobicContact CG1-CG1 3.97Å; I333-F404 HydrophobicContact CD1-CD1 3.83Å; I333-F404 HydrophobicContact CD1-CE1 3.81Å
334F97.5Very high91.9Very high14 Ų1448.3 Ų48.36%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-138156.6168.265.6-83.7000111.3R270 M271 W332 L358 E362 T391 V392 V393 A394R270-F334 CarbonylContact O-C 3.58Å; R270-F334 WeakPolarHBondContact O-CA 3.23Å; M271-F334 HydrophobicContact CB-CB 4.22Å; M271-F334 HydrophobicContact CG-CB 4.43Å; W332-F334 HydrophobicContact CD2-CD1 4.3Å; W332-F334 HydrophobicContact CE3-CB 4.35Å; W332-F334 AromaticContact CE3-CD1 3.78Å; W332-F334 HydrophobicContact CE3-CD1 3.78Å; W332-F334 HydrophobicContact CE3-CG 4.48Å; W332-F334 AromaticContact CH2-CD1 3.22Å; W332-F334 HydrophobicContact CH2-CD1 3.22Å; W332-F334 AromaticContact CH2-CE1 3.38Å; W332-F334 HydrophobicContact CH2-CE1 3.38Å; W332-F334 HydrophobicContact CH2-CG 4.07Å; W332-F334 HydrophobicContact CH2-CZ 4.33Å; W332-F334 AromaticContact CZ2-CD1 3.79Å; W332-F334 HydrophobicContact CZ2-CD1 3.79Å; W332-F334 AromaticContact CZ2-CE1 3.66Å; W332-F334 HydrophobicContact CZ2-CE1 3.66Å; W332-F334 HydrophobicContact CZ3-CB 3.92Å; W332-F334 AromaticContact CZ3-CD1 3.22Å; W332-F334 HydrophobicContact CZ3-CD1 3.22Å; W332-F334 AromaticContact CZ3-CE1 3.91Å; W332-F334 HydrophobicContact CZ3-CE1 3.91Å; W332-F334 AromaticContact CZ3-CG 3.8Å; W332-F334 HydrophobicContact CZ3-CG 3.8Å; F334-L358 HydrophobicContact CZ-CD2 4.26Å; F334-E362 HydrophobicContact CE1-CG 4.49Å; F334-E362 HydrophobicContact CE2-CG 4.04Å; F334-E362 WeakPolarHBondContact CE2-OE1 3.35Å; F334-E362 HydrophobicContact CZ-CB 4.23Å; F334-E362 VanDerWaalsContact CZ-CD 3.49Å; F334-E362 HydrophobicContact CZ-CG 3.66Å; F334-T391 HydrophobicContact CD1-CG2 4.49Å; F334-T391 HydrophobicContact CE1-CG2 3.79Å; F334-V392 PolarHBondContact N-O 2.82Å; F334-V393 HydrophobicContact CD2-CG1 4.4Å; F334-V393 HydrophobicContact CE1-CG2 3.69Å; F334-V393 HydrophobicContact CE2-CG1 3.81Å; F334-V393 HydrophobicContact CE2-CG2 4.15Å; F334-V393 HydrophobicContact CZ-CB 4.25Å; F334-V393 HydrophobicContact CZ-CG1 3.98Å; F334-V393 HydrophobicContact CZ-CG2 3.44Å; F334-V393 VanDerWaalsContact CZ-CG2 3.44Å; F334-A394 PolarHBondContact O-N 2.85Å
335T96.6Very high91.4Very high5 Ų547.1 Ų47.13%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-95.4138.9176.465.90000110.8F259 L260 Q269 R270 L337 A394F259-T335 HydrophobicContact CD1-CG2 4.31Å; F259-T335 HydrophobicContact CE1-CG2 3.55Å; F259-T335 HydrophobicContact CZ-CG2 4.1Å; L260-T335 HydrophobicContact CD2-CG2 4.23Å; Q269-T335 WeakPolarHBondContact CA-OG1 3.3Å; Q269-T335 WeakPolarHBondContact CB-OG1 3.34Å; Q269-T335 PolarHBondContact OE1-O 3.24Å; Q269-T335 PolarHBondContact OE1-OG1 2.76Å; R270-T335 PolarHBondContact N-OG1 2.93Å; R270-T335 PolarHBondContact O-N 3.18Å; T335-L337 HydrophobicContact CG2-CD1 4.28Å; T335-A394 WeakPolarHBondContact CA-O 3.37Å; T335-A394 HydrophobicContact CG2-CB 4.15Å
336D94.4Very high91.2Very high35 Ų3547.8 Ų47.819%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-132.173.3163.5179.528.6000107.8R351 V393 A394 T395D336-R351 IonicContact OD2-CZ 3.41Å; D336-R351 IonicContact OD2-NE 3.88Å; D336-R351 PolarHBondContact OD2-NE 3.14Å; D336-R351 IonicContact OD2-NH2 2.66Å; D336-R351 PolarHBondContact OD2-NH2 3.34Å; D336-V393 HydrophobicContact CB-CG1 4.35Å; D336-A394 PolarHBondContact N-O 3.06Å; D336-T395 PolarHBondContact O-OG1 3.23Å
337L93.6Very high91.2Very high2 Ų246.4 Ų46.41%0.0125%0.247CC..  trans-113.7126.5-173.5-64.9172.6000110.3L260 W263 Q269 T335 V347 V402L260-L337 HydrophobicContact CD2-CD1 3.66Å; W263-L337 HydrophobicContact CD2-CB 3.84Å; W263-L337 HydrophobicContact CD2-CD1 3.82Å; W263-L337 HydrophobicContact CE3-CB 4.43Å; W263-L337 HydrophobicContact CE3-CD1 3.92Å; W263-L337 HydrophobicContact CG-CB 4.27Å; W263-L337 HydrophobicContact CG-CD1 4.1Å; W263-L337 HydrophobicContact CH2-CB 4.2Å; W263-L337 HydrophobicContact CZ2-CB 3.57Å; W263-L337 HydrophobicContact CZ3-CD1 4.42Å; W263-L337 PolarHBondContact NE1-O 3.26Å; Q269-L337 PolarHBondContact NE2-O 3.01Å; Q269-L337 VanDerWaalsContact OE1-N 3.12Å; T335-L337 HydrophobicContact CG2-CD1 4.28Å; L337-V347 HydrophobicContact CD2-CB 4.46Å; L337-V347 HydrophobicContact CD2-CG1 4.25Å; L337-V402 HydrophobicContact CD1-CG1 4.45Å; L337-V402 HydrophobicContact CD1-CG2 4.42Å; L337-V402 HydrophobicContact CD2-CG1 4.07Å; L337-V402 HydrophobicContact CD2-CG2 4.02Å
338L91.4Very high90.9Very high61 Ų6152.7 Ų52.732%0.31927%0.27SS..  trans-120.2122.3173.4-60.5-179.5000108.9E340 V347 R348 T350L338-E340 PolarHBondContact O-N 3.05Å; L338-V347 CarbonylContact O-C 3.56Å; L338-V347 WeakPolarHBondContact O-CA 3.31Å; L338-R348 HydrophobicContact CB-CB 4.3Å; L338-R348 HydrophobicContact CB-CG 4.42Å; L338-R348 PolarHBondContact O-N 3.16Å; L338-T350 HydrophobicContact CD1-CG2 3.9Å
339S89.3Confident90.8Very high48 Ų4854 Ų5434%0.33627%0.268SS..EExtended strand (participates in β ladder)trans-63.3128.1176.2-173.60000110.1T342S339-T342 PolarHBondContact OG-N 2.83Å; S339-T342 PolarHBondContact OG-OG1 3.19Å; S339-T342 VanDerWaalsContact OG-OG1 3.11Å
340E86.8Confident90.4Very high101 Ų10154.7 Ų54.747%0.47228%0.275SS..EExtended strand (participates in β ladder)trans-91.6-55.7170.5-174.4178-150.600110.3L338 T346 R348 N400L338-E340 PolarHBondContact O-N 3.05Å; E340-T346 PolarHBondContact N-O 3.41Å; E340-R348 HydrophobicContact CB-CG 3.77Å; E340-R348 HydrophobicContact CG-CG 4.24Å; E340-N400 PolarHBondContact OE2-ND2 3.15Å
341D82.3Confident90Very high60 Ų6054.9 Ų54.932%0.32128%0.276SS..EExtended strand (participates in β ladder)trans-131.7107.3171.8-171.3-14000110.4R343 I344 G345 T346D341-R343 PolarHBondContact O-N 3.03Å; D341-R343 VanDerWaalsContact O-N 3.14Å; D341-R343 WeakPolarHBondContact OD1-CB 3.48Å; D341-R343 PolarHBondContact OD1-N 2.83Å; D341-I344 HydrophobicContact CB-CB 4.43Å; D341-I344 HydrophobicContact CB-CD1 4.37Å; D341-I344 HydrophobicContact CB-CG1 4.39Å; D341-I344 PolarHBondContact O-N 3.32Å; D341-I344 WeakPolarHBondContact OD2-CD1 3.13Å; D341-G345 PolarHBondContact O-N 3.46Å; D341-T346 PolarHBondContact N-OG1 2.9Å; D341-T346 PolarHBondContact O-N 2.9Å
342T78.2Confident89.6Confident123 Ų12356.7 Ų56.776%0.75529%0.285SS*.THydrogen-bonded Turntrans-62.6-20.3179.8-45.30000113S339S339-T342 PolarHBondContact OG-N 2.83Å; S339-T342 PolarHBondContact OG-OG1 3.19Å; S339-T342 VanDerWaalsContact OG-OG1 3.11Å
343R79.7Confident89.1Confident236 Ų23664 Ų6489%0.89132%0.32SS*.THydrogen-bonded Turntrans-79.2-34.7179.2-61.4179.8177.2-177.90.3112.4D341D341-R343 PolarHBondContact O-N 3.03Å; D341-R343 VanDerWaalsContact O-N 3.14Å; D341-R343 WeakPolarHBondContact OD1-CB 3.48Å; D341-R343 PolarHBondContact OD1-N 2.83Å
344I81.4Confident88.5Confident125 Ų12571.5 Ų71.564%0.64136%0.36SS*.THydrogen-bonded Turntrans-92.4-25.6-178.9-52.8175.5000109.9D341 T346D341-I344 HydrophobicContact CB-CB 4.43Å; D341-I344 HydrophobicContact CB-CD1 4.37Å; D341-I344 HydrophobicContact CB-CG1 4.39Å; D341-I344 PolarHBondContact O-N 3.32Å; D341-I344 WeakPolarHBondContact OD2-CD1 3.13Å; I344-T346 HydrophobicContact CB-CG2 4.16Å; I344-T346 HydrophobicContact CG2-CG2 3.77Å
345G81.3Confident88Confident48 Ų4872.9 Ų72.950%0.49537%0.372SS..THydrogen-bonded Turntrans82.724.7-175.800000112.7D341D341-G345 PolarHBondContact O-N 3.46Å
346T88.6Confident87.8Confident20 Ų2074.9 Ų74.912%0.12338%0.38CS..EExtended strand (participates in β ladder)trans-83.1149.1177.856.10000111.5E340 D341 I344 N400E340-T346 PolarHBondContact N-O 3.41Å; D341-T346 PolarHBondContact N-OG1 2.9Å; D341-T346 PolarHBondContact O-N 2.9Å; I344-T346 HydrophobicContact CB-CG2 4.16Å; I344-T346 HydrophobicContact CG2-CG2 3.77Å; T346-N400 WeakPolarHBondContact CA-O 3.4Å
347V92.3Very high87.7Confident0 Ų077.1 Ų77.10%039%0.387CS..EExtended strand (participates in β ladder)trans-118.5147.6-179.9-670000110.5W263 L337 L338 G396 N400 Q401 V402W263-V347 HydrophobicContact CH2-CG1 3.72Å; W263-V347 HydrophobicContact CZ2-CG1 4.44Å; W263-V347 HydrophobicContact CZ3-CG1 4.26Å; L337-V347 HydrophobicContact CD2-CB 4.46Å; L337-V347 HydrophobicContact CD2-CG1 4.25Å; L338-V347 CarbonylContact O-C 3.56Å; L338-V347 WeakPolarHBondContact O-CA 3.31Å; V347-G396 VanDerWaalsContact CG2-CA 3.46Å; V347-N400 WeakPolarHBondContact CG2-O 3.46Å; V347-N400 PolarHBondContact N-O 2.83Å; V347-N400 VanDerWaalsContact O-CA 3.32Å; V347-N400 WeakPolarHBondContact O-CA 3.47Å; V347-N400 VanDerWaalsContact O-CB 3.32Å; V347-N400 WeakPolarHBondContact O-CB 3.45Å; V347-Q401 VanDerWaalsContact CG2-C 3.41Å; V347-Q401 WeakPolarHBondContact CG2-O 3.4Å; V347-V402 HydrophobicContact CG1-CG2 4.11Å; V347-V402 HydrophobicContact CG2-CG2 4.07Å
348R91.1Very high87.7Confident137 Ų13777 Ų7752%0.51739%0.386SS..  trans-72.1137.7-179.4-66.8-173.5176.2-174.5-0.9111.5L338 E340 T350L338-R348 HydrophobicContact CB-CB 4.3Å; L338-R348 HydrophobicContact CB-CG 4.42Å; L338-R348 PolarHBondContact O-N 3.16Å; E340-R348 HydrophobicContact CB-CG 3.77Å; E340-R348 HydrophobicContact CG-CG 4.24Å; R348-T350 HydrophobicContact CB-CG2 4.15Å; R348-T350 PolarHBondContact O-N 3.03Å; R348-T350 VanDerWaalsContact O-N 3.13Å
349Y92.1Very high87.9Confident80 Ų8074.7 Ų74.731%0.31438%0.375SS..  trans-8283.1170.8-172.8-150.8000111.5R351 N352 G396 G397 P398Y349-R351 WeakPolarHBondContact CE2-O 3.31Å; Y349-R351 PolarHBondContact OH-O 2.86Å; Y349-N352 HydrophobicContact CD1-CB 4.2Å; Y349-N352 HydrophobicContact CE1-CB 3.59Å; Y349-N352 HydrophobicContact CE2-CB 4.08Å; Y349-N352 PolarHBondContact O-ND2 2.96Å; Y349-G396 WeakPolarHBondContact CD2-O 3.37Å; Y349-G397 WeakPolarHBondContact CB-O 3.31Å; Y349-P398 HydrophobicContact CD1-CB 4.26Å; Y349-P398 HydrophobicContact CE1-CB 3.94Å
350T89.4Confident88.1Confident44 Ų4472.5 Ų72.527%0.2736%0.36SS..  trans-85.4-33.9-176.549.90000113.8L338 R348 S355L338-T350 HydrophobicContact CD1-CG2 3.9Å; R348-T350 HydrophobicContact CB-CG2 4.15Å; R348-T350 PolarHBondContact O-N 3.03Å; R348-T350 VanDerWaalsContact O-N 3.13Å; T350-S355 WeakPolarHBondContact O-CB 3Å; T350-S355 PolarHBondContact O-OG 2.96Å
351R90.4Very high88.5Confident3 Ų373.9 Ų73.91%0.01137%0.366CS..SBendtrans-98.493-173.8-65.8179.5-177.9-111.4-4110.8D336 Y349 F356 Y357 E362 T395D336-R351 IonicContact OD2-CZ 3.41Å; D336-R351 IonicContact OD2-NE 3.88Å; D336-R351 PolarHBondContact OD2-NE 3.14Å; D336-R351 IonicContact OD2-NH2 2.66Å; D336-R351 PolarHBondContact OD2-NH2 3.34Å; Y349-R351 WeakPolarHBondContact CE2-O 3.31Å; Y349-R351 PolarHBondContact OH-O 2.86Å; R351-F356 VanDerWaalsContact CA-O 3.31Å; R351-F356 WeakPolarHBondContact CA-O 3.3Å; R351-F356 WeakPolarHBondContact CB-O 3.13Å; R351-Y357 PolarHBondContact NH1-O 3.26Å; R351-E362 IonicContact CZ-OE1 2.9Å; R351-E362 IonicContact CZ-OE2 2.77Å; R351-E362 IonicContact NH1-OE1 3.78Å; R351-E362 IonicContact NH1-OE2 2.81Å; R351-E362 PolarHBondContact NH1-OE2 3.15Å; R351-E362 IonicContact NH2-OE1 2.75Å; R351-E362 PolarHBondContact NH2-OE1 3Å; R351-E362 IonicContact NH2-OE2 2.78Å; R351-E362 PolarHBondContact NH2-OE2 3.15Å; R351-T395 HydrophobicContact CB-CG2 4.49Å
352N88.9Confident89.1Confident38 Ų3872.5 Ų72.520%0.20336%0.358CS..SBendtrans-138-178.8-175.564.647.6000110.9Y349 D354 S355Y349-N352 HydrophobicContact CD1-CB 4.2Å; Y349-N352 HydrophobicContact CE1-CB 3.59Å; Y349-N352 HydrophobicContact CE2-CB 4.08Å; Y349-N352 PolarHBondContact O-ND2 2.96Å; N352-D354 PolarHBondContact O-N 2.84Å; N352-D354 WeakPolarHBondContact OD1-CA 3.35Å; N352-D354 WeakPolarHBondContact OD1-CB 3.46Å; N352-D354 PolarHBondContact OD1-N 3.39Å; N352-S355 PolarHBondContact N-OG 3.43Å; N352-S355 PolarHBondContact O-N 3.08Å; N352-S355 VanDerWaalsContact O-N 3.14Å; N352-S355 PolarHBondContact O-OG 2.85Å; N352-S355 PolarHBondContact OD1-N 3.16Å; N352-S355 PolarHBondContact OD1-OG 3.34Å
353Q86.9Confident90Very high164 Ų16466.6 Ų66.677%0.76632%0.322SS*.THydrogen-bonded Turntrans-60.6-26.1-178-176.3176.2-1.300113.5
354D85.7Confident90.8Very high157 Ų15757.2 Ų57.284%0.8429%0.288SS*.THydrogen-bonded Turntrans-91.7-4.6-178.2-59.7-40000112.8N352N352-D354 PolarHBondContact O-N 2.84Å; N352-D354 WeakPolarHBondContact OD1-CA 3.35Å; N352-D354 WeakPolarHBondContact OD1-CB 3.46Å; N352-D354 PolarHBondContact OD1-N 3.39Å
355S88.2Confident91.5Very high44 Ų4453.6 Ų53.631%0.30827%0.273SS..SBendtrans-119.7-106.2179.264.10000111.6T350 N352T350-S355 WeakPolarHBondContact O-CB 3Å; T350-S355 PolarHBondContact O-OG 2.96Å; N352-S355 PolarHBondContact N-OG 3.43Å; N352-S355 PolarHBondContact O-N 3.08Å; N352-S355 VanDerWaalsContact O-N 3.14Å; N352-S355 PolarHBondContact O-OG 2.85Å; N352-S355 PolarHBondContact OD1-N 3.16Å; N352-S355 PolarHBondContact OD1-OG 3.34Å
356F90.8Very high92.3Very high46 Ų4651.3 Ų51.320%0.20225%0.249CC..  trans-156.1155.1177.863.8-89.9000110.7R351 P429 E430R351-F356 VanDerWaalsContact CA-O 3.31Å; R351-F356 WeakPolarHBondContact CA-O 3.3Å; R351-F356 WeakPolarHBondContact CB-O 3.13Å; F356-P429 HydrophobicContact CD1-CB 4.2Å; F356-P429 HydrophobicContact CD1-CG 3.69Å; F356-P429 HydrophobicContact CE1-CB 3.98Å; F356-P429 HydrophobicContact CE1-CG 3.51Å; F356-P429 HydrophobicContact CZ-CB 4.2Å; F356-P429 HydrophobicContact CZ-CG 4.2Å; F356-E430 HydrophobicContact CB-CB 3.84Å
357Y93Very high92.7Very high83 Ų8350.4 Ų50.433%0.32524%0.243SC..SBendtrans-92.2-48176.1-64.3-72.9000112.2R351R351-Y357 PolarHBondContact NH1-O 3.26Å
358L94.4Very high92.9Very high0 Ų056.6 Ų56.60%027%0.267CS..SBendtrans-128.7142.8168.7-69.6175.4000109.2F334 E362 V393 Y407 V467 I471F334-L358 HydrophobicContact CZ-CD2 4.26Å; L358-E362 WeakPolarHBondContact CA-OE2 3.16Å; L358-E362 HydrophobicContact CB-CB 4.47Å; L358-E362 HydrophobicContact CD2-CB 4.25Å; L358-V393 HydrophobicContact CD2-CG2 3.53Å; L358-Y407 HydrophobicContact CD1-CD1 4.3Å; L358-Y407 HydrophobicContact CD1-CD2 3.94Å; L358-Y407 HydrophobicContact CD1-CG 3.71Å; L358-Y407 HydrophobicContact CD2-CD2 3.86Å; L358-Y407 HydrophobicContact CD2-CE2 4.18Å; L358-Y407 HydrophobicContact CD2-CG 4.48Å; L358-Y407 HydrophobicContact CG-CD2 3.87Å; L358-Y407 HydrophobicContact CG-CE2 4.18Å; L358-Y407 HydrophobicContact CG-CG 4.07Å; L358-V467 WeakPolarHBondContact O-CG2 3.48Å; L358-I471 HydrophobicContact CB-CD1 3.72Å; L358-I471 HydrophobicContact CB-CG1 4.44Å; L358-I471 HydrophobicContact CD1-CD1 4.18Å; L358-I471 HydrophobicContact CD1-CG1 4.07Å; L358-I471 HydrophobicContact CD1-CG2 3.9Å; L358-I471 HydrophobicContact CG-CD1 4.3Å
359S94.6Very high93.2Very high12 Ų1250.3 Ų50.38%0.08424%0.244CC..  trans-74.5161.6171.977.10000111E361 E362 C363 P429S359-E361 VanDerWaalsContact C-N 3.25Å; S359-E361 PolarHBondContact O-N 3.15Å; S359-E362 PolarHBondContact N-OE2 3.49Å; S359-E362 PolarHBondContact O-N 2.99Å; S359-E362 WeakPolarHBondContact OG-CB 3.45Å; S359-E362 VanDerWaalsContact OG-CD 3.25Å; S359-E362 WeakPolarHBondContact OG-CG 3.37Å; S359-E362 PolarHBondContact OG-N 3.36Å; S359-E362 VanDerWaalsContact OG-N 3.13Å; S359-C363 WeakPolarHBondContact O-CB 3.22Å; S359-C363 PolarHBondContact O-N 3.1Å; S359-C363 PolarHBondContact O-SG 2.8Å; S359-P429 CarbonylContact C-O 3.56Å; S359-P429 VanDerWaalsContact CA-O 3.31Å; S359-P429 WeakPolarHBondContact CA-O 3.47Å
360A94.9Very high93.5Very high2 Ų246.5 Ų46.52%0.01723%0.229CC..Hα-helixtrans-59.9-36.5174.400000112.1C363 I364 P424 P429 L431 V467A360-C363 PolarHBondContact O-N 2.84Å; A360-I364 WeakPolarHBondContact O-CB 3.24Å; A360-I364 WeakPolarHBondContact O-CD1 3.49Å; A360-I364 WeakPolarHBondContact O-CG1 3.4Å; A360-I364 PolarHBondContact O-N 2.75Å; A360-P424 HydrophobicContact CB-CB 3.92Å; A360-P429 PolarHBondContact N-O 3.01Å; A360-L431 WeakPolarHBondContact CB-O 3.36Å; A360-V467 HydrophobicContact CB-CG1 3.82Å
361E94.4Very high93.9Very high129 Ų12946 Ų4660%0.60323%0.225SC*.Hα-helixtrans-65.9-42.9176.1-65.5-174.3162.300111.7S359 C363 I364 T365 P424S359-E361 VanDerWaalsContact C-N 3.25Å; S359-E361 PolarHBondContact O-N 3.15Å; E361-C363 VanDerWaalsContact C-N 3.34Å; E361-I364 PolarHBondContact O-N 2.8Å; E361-T365 WeakPolarHBondContact O-CB 3.41Å; E361-T365 PolarHBondContact O-N 2.76Å; E361-T365 PolarHBondContact O-OG1 3.35Å; E361-P424 HydrophobicContact CG-CB 3.56Å; E361-P424 HydrophobicContact CG-CG 3.89Å
362E95.5Very high94.1Very high31 Ų3150.7 Ų50.715%0.14525%0.247CC..Hα-helixtrans-66.7-36.4175.6-69.2161.6-177.100111.9F334 R351 L358 S359 S366F334-E362 HydrophobicContact CE1-CG 4.49Å; F334-E362 HydrophobicContact CE2-CG 4.04Å; F334-E362 WeakPolarHBondContact CE2-OE1 3.35Å; F334-E362 HydrophobicContact CZ-CB 4.23Å; F334-E362 VanDerWaalsContact CZ-CD 3.49Å; F334-E362 HydrophobicContact CZ-CG 3.66Å; R351-E362 IonicContact CZ-OE1 2.9Å; R351-E362 IonicContact CZ-OE2 2.77Å; R351-E362 IonicContact NH1-OE1 3.78Å; R351-E362 IonicContact NH1-OE2 2.81Å; R351-E362 PolarHBondContact NH1-OE2 3.15Å; R351-E362 IonicContact NH2-OE1 2.75Å; R351-E362 PolarHBondContact NH2-OE1 3Å; R351-E362 IonicContact NH2-OE2 2.78Å; R351-E362 PolarHBondContact NH2-OE2 3.15Å; L358-E362 WeakPolarHBondContact CA-OE2 3.16Å; L358-E362 HydrophobicContact CB-CB 4.47Å; L358-E362 HydrophobicContact CD2-CB 4.25Å; S359-E362 PolarHBondContact N-OE2 3.49Å; S359-E362 PolarHBondContact O-N 2.99Å; S359-E362 WeakPolarHBondContact OG-CB 3.45Å; S359-E362 VanDerWaalsContact OG-CD 3.25Å; S359-E362 WeakPolarHBondContact OG-CG 3.37Å; S359-E362 PolarHBondContact OG-N 3.36Å; S359-E362 VanDerWaalsContact OG-N 3.13Å; E362-S366 VanDerWaalsContact O-CB 3.24Å; E362-S366 WeakPolarHBondContact O-CB 3.42Å; E362-S366 PolarHBondContact O-N 2.99Å; E362-S366 PolarHBondContact O-OG 3.42Å
363C96.3Very high94.4Very high0 Ų051.7 Ų51.70%025%0.25CS..Hα-helixtrans-65.5-44.4174.2-70.40000111.7S359 A360 E361 S366 G367 I471S359-C363 WeakPolarHBondContact O-CB 3.22Å; S359-C363 PolarHBondContact O-N 3.1Å; S359-C363 PolarHBondContact O-SG 2.8Å; A360-C363 PolarHBondContact O-N 2.84Å; E361-C363 VanDerWaalsContact C-N 3.34Å; C363-S366 PolarHBondContact O-N 2.96Å; C363-G367 PolarHBondContact O-N 2.85Å; C363-I471 VanDerWaalsContact SG-CG1 3.56Å
364I96.6Very high94.8Very high38 Ų3846.2 Ų46.220%0.19523%0.23CC..Hα-helixtrans-63.7-45.1177-69.6164.4000109.9A360 E361 S366 G367 Y368 V417 L422 P424A360-I364 WeakPolarHBondContact O-CB 3.24Å; A360-I364 WeakPolarHBondContact O-CD1 3.49Å; A360-I364 WeakPolarHBondContact O-CG1 3.4Å; A360-I364 PolarHBondContact O-N 2.75Å; E361-I364 PolarHBondContact O-N 2.8Å; I364-S366 PolarHBondContact O-N 2.97Å; I364-G367 PolarHBondContact O-N 2.78Å; I364-Y368 PolarHBondContact O-N 2.84Å; I364-V417 HydrophobicContact CB-CG2 4.43Å; I364-V417 HydrophobicContact CG1-CG2 4.34Å; I364-V417 HydrophobicContact CG2-CG1 4.27Å; I364-V417 HydrophobicContact CG2-CG2 4.37Å; I364-L422 HydrophobicContact CD1-CD2 4.49Å; I364-L422 HydrophobicContact CD1-CG 4.25Å; I364-L422 HydrophobicContact CG1-CD2 3.9Å; I364-L422 HydrophobicContact CG1-CG 4.16Å; I364-P424 HydrophobicContact CD1-CB 4.25Å; I364-P424 HydrophobicContact CD1-CG 4.28Å
365T96.4Very high95.2Very high50 Ų5039 Ų3931%0.30719%0.191SC..Hα-helixtrans-62.5-43.2177.2-56.10000111.6W332 E361 G367 Y368 F369W332-T365 HydrophobicContact CH2-CG2 3.98Å; W332-T365 HydrophobicContact CZ2-CG2 4.17Å; E361-T365 WeakPolarHBondContact O-CB 3.41Å; E361-T365 PolarHBondContact O-N 2.76Å; E361-T365 PolarHBondContact O-OG1 3.35Å; T365-G367 PolarHBondContact O-N 2.83Å; T365-Y368 WeakPolarHBondContact O-CB 3.47Å; T365-Y368 PolarHBondContact O-N 2.65Å; T365-F369 HydrophobicContact CG2-CD2 4.03Å; T365-F369 HydrophobicContact CG2-CE2 3.57Å; T365-F369 HydrophobicContact CG2-CZ 4.29Å; T365-F369 WeakPolarHBondContact O-CD2 3.41Å; T365-F369 PolarHBondContact O-N 3.28Å
366S97.3Very high95.5Very high0 Ų037.9 Ų37.90%018%0.183CC..Hα-helixtrans-61.4-43.5174.2-62.40000111.7E362 C363 I364 Y368 F369 Q370 T391E362-S366 VanDerWaalsContact O-CB 3.24Å; E362-S366 WeakPolarHBondContact O-CB 3.42Å; E362-S366 PolarHBondContact O-N 2.99Å; E362-S366 PolarHBondContact O-OG 3.42Å; C363-S366 PolarHBondContact O-N 2.96Å; I364-S366 PolarHBondContact O-N 2.97Å; S366-Y368 VanDerWaalsContact C-N 3.32Å; S366-Y368 PolarHBondContact O-N 3.05Å; S366-F369 PolarHBondContact O-N 3.48Å; S366-Q370 WeakPolarHBondContact O-CB 3.49Å; S366-Q370 WeakPolarHBondContact O-CG 3.45Å; S366-Q370 PolarHBondContact O-N 3.01Å; S366-T391 WeakPolarHBondContact CB-OG1 3.22Å; S366-T391 PolarHBondContact OG-OG1 2.92Å
367G97.1Very high95.5Very high0 Ų035.8 Ų35.80%017%0.174CC..Hα-helixtrans-63.8-36.2175.400000112.8C363 I364 T365 N371C363-G367 PolarHBondContact O-N 2.85Å; I364-G367 PolarHBondContact O-N 2.78Å; T365-G367 PolarHBondContact O-N 2.83Å; G367-N371 WeakPolarHBondContact O-CB 3.45Å; G367-N371 VanDerWaalsContact O-CG 3.32Å; G367-N371 PolarHBondContact O-N 2.73Å; G367-N371 PolarHBondContact O-ND2 3.31Å
368Y97.2Very high95.3Very high130 Ų13039.8 Ų39.851%0.5119%0.189SC..Hα-helixtrans-62.2-51.8173.8174.9-102.9000111.2I364 T365 S366 Q370 N371 Q372I364-Y368 PolarHBondContact O-N 2.84Å; T365-Y368 WeakPolarHBondContact O-CB 3.47Å; T365-Y368 PolarHBondContact O-N 2.65Å; S366-Y368 VanDerWaalsContact C-N 3.32Å; S366-Y368 PolarHBondContact O-N 3.05Å; Y368-Q370 PolarHBondContact O-N 3.19Å; Y368-N371 PolarHBondContact O-N 2.82Å; Y368-Q372 PolarHBondContact O-N 3.15Å; Y368-Q372 VanDerWaalsContact O-N 3.09Å; Y368-Q372 PolarHBondContact OH-NE2 3.22Å
369F97.4Very high94.9Very high5 Ų542.5 Ų42.52%0.02220%0.203CC..Hα-helixtrans-64-40177.9-68.8-47.6000113.2M271 Y273 L309 W332 T365 S366 N371 Q372 H373 F389M271-F369 HydrophobicContact CE-CE2 4.2Å; M271-F369 HydrophobicContact CE-CZ 3.98Å; Y273-F369 HydrophobicContact CE1-CE1 4.12Å; Y273-F369 HydrophobicContact CE1-CZ 4.28Å; Y273-F369 WeakPolarHBondContact OH-CE1 3.32Å; L309-F369 HydrophobicContact CD1-CE2 4.38Å; L309-F369 HydrophobicContact CD1-CZ 3.58Å; W332-F369 AromaticContact CD1-CD2 4Å; W332-F369 AromaticContact CD2-CD2 3.92Å; W332-F369 HydrophobicContact CD2-CD2 3.92Å; W332-F369 AromaticContact CD2-CE2 3.79Å; W332-F369 HydrophobicContact CD2-CE2 3.79Å; W332-F369 AromaticContact CE2-CD2 3.85Å; W332-F369 AromaticContact CE3-CE2 3.98Å; W332-F369 HydrophobicContact CE3-CE2 3.98Å; W332-F369 HydrophobicContact CG-CD2 4Å; W332-F369 HydrophobicContact CG-CE2 4.17Å; W332-F369 HydrophobicContact CZ2-CD2 4.44Å; W332-F369 HydrophobicContact CZ2-CE2 4.45Å; W332-F369 HydrophobicContact CZ3-CE2 4.38Å; W332-F369 AromaticContact NE1-CD2 3.87Å; T365-F369 HydrophobicContact CG2-CD2 4.03Å; T365-F369 HydrophobicContact CG2-CE2 3.57Å; T365-F369 HydrophobicContact CG2-CZ 4.29Å; T365-F369 WeakPolarHBondContact O-CD2 3.41Å; T365-F369 PolarHBondContact O-N 3.28Å; S366-F369 PolarHBondContact O-N 3.48Å; F369-N371 VanDerWaalsContact C-N 3.31Å; F369-N371 PolarHBondContact O-N 2.86Å; F369-Q372 WeakPolarHBondContact O-CB 3.47Å; F369-Q372 PolarHBondContact O-N 2.91Å; F369-H373 PolarHBondContact O-CD2 2.96Å; F369-H373 VanDerWaalsContact O-CD2 3.23Å; F369-H373 PolarHBondContact O-N 3.06Å; F369-F389 HydrophobicContact CB-CD1 3.81Å; F369-F389 HydrophobicContact CB-CE1 3.4Å; F369-F389 HydrophobicContact CB-CZ 4.09Å; F369-F389 HydrophobicContact CD2-CE1 4.32Å; F369-F389 HydrophobicContact CG-CE1 4.02Å; F369-F389 HydrophobicContact CG-CZ 4.46Å
370Q97.8Very high94.6Very high1 Ų142.1 Ų42.11%0.00520%0.2CC..Hα-helixtrans-62.6-37.8175.4-78.2-167.6-19.400112.7S366 Y368 H373 S374 S387 F389 V409 M414S366-Q370 WeakPolarHBondContact O-CB 3.49Å; S366-Q370 WeakPolarHBondContact O-CG 3.45Å; S366-Q370 PolarHBondContact O-N 3.01Å; Y368-Q370 PolarHBondContact O-N 3.19Å; Q370-H373 CarbonylContact O-C 3.44Å; Q370-H373 PolarHBondContact O-N 2.83Å; Q370-S374 PolarHBondContact O-N 2.95Å; Q370-S387 VanDerWaalsContact O-CB 3.31Å; Q370-S387 WeakPolarHBondContact O-CB 3.28Å; Q370-S387 PolarHBondContact O-OG 2.77Å; Q370-F389 HydrophobicContact CG-CB 4.17Å; Q370-F389 PolarHBondContact NE2-O 2.86Å; Q370-V409 PolarHBondContact OE1-O 2.77Å; Q370-V409 VanDerWaalsContact OE1-O 3.06Å; Q370-M414 HydrophobicContact CB-CE 3.89Å; Q370-M414 HydrophobicContact CB-CG 4.02Å; Q370-M414 HydrophobicContact CB-SD 3.95Å; Q370-M414 WeakPolarHBondContact O-CE 3.48Å; Q370-M414 PolarHBondContact OE1-SD 3.46Å
371N96.9Very high94.2Very high34 Ų3449.8 Ų49.818%0.18223%0.228CC..Hα-helixtrans-65.9-39.1175.4-80.1-53.1000111.9G367 Y368 F369 H373 S374 M414G367-N371 WeakPolarHBondContact O-CB 3.45Å; G367-N371 VanDerWaalsContact O-CG 3.32Å; G367-N371 PolarHBondContact O-N 2.73Å; G367-N371 PolarHBondContact O-ND2 3.31Å; Y368-N371 PolarHBondContact O-N 2.82Å; F369-N371 VanDerWaalsContact C-N 3.31Å; F369-N371 PolarHBondContact O-N 2.86Å; N371-H373 VanDerWaalsContact C-N 3.25Å; N371-H373 PolarHBondContact O-N 2.86Å; N371-S374 PolarHBondContact O-OG 2.79Å; N371-M414 PolarHBondContact ND2-O 3.41Å
372Q95.8Very high93.7Very high101 Ų10148.6 Ų48.647%0.47223%0.227SC..Hα-helixtrans-62.4-34.6173.1-68.3-173.6-16.100112.2Y368 F369Y368-Q372 PolarHBondContact O-N 3.15Å; Y368-Q372 VanDerWaalsContact O-N 3.09Å; Y368-Q372 PolarHBondContact OH-NE2 3.22Å; F369-Q372 WeakPolarHBondContact O-CB 3.47Å; F369-Q372 PolarHBondContact O-N 2.91Å
373H96Very high93.5Very high59 Ų5947.1 Ų47.127%0.27322%0.22SC..THydrogen-bonded Turntrans-10753.3-179.2-63.1-66.5000112F369 Q370 N371 S387 F389F369-H373 PolarHBondContact O-CD2 2.96Å; F369-H373 VanDerWaalsContact O-CD2 3.23Å; F369-H373 PolarHBondContact O-N 3.06Å; Q370-H373 CarbonylContact O-C 3.44Å; Q370-H373 PolarHBondContact O-N 2.83Å; N371-H373 VanDerWaalsContact C-N 3.25Å; N371-H373 PolarHBondContact O-N 2.86Å; H373-S387 WeakPolarHBondContact O-CB 3.41Å; H373-S387 PolarHBondContact O-OG 3.41Å; H373-F389 HydrophobicContact CB-CB 3.88Å; H373-F389 HydrophobicContact CB-CD2 3.83Å; H373-F389 HydrophobicContact CB-CG 4.08Å; H373-F389 AromaticContact CD2-CD2 3.34Å; H373-F389 WeakPolarHBondContact CD2-CD2 3.25Å; H373-F389 AromaticContact CD2-CE2 3.3Å; H373-F389 WeakPolarHBondContact CD2-CE2 3.3Å; H373-F389 AromaticContact CD2-CG 3.96Å; H373-F389 AromaticContact CD2-CZ 3.92Å; H373-F389 AromaticContact CG-CD2 3.61Å; H373-F389 AromaticContact CG-CE2 3.98Å; H373-F389 AromaticContact NE2-CE2 3.65Å
374S94.6Very high93.3Very high49 Ų4952.4 Ų52.434%0.34324%0.24SC..EExtended strand (participates in β ladder)trans-63.4136.9-179.7-70.20000112.3Q370 N371 P376Q370-S374 PolarHBondContact O-N 2.95Å; N371-S374 PolarHBondContact O-OG 2.79Å; S374-P376 WeakPolarHBondContact O-CD 3.38Å
375N94.8Very high93.2Very high5 Ų551.2 Ų51.23%0.02723%0.234CC..EExtended strand (participates in β ladder)trans-82.9122-177.6178.961.2000111.8C377 Y384 F385 G386 K388N375-C377 PolarHBondContact O-N 3.47Å; N375-Y384 CarbonylContact O-C 3.6Å; N375-Y384 VanDerWaalsContact O-CA 3.26Å; N375-Y384 WeakPolarHBondContact O-CA 3.34Å; N375-F385 PolarHBondContact O-N 2.96Å; N375-G386 PolarHBondContact N-O 3.43Å; N375-K388 WeakPolarHBondContact OD1-CE 3.44Å; N375-K388 PolarHBondContact OD1-NZ 2.92Å
376P93.6Very high93.1Very high21 Ų2149 Ų4914%0.13622%0.221CC..EExtended strand (participates in β ladder)trans-56.5129.4171.7-27.737.6000112.4V127 S374 Y384V127-P376 HydrophobicContact CG1-CB 3.73Å; V127-P376 HydrophobicContact CG1-CG 4.49Å; S374-P376 WeakPolarHBondContact O-CD 3.38Å; P376-Y384 HydrophobicContact CB-CE1 4.45Å; P376-Y384 HydrophobicContact CG-CD1 4.33Å; P376-Y384 HydrophobicContact CG-CE1 4.04Å
377C91.2Very high93.1Very high2 Ų249.1 Ų49.11%0.01422%0.222CC..  trans-149.9119.4178.6-174.80000111.9N375 L379 S380 G383 F385N375-C377 PolarHBondContact O-N 3.47Å; C377-L379 VanDerWaalsContact C-N 3.27Å; C377-L379 PolarHBondContact O-N 3.36Å; C377-S380 WeakPolarHBondContact O-CB 3.48Å; C377-S380 PolarHBondContact O-N 3.05Å; C377-G383 PolarHBondContact N-O 2.82Å; C377-G383 CarbonylContact O-C 3.09Å; C377-F385 HydrophobicContact CB-CB 3.92Å
378R88.1Confident93.1Very high166 Ų16649.4 Ų49.463%0.62622%0.223SC*.THydrogen-bonded Turntrans-69.3-21.7-179.1-71173.863.4145.34.3114.5E129 S380E129-R378 HydrophobicContact CG-CG 3.97Å; E129-R378 VanDerWaalsContact OE1-CB 3.31Å; E129-R378 WeakPolarHBondContact OE1-CB 3.47Å; E129-R378 VanDerWaalsContact OE1-CG 3.27Å; E129-R378 WeakPolarHBondContact OE1-CG 3.32Å; E129-R378 PolarHBondContact OE1-N 3.25Å; R378-S380 VanDerWaalsContact C-N 3.27Å
379L86.3Confident93.1Very high58 Ų5843.3 Ų43.330%0.30420%0.199SC..THydrogen-bonded Turntrans-79.9-12.6177.4-66.7170.8000112.4L190 T194 L205 C377L190-L379 HydrophobicContact CB-CD1 4.38Å; L190-L379 HydrophobicContact CD1-CD1 4.13Å; L190-L379 HydrophobicContact CD2-CD1 3.7Å; L190-L379 HydrophobicContact CG-CD1 4.29Å; T194-L379 HydrophobicContact CG2-CD1 4.17Å; T194-L379 HydrophobicContact CG2-CD2 4.42Å; L205-L379 HydrophobicContact CD1-CB 4.25Å; L205-L379 HydrophobicContact CG-CB 4.48Å; L205-L379 PolarHBondContact N-O 3.09Å; C377-L379 VanDerWaalsContact C-N 3.27Å; C377-L379 PolarHBondContact O-N 3.36Å
380S89.4Confident93.2Very high3 Ų343.1 Ų43.12%0.02120%0.198CC..BIsolated β-bridgetrans-83.2142.1174.6-175.40000111.3L205 C377 R378 D382 G383 Y384L205-S380 WeakPolarHBondContact O-CA 3.32Å; C377-S380 WeakPolarHBondContact O-CB 3.48Å; C377-S380 PolarHBondContact O-N 3.05Å; R378-S380 VanDerWaalsContact C-N 3.27Å; S380-D382 VanDerWaalsContact C-N 3.28Å; S380-D382 PolarHBondContact O-N 2.77Å; S380-D382 PolarHBondContact OG-N 3.11Å; S380-G383 PolarHBondContact O-N 3.41Å; S380-Y384 VanDerWaalsContact CB-O 3.25Å; S380-Y384 WeakPolarHBondContact CB-O 3.33Å; S380-Y384 PolarHBondContact OG-O 2.76Å
381R85Confident93.2Very high163 Ų16343 Ų4362%0.61520%0.198SC*.THydrogen-bonded Turntrans-65.3-34.1174.3-70.4-169.7179.5144.715.6112.7L205 E206 G383L205-R381 PolarHBondContact O-N 2.96Å; E206-R381 IonicContact OE1-CZ 2.74Å; E206-R381 IonicContact OE1-NE 3.68Å; E206-R381 IonicContact OE1-NH1 3.82Å; E206-R381 PolarHBondContact OE1-NH1 3.27Å; E206-R381 IonicContact OE1-NH2 3.31Å; E206-R381 PolarHBondContact OE1-NH2 3.45Å; R381-G383 VanDerWaalsContact C-N 3.27Å
382D85.5Confident93.3Very high105 Ų10541.4 Ų41.456%0.56119%0.189SC*.THydrogen-bonded Turntrans-85.9-4.2-178.9-52.2-35.1000111.8N207 S380 Y384N207-D382 PolarHBondContact ND2-OD2 3.12Å; S380-D382 VanDerWaalsContact C-N 3.28Å; S380-D382 PolarHBondContact O-N 2.77Å; S380-D382 PolarHBondContact OG-N 3.11Å; D382-Y384 WeakPolarHBondContact O-CD2 3.34Å; D382-Y384 PolarHBondContact O-N 2.96Å
383G89.5Confident93.3Very high0 Ų036.6 Ų36.60%017%0.167CC..SBendtrans80.6-5.4-176.500000115C377 S380 R381C377-G383 PolarHBondContact N-O 2.82Å; C377-G383 CarbonylContact O-C 3.09Å; S380-G383 PolarHBondContact O-N 3.41Å; R381-G383 VanDerWaalsContact C-N 3.27Å
384Y93Very high93.4Very high111 Ų11133.8 Ų33.844%0.43515%0.154SC..EExtended strand (participates in β ladder)trans-132.9145.9178.2-60.3-90.7000110.9V127 N207 N375 P376 S380 D382V127-Y384 HydrophobicContact CG1-CE1 4.47Å; N207-Y384 PolarHBondContact ND2-O 3.16Å; N375-Y384 CarbonylContact O-C 3.6Å; N375-Y384 VanDerWaalsContact O-CA 3.26Å; N375-Y384 WeakPolarHBondContact O-CA 3.34Å; P376-Y384 HydrophobicContact CB-CE1 4.45Å; P376-Y384 HydrophobicContact CG-CD1 4.33Å; P376-Y384 HydrophobicContact CG-CE1 4.04Å; S380-Y384 VanDerWaalsContact CB-O 3.25Å; S380-Y384 WeakPolarHBondContact CB-O 3.33Å; S380-Y384 PolarHBondContact OG-O 2.76Å; D382-Y384 WeakPolarHBondContact O-CD2 3.34Å; D382-Y384 PolarHBondContact O-N 2.96Å
385F94.4Very high93.4Very high12 Ų1231.5 Ų31.55%0.05314%0.138CC..EExtended strand (participates in β ladder)trans-152.5119.8176.3-173.5-98000112.1F186 L205 N207 Y242 H244 N375 C377 N411F186-F385 AromaticContact CE2-CD1 3.54Å; F186-F385 HydrophobicContact CE2-CD1 3.54Å; F186-F385 AromaticContact CE2-CE1 3.57Å; F186-F385 HydrophobicContact CE2-CE1 3.57Å; F186-F385 AromaticContact CZ-CD1 3.58Å; F186-F385 HydrophobicContact CZ-CD1 3.58Å; F186-F385 HydrophobicContact CZ-CE1 4.1Å; L205-F385 HydrophobicContact CB-CD2 3.71Å; L205-F385 HydrophobicContact CB-CE2 3.89Å; L205-F385 HydrophobicContact CB-CG 4.1Å; L205-F385 HydrophobicContact CB-CZ 4.43Å; L205-F385 HydrophobicContact CD1-CB 4.3Å; L205-F385 HydrophobicContact CD1-CD1 3.73Å; L205-F385 HydrophobicContact CD1-CD2 4.24Å; L205-F385 HydrophobicContact CD1-CE1 4.01Å; L205-F385 HydrophobicContact CD1-CG 3.82Å; L205-F385 HydrophobicContact CD1-CZ 4.39Å; L205-F385 HydrophobicContact CD2-CE1 4.16Å; L205-F385 HydrophobicContact CD2-CE2 4.15Å; L205-F385 HydrophobicContact CD2-CZ 3.88Å; L205-F385 HydrophobicContact CG-CD2 4.42Å; L205-F385 HydrophobicContact CG-CE2 4.42Å; L205-F385 HydrophobicContact CG-CG 4.49Å; L205-F385 HydrophobicContact CG-CZ 4.47Å; N207-F385 WeakPolarHBondContact OD1-CD2 3.33Å; Y242-F385 HydrophobicContact CE2-CE1 4.2Å; Y242-F385 AromaticContact CZ-CE1 3.98Å; Y242-F385 VanDerWaalsContact OH-CE1 3.22Å; Y242-F385 WeakPolarHBondContact OH-CE1 3.36Å; Y242-F385 VanDerWaalsContact OH-CZ 3.25Å; Y242-F385 WeakPolarHBondContact OH-CZ 3.33Å; H244-F385 PolarHBondContact CE1-O 3.38Å; N375-F385 PolarHBondContact O-N 2.96Å; C377-F385 HydrophobicContact CB-CB 3.92Å; F385-N411 WeakPolarHBondContact CE1-ND2 3.48Å; F385-N411 VanDerWaalsContact CZ-ND2 3.3Å; F385-N411 WeakPolarHBondContact CZ-ND2 3.36Å
386G94.8Very high93.3Very high5 Ų531.2 Ų31.25%0.05214%0.136CC..EExtended strand (participates in β ladder)trans60.2-158.2-177.300000113N375 N411N375-G386 PolarHBondContact N-O 3.43Å; G386-N411 VanDerWaalsContact CA-OD1 3.26Å; G386-N411 WeakPolarHBondContact CA-OD1 3.17Å
387S96.9Very high93.2Very high1 Ų130.3 Ų30.31%0.00713%0.13CC..EExtended strand (participates in β ladder)trans-149.4145.1179.8-178.30000111H244 Q370 H373 F389H244-S387 WeakPolarHBondContact CB-O 3.47Å; H244-S387 VanDerWaalsContact CG-O 3.27Å; Q370-S387 VanDerWaalsContact O-CB 3.31Å; Q370-S387 WeakPolarHBondContact O-CB 3.28Å; Q370-S387 PolarHBondContact O-OG 2.77Å; H373-S387 WeakPolarHBondContact O-CB 3.41Å; H373-S387 PolarHBondContact O-OG 3.41Å; S387-F389 VanDerWaalsContact C-N 3.33Å; S387-F389 VanDerWaalsContact OG-CB 3.23Å; S387-F389 WeakPolarHBondContact OG-CB 3.47Å; S387-F389 PolarHBondContact OG-N 3.33Å
388K97.1Very high93.2Very high7 Ų734.8 Ų34.83%0.0316%0.16CC..  trans-86.9-5.7168.6-70.1-178-64-156.50112.8D130 D133 H244 V245 Y278 I288 N375 V390 Q408D130-K388 VanDerWaalsContact OD2-CE 3.29Å; D130-K388 WeakPolarHBondContact OD2-CE 3.41Å; D130-K388 IonicContact OD2-NZ 3.85Å; D130-K388 PolarHBondContact OD2-NZ 3.28Å; D133-K388 IonicContact OD1-NZ 2.77Å; D133-K388 IonicContact OD2-NZ 3.23Å; D133-K388 PolarHBondContact OD2-NZ 2.86Å; H244-K388 HydrophobicContact CB-CG 4.1Å; V245-K388 HydrophobicContact CG2-CB 3.89Å; V245-K388 HydrophobicContact CG2-CG 4.27Å; V245-K388 WeakPolarHBondContact CG2-O 3.44Å; Y278-K388 HydrophobicContact CE1-CB 3.77Å; Y278-K388 HydrophobicContact CE2-CB 4.25Å; Y278-K388 WeakPolarHBondContact OH-CB 3.47Å; Y278-K388 PolarHBondContact OH-O 3.22Å; I288-K388 HydrophobicContact CD1-CD 4.18Å; N375-K388 WeakPolarHBondContact OD1-CE 3.44Å; N375-K388 PolarHBondContact OD1-NZ 2.92Å; K388-V390 PolarHBondContact O-N 2.96Å; K388-Q408 PolarHBondContact O-NE2 3.32Å; K388-Q408 VanDerWaalsContact O-NE2 3.15Å
389F98.2Very high93.4Very high2 Ų231 Ų311%0.00915%0.152CC..  trans-66.1126.5-177.5-165.2-93.4000110.9Y273 K329 V330 G331 W332 F369 Q370 H373 S387 Q408Y273-F389 HydrophobicContact CD1-CZ 4.34Å; Y273-F389 HydrophobicContact CE1-CZ 4.5Å; K329-F389 HydrophobicContact CD-CE2 4.07Å; K329-F389 HydrophobicContact CG-CE2 3.93Å; V330-F389 WeakPolarHBondContact O-CA 3.47Å; G331-F389 WeakPolarHBondContact O-CZ 3.12Å; W332-F389 HydrophobicContact CB-CE1 4.19Å; W332-F389 HydrophobicContact CB-CZ 4.16Å; W332-F389 AromaticContact CD1-CE1 3.43Å; W332-F389 VanDerWaalsContact CD1-CE1 3.43Å; W332-F389 HydrophobicContact CG-CE1 4.07Å; F369-F389 HydrophobicContact CB-CD1 3.81Å; F369-F389 HydrophobicContact CB-CE1 3.4Å; F369-F389 HydrophobicContact CB-CZ 4.09Å; F369-F389 HydrophobicContact CD2-CE1 4.32Å; F369-F389 HydrophobicContact CG-CE1 4.02Å; F369-F389 HydrophobicContact CG-CZ 4.46Å; Q370-F389 HydrophobicContact CG-CB 4.17Å; Q370-F389 PolarHBondContact NE2-O 2.86Å; H373-F389 HydrophobicContact CB-CB 3.88Å; H373-F389 HydrophobicContact CB-CD2 3.83Å; H373-F389 HydrophobicContact CB-CG 4.08Å; H373-F389 AromaticContact CD2-CD2 3.34Å; H373-F389 WeakPolarHBondContact CD2-CD2 3.25Å; H373-F389 AromaticContact CD2-CE2 3.3Å; H373-F389 WeakPolarHBondContact CD2-CE2 3.3Å; H373-F389 AromaticContact CD2-CG 3.96Å; H373-F389 AromaticContact CD2-CZ 3.92Å; H373-F389 AromaticContact CG-CD2 3.61Å; H373-F389 AromaticContact CG-CE2 3.98Å; H373-F389 AromaticContact NE2-CE2 3.65Å; S387-F389 VanDerWaalsContact C-N 3.33Å; S387-F389 VanDerWaalsContact OG-CB 3.23Å; S387-F389 WeakPolarHBondContact OG-CB 3.47Å; S387-F389 PolarHBondContact OG-N 3.33Å; F389-Q408 PolarHBondContact O-NE2 3.24Å
390V98.1Very high93.6Very high0 Ų030.6 Ų30.60%015%0.15CC..EExtended strand (participates in β ladder)trans-103.9152.9-176.1-59.20000112.4V245 I248 L274 V330 G331 W332 K388 Q408 I474V245-V390 HydrophobicContact CB-CG1 3.87Å; V245-V390 HydrophobicContact CG1-CG1 3.95Å; V245-V390 HydrophobicContact CG2-CG1 4.05Å; I248-V390 HydrophobicContact CD1-CB 3.66Å; I248-V390 HydrophobicContact CD1-CG1 4.01Å; I248-V390 HydrophobicContact CD1-CG2 3.69Å; I248-V390 HydrophobicContact CG1-CB 4.18Å; I248-V390 HydrophobicContact CG1-CG1 4.07Å; I248-V390 HydrophobicContact CG1-CG2 4.01Å; L274-V390 HydrophobicContact CD1-CG2 4.28Å; V330-V390 WeakPolarHBondContact O-CG2 3.34Å; V330-V390 PolarHBondContact O-N 3.47Å; G331-V390 CarbonylContact C-O 3.46Å; G331-V390 WeakPolarHBondContact CA-O 3.25Å; W332-V390 PolarHBondContact N-O 3.22Å; K388-V390 PolarHBondContact O-N 2.96Å; V390-Q408 HydrophobicContact CG1-CG 4.2Å; V390-I474 HydrophobicContact CG1-CD1 4.01Å
391T98.4Very high93.7Very high0 Ų035 Ų350%017%0.17CC..EExtended strand (participates in β ladder)trans-109.8129.9170.8-600000108.6W332 F334 S366 Y407W332-T391 HydrophobicContact CZ2-CG2 3.72Å; W332-T391 PolarHBondContact NE1-OG1 2.87Å; F334-T391 HydrophobicContact CD1-CG2 4.49Å; F334-T391 HydrophobicContact CE1-CG2 3.79Å; S366-T391 WeakPolarHBondContact CB-OG1 3.22Å; S366-T391 PolarHBondContact OG-OG1 2.92Å; T391-Y407 PolarHBondContact N-O 3.14Å; T391-Y407 PolarHBondContact O-N 2.88Å
392V98.3Very high94.1Very high0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-118.4133.4173.1-178.40000109.6I248 F250 L274 W332 I333 F334 F404 E405I248-V392 HydrophobicContact CD1-CG2 3.7Å; I248-V392 HydrophobicContact CG2-CG2 4.15Å; F250-V392 HydrophobicContact CE2-CG1 4.41Å; F250-V392 HydrophobicContact CZ-CG1 4.25Å; L274-V392 HydrophobicContact CD1-CB 4.32Å; L274-V392 HydrophobicContact CD1-CG2 3.67Å; W332-V392 PolarHBondContact O-N 3.49Å; I333-V392 CarbonylContact C-O 3.53Å; I333-V392 VanDerWaalsContact CA-O 3.22Å; I333-V392 WeakPolarHBondContact CA-O 3.4Å; I333-V392 HydrophobicContact CB-CB 4.04Å; I333-V392 HydrophobicContact CD1-CB 4.32Å; I333-V392 HydrophobicContact CD1-CG1 3.85Å; I333-V392 HydrophobicContact CG1-CB 4Å; I333-V392 HydrophobicContact CG1-CG1 3.97Å; F334-V392 PolarHBondContact N-O 2.82Å; V392-F404 HydrophobicContact CG1-CB 4.12Å; V392-F404 HydrophobicContact CG1-CD1 4.16Å; V392-E405 CarbonylContact C-O 3.54Å; V392-E405 WeakPolarHBondContact CA-O 3.26Å
393V97.3Very high94.5Very high0 Ų027.7 Ų27.70%014%0.142CC..EExtended strand (participates in β ladder)trans-111.9122.3174.3-1680000108.5F334 D336 L358 F404 E405 Y407F334-V393 HydrophobicContact CD2-CG1 4.4Å; F334-V393 HydrophobicContact CE1-CG2 3.69Å; F334-V393 HydrophobicContact CE2-CG1 3.81Å; F334-V393 HydrophobicContact CE2-CG2 4.15Å; F334-V393 HydrophobicContact CZ-CB 4.25Å; F334-V393 HydrophobicContact CZ-CG1 3.98Å; F334-V393 HydrophobicContact CZ-CG2 3.44Å; F334-V393 VanDerWaalsContact CZ-CG2 3.44Å; D336-V393 HydrophobicContact CB-CG1 4.35Å; L358-V393 HydrophobicContact CD2-CG2 3.53Å; V393-F404 WeakPolarHBondContact O-CA 3.28Å; V393-E405 PolarHBondContact N-O 3.01Å; V393-E405 PolarHBondContact O-N 2.93Å; V393-Y407 HydrophobicContact CG2-CD2 4Å; V393-Y407 HydrophobicContact CG2-CE2 4.05Å
394A96.4Very high94.8Very high0 Ų029.2 Ų29.20%015%0.149CC..EExtended strand (participates in β ladder)trans-89.5106.7167.800000108.5L260 F334 T335 D336 H403 F404L260-A394 HydrophobicContact CD2-CB 4.17Å; F334-A394 PolarHBondContact O-N 2.85Å; T335-A394 WeakPolarHBondContact CA-O 3.37Å; T335-A394 HydrophobicContact CG2-CB 4.15Å; D336-A394 PolarHBondContact N-O 3.06Å; A394-H403 WeakPolarHBondContact CA-O 3.47Å; A394-F404 HydrophobicContact CB-CD1 3.86Å; A394-F404 HydrophobicContact CB-CE1 3.67Å
395T95.1Very high94.9Very high0 Ų025.7 Ų25.70%014%0.137CC..EExtended strand (participates in β ladder)trans-135.3174.4-175.5-1660000111D336 R351 H403 E405D336-T395 PolarHBondContact O-OG1 3.23Å; R351-T395 HydrophobicContact CB-CG2 4.49Å; T395-H403 PolarHBondContact N-O 3.46Å; T395-H403 PolarHBondContact O-N 3.49Å; T395-H403 VanDerWaalsContact O-O 3.13Å; T395-E405 HydrophobicContact CG2-CG 4.21Å
396G93.4Very high95Very high0 Ų025.3 Ų25.30%014%0.136CC..EExtended strand (participates in β ladder)trans-74.5137.8171.900000111V347 Y349 Q401V347-G396 VanDerWaalsContact CG2-CA 3.46Å; Y349-G396 WeakPolarHBondContact CD2-O 3.37Å; G396-Q401 CarbonylContact C-O 3.55Å; G396-Q401 WeakPolarHBondContact CA-O 3.49Å
397G91.2Very high95.1Very high1 Ų125.9 Ų25.91%0.0114%0.137CC..  trans-95.6-177.7174.100000113.4Y349 D399 N400 Q401 H403Y349-G397 WeakPolarHBondContact CB-O 3.31Å; G397-D399 PolarHBondContact O-N 3.43Å; G397-D399 VanDerWaalsContact O-N 3.12Å; G397-N400 PolarHBondContact O-N 3.43Å; G397-Q401 PolarHBondContact N-O 3Å; G397-H403 VanDerWaalsContact CA-CD2 3.47Å; G397-H403 WeakPolarHBondContact CA-CD2 3.39Å
398P90.4Very high95.1Very high97 Ų9726 Ų2663%0.6314%0.137SC*.THydrogen-bonded Turntrans-65.9-13.6-178.628-36000114.3Y349Y349-P398 HydrophobicContact CD1-CB 4.26Å; Y349-P398 HydrophobicContact CE1-CB 3.94Å
399D92.3Very high95.1Very high87 Ų8725.8 Ų25.847%0.46514%0.137SC..THydrogen-bonded Turntrans-95.67.9174.460.4-7.7000113G397 Q401 H403G397-D399 PolarHBondContact O-N 3.43Å; G397-D399 VanDerWaalsContact O-N 3.12Å; D399-Q401 HydrophobicContact CB-CG 4.47Å; D399-Q401 PolarHBondContact O-N 3.04Å; D399-Q401 VanDerWaalsContact O-N 3.16Å; D399-Q401 WeakPolarHBondContact OD1-CB 3.36Å; D399-Q401 PolarHBondContact OD1-N 2.74Å; D399-Q401 VanDerWaalsContact OD1-N 3.11Å; D399-H403 VanDerWaalsContact CG-NE2 3.28Å; D399-H403 IonicContact OD1-CD2 3.56Å; D399-H403 PolarHBondContact OD1-CD2 2.98Å; D399-H403 VanDerWaalsContact OD1-CD2 3.27Å; D399-H403 IonicContact OD1-NE2 2.71Å; D399-H403 PolarHBondContact OD1-NE2 3.44Å; D399-H403 IonicContact OD2-CE1 3.88Å; D399-H403 IonicContact OD2-NE2 3.93Å; D399-H403 PolarHBondContact OD2-NE2 2.69Å
400N90.8Very high95Very high49 Ų4925.8 Ų25.826%0.26214%0.136SC..SBendtrans55.824.3-174-59.2-4.5000113.4E340 T346 V347 G397E340-N400 PolarHBondContact OE2-ND2 3.15Å; T346-N400 WeakPolarHBondContact CA-O 3.4Å; V347-N400 WeakPolarHBondContact CG2-O 3.46Å; V347-N400 PolarHBondContact N-O 2.83Å; V347-N400 VanDerWaalsContact O-CA 3.32Å; V347-N400 WeakPolarHBondContact O-CA 3.47Å; V347-N400 VanDerWaalsContact O-CB 3.32Å; V347-N400 WeakPolarHBondContact O-CB 3.45Å; G397-N400 PolarHBondContact O-N 3.43Å
401Q91.8Very high94.9Very high96 Ų9626.7 Ų26.745%0.44914%0.142SC..SBendtrans-99.4167.4169.2-62.6-62-44.900110.3V347 G396 G397 D399 H403V347-Q401 VanDerWaalsContact CG2-C 3.41Å; V347-Q401 WeakPolarHBondContact CG2-O 3.4Å; G396-Q401 CarbonylContact C-O 3.55Å; G396-Q401 WeakPolarHBondContact CA-O 3.49Å; G397-Q401 PolarHBondContact N-O 3Å; D399-Q401 HydrophobicContact CB-CG 4.47Å; D399-Q401 PolarHBondContact O-N 3.04Å; D399-Q401 VanDerWaalsContact O-N 3.16Å; D399-Q401 WeakPolarHBondContact OD1-CB 3.36Å; D399-Q401 PolarHBondContact OD1-N 2.74Å; D399-Q401 VanDerWaalsContact OD1-N 3.11Å; Q401-H403 PolarHBondContact O-CD2 3.37Å; Q401-H403 PolarHBondContact O-N 3.28Å
402V92.9Very high94.7Very high43 Ų4327.8 Ų27.826%0.26115%0.147SC..EExtended strand (participates in β ladder)trans-73.9124.6174.7-177.90000109.6L260 L337 V347 F404L260-V402 HydrophobicContact CD1-CB 4.35Å; L260-V402 HydrophobicContact CD1-CG1 3.79Å; L260-V402 HydrophobicContact CD2-CG1 4.16Å; L337-V402 HydrophobicContact CD1-CG1 4.45Å; L337-V402 HydrophobicContact CD1-CG2 4.42Å; L337-V402 HydrophobicContact CD2-CG1 4.07Å; L337-V402 HydrophobicContact CD2-CG2 4.02Å; V347-V402 HydrophobicContact CG1-CG2 4.11Å; V347-V402 HydrophobicContact CG2-CG2 4.07Å; V402-F404 HydrophobicContact CG1-CZ 4.41Å
403H93.9Very high94.5Very high71 Ų7127.8 Ų27.833%0.32915%0.147SC..EExtended strand (participates in β ladder)trans-118.5153.9174.4-80.8-103.7000110.7A394 T395 G397 D399 Q401A394-H403 WeakPolarHBondContact CA-O 3.47Å; T395-H403 PolarHBondContact N-O 3.46Å; T395-H403 PolarHBondContact O-N 3.49Å; T395-H403 VanDerWaalsContact O-O 3.13Å; G397-H403 VanDerWaalsContact CA-CD2 3.47Å; G397-H403 WeakPolarHBondContact CA-CD2 3.39Å; D399-H403 VanDerWaalsContact CG-NE2 3.28Å; D399-H403 IonicContact OD1-CD2 3.56Å; D399-H403 PolarHBondContact OD1-CD2 2.98Å; D399-H403 VanDerWaalsContact OD1-CD2 3.27Å; D399-H403 IonicContact OD1-NE2 2.71Å; D399-H403 PolarHBondContact OD1-NE2 3.44Å; D399-H403 IonicContact OD2-CE1 3.88Å; D399-H403 IonicContact OD2-NE2 3.93Å; D399-H403 PolarHBondContact OD2-NE2 2.69Å; Q401-H403 PolarHBondContact O-CD2 3.37Å; Q401-H403 PolarHBondContact O-N 3.28Å
404F95.5Very high94.5Very high32 Ų3228.3 Ų28.314%0.1415%0.149CC..EExtended strand (participates in β ladder)trans-112.2111.7176.5-62.6-83.5000109.5F250 A256 L260 I333 V392 V393 A394 V402 T476 F478F250-F404 HydrophobicContact CE2-CB 4.47Å; F250-F404 HydrophobicContact CE2-CG 4.43Å; A256-F404 HydrophobicContact CB-CE1 4.29Å; A256-F404 HydrophobicContact CB-CE2 3.9Å; A256-F404 HydrophobicContact CB-CZ 3.56Å; L260-F404 HydrophobicContact CD1-CZ 3.9Å; L260-F404 HydrophobicContact CG-CZ 4.32Å; I333-F404 HydrophobicContact CD1-CD1 3.83Å; I333-F404 HydrophobicContact CD1-CE1 3.81Å; V392-F404 HydrophobicContact CG1-CB 4.12Å; V392-F404 HydrophobicContact CG1-CD1 4.16Å; V393-F404 WeakPolarHBondContact O-CA 3.28Å; A394-F404 HydrophobicContact CB-CD1 3.86Å; A394-F404 HydrophobicContact CB-CE1 3.67Å; V402-F404 HydrophobicContact CG1-CZ 4.41Å; F404-T476 HydrophobicContact CB-CG2 3.77Å; F404-T476 VanDerWaalsContact O-CB 3.23Å; F404-T476 WeakPolarHBondContact O-CB 3.19Å; F404-T476 PolarHBondContact O-OG1 2.87Å; F404-F478 HydrophobicContact CD2-CE2 4.19Å; F404-F478 HydrophobicContact CD2-CZ 4.08Å; F404-F478 HydrophobicContact CE2-CZ 4.11Å
405E95.7Very high94.4Very high37 Ų3728.5 Ų28.517%0.17315%0.151CC..EExtended strand (participates in β ladder)trans-101.3127.9179.2-61.1-171.8161.200110.1V392 V393 T395 Y407V392-E405 CarbonylContact C-O 3.54Å; V392-E405 WeakPolarHBondContact CA-O 3.26Å; V393-E405 PolarHBondContact N-O 3.01Å; V393-E405 PolarHBondContact O-N 2.93Å; T395-E405 HydrophobicContact CG2-CG 4.21Å; E405-Y407 HydrophobicContact CB-CD2 4.42Å; E405-Y407 HydrophobicContact CB-CE2 3.49Å; E405-Y407 VanDerWaalsContact CB-CE2 3.49Å; E405-Y407 PolarHBondContact OE2-OH 3.34Å
406G96.6Very high94.4Very high4 Ų428.6 Ų28.64%0.04115%0.151CC..EExtended strand (participates in β ladder)trans-102.2136.9-177.500000111.9I474 T476G406-I474 CarbonylContact C-O 3.5Å; G406-I474 WeakPolarHBondContact CA-O 3.43Å; G406-I474 PolarHBondContact N-O 3.22Å; G406-I474 PolarHBondContact O-N 2.86Å; G406-T476 PolarHBondContact N-OG1 3.23Å
407Y97.4Very high94.5Very high17 Ų1729.5 Ų29.57%0.06716%0.157CC..EExtended strand (participates in β ladder)trans-141.5154-178.7-59.7-74.9000112.2L358 T391 V393 E405 I471 I472L358-Y407 HydrophobicContact CD1-CD1 4.3Å; L358-Y407 HydrophobicContact CD1-CD2 3.94Å; L358-Y407 HydrophobicContact CD1-CG 3.71Å; L358-Y407 HydrophobicContact CD2-CD2 3.86Å; L358-Y407 HydrophobicContact CD2-CE2 4.18Å; L358-Y407 HydrophobicContact CD2-CG 4.48Å; L358-Y407 HydrophobicContact CG-CD2 3.87Å; L358-Y407 HydrophobicContact CG-CE2 4.18Å; L358-Y407 HydrophobicContact CG-CG 4.07Å; T391-Y407 PolarHBondContact N-O 3.14Å; T391-Y407 PolarHBondContact O-N 2.88Å; V393-Y407 HydrophobicContact CG2-CD2 4Å; V393-Y407 HydrophobicContact CG2-CE2 4.05Å; E405-Y407 HydrophobicContact CB-CD2 4.42Å; E405-Y407 HydrophobicContact CB-CE2 3.49Å; E405-Y407 VanDerWaalsContact CB-CE2 3.49Å; E405-Y407 PolarHBondContact OE2-OH 3.34Å; Y407-I471 HydrophobicContact CD1-CG2 3.47Å; Y407-I471 VanDerWaalsContact CD1-CG2 3.47Å; Y407-I471 HydrophobicContact CE1-CG2 4.22Å; Y407-I471 HydrophobicContact CG-CG2 4.1Å; Y407-I472 WeakPolarHBondContact CA-O 3.31Å
408Q97Very high94.7Very high3 Ų334 Ų341%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-128.6149.5160.4-87.7177.7-2300108.2K388 F389 V390 I472 I474K388-Q408 PolarHBondContact O-NE2 3.32Å; K388-Q408 VanDerWaalsContact O-NE2 3.15Å; F389-Q408 PolarHBondContact O-NE2 3.24Å; V390-Q408 HydrophobicContact CG1-CG 4.2Å; Q408-I472 PolarHBondContact N-O 2.63Å; Q408-I472 PolarHBondContact O-N 3.42Å; Q408-I474 HydrophobicContact CB-CD1 3.82Å; Q408-I474 VanDerWaalsContact CD-CD1 3.45Å; Q408-I474 HydrophobicContact CG-CD1 3.33Å
409V97.1Very high94.9Very high3 Ų329.5 Ų29.52%0.01814%0.144CC..EExtended strand (participates in β ladder)trans-88.4152.5166.5-56.20000110.4Q370 C413 M414 L470Q370-V409 PolarHBondContact OE1-O 2.77Å; Q370-V409 VanDerWaalsContact OE1-O 3.06Å; V409-C413 HydrophobicContact CB-CB 3.8Å; V409-C413 HydrophobicContact CG2-CB 4.01Å; V409-M414 HydrophobicContact CG2-CG 4.15Å; V409-L470 CarbonylContact C-O 3.53Å; V409-L470 VanDerWaalsContact CA-O 3.29Å; V409-L470 WeakPolarHBondContact CA-O 3.41Å
410S96Very high95Very high1 Ų131.4 Ų31.41%0.00715%0.15CC..  trans-69.8158.8-179.365.20000111.4Q412 C413 M414 L470S410-Q412 PolarHBondContact O-N 2.85Å; S410-Q412 VanDerWaalsContact O-N 3.12Å; S410-C413 WeakPolarHBondContact O-CA 3.33Å; S410-C413 VanDerWaalsContact O-CB 3.3Å; S410-C413 WeakPolarHBondContact O-CB 3.4Å; S410-C413 PolarHBondContact O-N 3.06Å; S410-C413 PolarHBondContact OG-N 3.23Å; S410-M414 PolarHBondContact O-N 2.9Å; S410-L470 PolarHBondContact N-O 2.94Å; S410-L470 PolarHBondContact OG-O 3Å
411N94.8Very high95.1Very high20 Ų2029.1 Ų29.111%0.10714%0.138CC..Hα-helixtrans-62.4-24.5175.9-67.5-2.1000111.9Y242 F385 G386 A415Y242-N411 PolarHBondContact OH-ND2 3.27Å; F385-N411 WeakPolarHBondContact CE1-ND2 3.48Å; F385-N411 VanDerWaalsContact CZ-ND2 3.3Å; F385-N411 WeakPolarHBondContact CZ-ND2 3.36Å; G386-N411 VanDerWaalsContact CA-OD1 3.26Å; G386-N411 WeakPolarHBondContact CA-OD1 3.17Å; N411-A415 PolarHBondContact O-N 3.18Å; N411-A415 VanDerWaalsContact O-N 3.11Å
412Q94.2Very high95.2Very high23 Ų2325.1 Ų25.111%0.10712%0.12CC..Hα-helixtrans-68.6-44.2171.6-67.8164.9117.600111.4I208 T236 L237 N238 S410 A415 L416I208-Q412 HydrophobicContact CD1-CB 4.28Å; I208-Q412 HydrophobicContact CD1-CG 3.45Å; I208-Q412 VanDerWaalsContact CD1-CG 3.45Å; T236-Q412 PolarHBondContact O-OE1 3.49Å; L237-Q412 VanDerWaalsContact CA-OE1 3.28Å; L237-Q412 HydrophobicContact CD2-CB 3.71Å; L237-Q412 HydrophobicContact CD2-CG 4.21Å; N238-Q412 VanDerWaalsContact N-OE1 3.08Å; N238-Q412 PolarHBondContact O-NE2 2.91Å; S410-Q412 PolarHBondContact O-N 2.85Å; S410-Q412 VanDerWaalsContact O-N 3.12Å; Q412-A415 PolarHBondContact O-N 3.4Å; Q412-L416 WeakPolarHBondContact O-CG 3.21Å; Q412-L416 PolarHBondContact O-N 3.27Å
413C95.5Very high95.2Very high0 Ų026.7 Ų26.70%013%0.126CC..Hα-helixtrans-61.6-47.2173.9-173.70000111.4V409 S410 A415 L416 V417 L470V409-C413 HydrophobicContact CB-CB 3.8Å; V409-C413 HydrophobicContact CG2-CB 4.01Å; S410-C413 WeakPolarHBondContact O-CA 3.33Å; S410-C413 VanDerWaalsContact O-CB 3.3Å; S410-C413 WeakPolarHBondContact O-CB 3.4Å; S410-C413 PolarHBondContact O-N 3.06Å; S410-C413 PolarHBondContact OG-N 3.23Å; C413-A415 VanDerWaalsContact C-N 3.28Å; C413-A415 PolarHBondContact O-N 2.76Å; C413-L416 PolarHBondContact O-N 2.95Å; C413-L416 VanDerWaalsContact O-N 3.13Å; C413-V417 WeakPolarHBondContact O-CG2 3.22Å; C413-V417 PolarHBondContact O-N 3.46Å; C413-L470 HydrophobicContact CB-CB 3.85Å; C413-L470 HydrophobicContact CB-CD1 4.45Å; C413-L470 HydrophobicContact CB-CD2 3.98Å; C413-L470 HydrophobicContact CB-CG 4.31Å
414M96.2Very high95.2Very high10 Ų1025.7 Ų25.75%0.04913%0.126CC..Hα-helixtrans-53-46.5175.7-68.2179.86500111.5Q370 N371 V409 S410 V417 R418Q370-M414 HydrophobicContact CB-CE 3.89Å; Q370-M414 HydrophobicContact CB-CG 4.02Å; Q370-M414 HydrophobicContact CB-SD 3.95Å; Q370-M414 WeakPolarHBondContact O-CE 3.48Å; Q370-M414 PolarHBondContact OE1-SD 3.46Å; N371-M414 PolarHBondContact ND2-O 3.41Å; V409-M414 HydrophobicContact CG2-CG 4.15Å; S410-M414 PolarHBondContact O-N 2.9Å; M414-V417 PolarHBondContact O-N 3.37Å; M414-R418 VanDerWaalsContact O-CB 3.26Å; M414-R418 WeakPolarHBondContact O-CB 3.47Å; M414-R418 PolarHBondContact O-N 3.04Å
415A94.9Very high95Very high4 Ų425.7 Ų25.73%0.03313%0.13CC..Hα-helixtrans-64.3-44.3178.100000112.7I208 N411 Q412 C413 V417 R418 D419I208-A415 HydrophobicContact CB-CB 3.76Å; I208-A415 HydrophobicContact CG2-CB 3.99Å; I208-A415 WeakPolarHBondContact O-CB 3.23Å; N411-A415 PolarHBondContact O-N 3.18Å; N411-A415 VanDerWaalsContact O-N 3.11Å; Q412-A415 PolarHBondContact O-N 3.4Å; C413-A415 VanDerWaalsContact C-N 3.28Å; C413-A415 PolarHBondContact O-N 2.76Å; A415-V417 VanDerWaalsContact C-N 3.32Å; A415-V417 PolarHBondContact O-N 2.94Å; A415-R418 PolarHBondContact O-N 2.83Å; A415-D419 WeakPolarHBondContact O-CB 3.47Å; A415-D419 PolarHBondContact O-N 2.83Å
416L95.2Very high94.6Very high2 Ų233.4 Ų33.41%0.0116%0.163CC..Hα-helixtrans-62.4-38.6177.2-69.9175.5000112.2I235 L237 Q412 C413 E420 C421 L422 V446 L470I235-L416 HydrophobicContact CD1-CD2 4.27Å; L237-L416 HydrophobicContact CD1-CD1 4.44Å; L237-L416 HydrophobicContact CD2-CD1 4.14Å; Q412-L416 WeakPolarHBondContact O-CG 3.21Å; Q412-L416 PolarHBondContact O-N 3.27Å; C413-L416 PolarHBondContact O-N 2.95Å; C413-L416 VanDerWaalsContact O-N 3.13Å; L416-E420 PolarHBondContact O-N 2.72Å; L416-C421 HydrophobicContact CD2-CB 3.91Å; L416-C421 PolarHBondContact O-N 2.88Å; L416-L422 HydrophobicContact CB-CB 4.24Å; L416-V446 HydrophobicContact CD2-CG2 3.91Å; L416-L470 HydrophobicContact CD1-CD2 4.33Å
417V96Very high94.1Very high19 Ų1940.4 Ų40.412%0.11520%0.199CC..Hα-helixtrans-72.9-46.5178.1173.90000111.2I364 C413 M414 A415 D419 E420 L422I364-V417 HydrophobicContact CB-CG2 4.43Å; I364-V417 HydrophobicContact CG1-CG2 4.34Å; I364-V417 HydrophobicContact CG2-CG1 4.27Å; I364-V417 HydrophobicContact CG2-CG2 4.37Å; C413-V417 WeakPolarHBondContact O-CG2 3.22Å; C413-V417 PolarHBondContact O-N 3.46Å; M414-V417 PolarHBondContact O-N 3.37Å; A415-V417 VanDerWaalsContact C-N 3.32Å; A415-V417 PolarHBondContact O-N 2.94Å; V417-D419 PolarHBondContact O-N 3.47Å; V417-E420 PolarHBondContact O-N 2.87Å; V417-L422 HydrophobicContact CG2-CD2 4.47Å
418R95.2Very high93.8Very high96 Ų9640.5 Ų40.536%0.36220%0.203SC..Hα-helixtrans-57.5-37.7178.5-175.1-164.767.7-147.6-9.6112.3I208 M414 A415 E420I208-R418 PolarHBondContact O-NH2 3.04Å; M414-R418 VanDerWaalsContact O-CB 3.26Å; M414-R418 WeakPolarHBondContact O-CB 3.47Å; M414-R418 PolarHBondContact O-N 3.04Å; A415-R418 PolarHBondContact O-N 2.83Å; R418-E420 VanDerWaalsContact C-N 3.33Å
419D93.8Very high93.5Very high3 Ų342.8 Ų42.82%0.01622%0.218CC..THydrogen-bonded Turntrans-96.915.7-179.6-58.6-21.9000111.8C210 K211 A415 V417 C421 Q441C210-D419 HydrophobicContact CB-CB 3.7Å; C210-D419 PolarHBondContact N-OD2 2.85Å; K211-D419 VanDerWaalsContact CE-OD1 3.24Å; K211-D419 WeakPolarHBondContact CE-OD1 3.32Å; K211-D419 HydrophobicContact CG-CB 4.21Å; K211-D419 IonicContact NZ-OD1 2.84Å; A415-D419 WeakPolarHBondContact O-CB 3.47Å; A415-D419 PolarHBondContact O-N 2.83Å; V417-D419 PolarHBondContact O-N 3.47Å; D419-C421 PolarHBondContact O-N 2.8Å; D419-C421 VanDerWaalsContact O-N 3.13Å; D419-C421 PolarHBondContact O-SG 3.5Å; D419-Q441 PolarHBondContact O-NE2 2.6Å
420E93.9Very high93.3Very high127 Ų12746.3 Ų46.359%0.59324%0.235SC*.THydrogen-bonded Turntrans51.535.7174.2-59.5-178.3-173.300114.6L416 V417 R418 K435L416-E420 PolarHBondContact O-N 2.72Å; V417-E420 PolarHBondContact O-N 2.87Å; R418-E420 VanDerWaalsContact C-N 3.33Å; E420-K435 WeakPolarHBondContact O-CD 3.03Å; E420-K435 WeakPolarHBondContact O-CE 3.39Å; E420-K435 PolarHBondContact O-NZ 2.98Å
421C93Very high93.2Very high1 Ų148.2 Ų48.21%0.00725%0.245CC..  trans-93.8-8.4-176.4-66.10000113.7C210 L416 D419 A434 K435 V443C210-C421 WeakPolarHBondContact CB-SG 3.38Å; L416-C421 HydrophobicContact CD2-CB 3.91Å; L416-C421 PolarHBondContact O-N 2.88Å; D419-C421 PolarHBondContact O-N 2.8Å; D419-C421 VanDerWaalsContact O-N 3.13Å; D419-C421 PolarHBondContact O-SG 3.5Å; C421-A434 CarbonylContact O-C 3.59Å; C421-A434 WeakPolarHBondContact O-CA 2.93Å; C421-K435 PolarHBondContact O-N 2.93Å; C421-V443 HydrophobicContact CB-CG1 3.96Å
422L93.9Very high93.1Very high12 Ų1247.3 Ų47.36%0.06324%0.24CC..EExtended strand (participates in β ladder)trans-115.6134.8-176.1-173.865000110.9I364 L416 V417 L465 L470I364-L422 HydrophobicContact CD1-CD2 4.49Å; I364-L422 HydrophobicContact CD1-CG 4.25Å; I364-L422 HydrophobicContact CG1-CD2 3.9Å; I364-L422 HydrophobicContact CG1-CG 4.16Å; L416-L422 HydrophobicContact CB-CB 4.24Å; V417-L422 HydrophobicContact CG2-CD2 4.47Å; L422-L465 HydrophobicContact CD1-CD2 4.1Å; L422-L470 HydrophobicContact CD2-CD1 3.66Å
423L93.8Very high93.1Very high75 Ų7550 Ų5039%0.39325%0.249SC..EExtended strand (participates in β ladder)trans-123149.8173.6-68.4175.5000110.6G432 Y433 K435L423-G432 CarbonylContact O-C 3.49Å; L423-G432 WeakPolarHBondContact O-CA 3.11Å; L423-Y433 PolarHBondContact N-O 3.17Å; L423-Y433 PolarHBondContact O-N 2.91Å; L423-K435 HydrophobicContact CD1-CD 4.19Å; L423-K435 HydrophobicContact CD1-CG 3.64Å; L423-K435 VanDerWaalsContact CD2-CE 3.46Å; L423-K435 HydrophobicContact CG-CD 4.23Å; L423-K435 HydrophobicContact CG-CG 3.72Å
424P94.1Very high93Very high50 Ų5050 Ų5033%0.32525%0.25SC..EExtended strand (participates in β ladder)trans-76.8148.6170.933-32.9000111.1A360 E361 I364A360-P424 HydrophobicContact CB-CB 3.92Å; E361-P424 HydrophobicContact CG-CB 3.56Å; E361-P424 HydrophobicContact CG-CG 3.89Å; I364-P424 HydrophobicContact CD1-CB 4.25Å; I364-P424 HydrophobicContact CD1-CG 4.28Å
425C91.1Very high92.8Very high33 Ų3352 Ų5222%0.22326%0.258CS..  trans-85.7139169.9-68.10000110.5A428 L431C425-A428 HydrophobicContact CB-CB 4.28Å; C425-A428 WeakPolarHBondContact CB-O 3.33Å; C425-L431 HydrophobicContact CB-CB 4.31Å; C425-L431 VanDerWaalsContact CB-O 3.23Å; C425-L431 WeakPolarHBondContact CB-O 3.46Å; C425-L431 PolarHBondContact N-O 3.13Å; C425-L431 PolarHBondContact SG-O 2.87Å
426K86.1Confident92.6Very high199 Ų19957.4 Ų57.487%0.86528%0.283SS*.SBendtrans-69.4-42.3-175.8-171.9-178.3178.3-175.70113.9
427D86.9Confident92.4Very high151 Ų15160.5 Ų60.581%0.80731%0.305SS*.SBendtrans-106.22.3-170.9-55.2-44.6000112.9
428A91Very high92.1Very high19 Ų1961.6 Ų61.616%0.15731%0.313CS..  trans-14387.6-176.100000110C425 E430 L431C425-A428 HydrophobicContact CB-CB 4.28Å; C425-A428 WeakPolarHBondContact CB-O 3.33Å; A428-E430 PolarHBondContact O-N 3.07Å; A428-L431 HydrophobicContact CB-CB 4.11Å; A428-L431 HydrophobicContact CB-CD1 3.9Å; A428-L431 HydrophobicContact CB-CG 4.06Å; A428-L431 PolarHBondContact O-N 3.34Å
429P90.5Very high91.7Very high50 Ų5061.6 Ų61.633%0.32533%0.325SS..THydrogen-bonded Turntrans-60.7-26-176.524.7-34.7000113.4F356 S359 A360 L431F356-P429 HydrophobicContact CD1-CB 4.2Å; F356-P429 HydrophobicContact CD1-CG 3.69Å; F356-P429 HydrophobicContact CE1-CB 3.98Å; F356-P429 HydrophobicContact CE1-CG 3.51Å; F356-P429 HydrophobicContact CZ-CB 4.2Å; F356-P429 HydrophobicContact CZ-CG 4.2Å; S359-P429 CarbonylContact C-O 3.56Å; S359-P429 VanDerWaalsContact CA-O 3.31Å; S359-P429 WeakPolarHBondContact CA-O 3.47Å; A360-P429 PolarHBondContact N-O 3.01Å; P429-L431 PolarHBondContact O-N 3.04Å
430E92.6Very high91.5Very high77 Ų7770.2 Ų70.236%0.3637%0.366SS..THydrogen-bonded Turntrans-75.5-8.6177.672.8-76.2-177.700114F356 A428 V467F356-E430 HydrophobicContact CB-CB 3.84Å; A428-E430 PolarHBondContact O-N 3.07Å; E430-V467 VanDerWaalsContact O-CG2 3.3Å; E430-V467 WeakPolarHBondContact O-CG2 3.29Å; E430-V467 PolarHBondContact O-N 3.23Å
431L94Very high91.2Very high42 Ų4266.5 Ų66.522%0.2235%0.348CS..EExtended strand (participates in β ladder)trans-116.3130.3-177.1-58.8-178.9000111.4A360 C425 A428 P429 P464 L465 P466A360-L431 WeakPolarHBondContact CB-O 3.36Å; C425-L431 HydrophobicContact CB-CB 4.31Å; C425-L431 VanDerWaalsContact CB-O 3.23Å; C425-L431 WeakPolarHBondContact CB-O 3.46Å; C425-L431 PolarHBondContact N-O 3.13Å; C425-L431 PolarHBondContact SG-O 2.87Å; A428-L431 HydrophobicContact CB-CB 4.11Å; A428-L431 HydrophobicContact CB-CD1 3.9Å; A428-L431 HydrophobicContact CB-CG 4.06Å; A428-L431 PolarHBondContact O-N 3.34Å; P429-L431 PolarHBondContact O-N 3.04Å; L431-P464 HydrophobicContact CB-CB 4.23Å; L431-P464 HydrophobicContact CD1-CB 4Å; L431-P464 HydrophobicContact CD1-CG 4.07Å; L431-L465 CarbonylContact C-O 3.36Å; L431-L465 WeakPolarHBondContact CA-O 3.35Å; L431-P466 HydrophobicContact CD2-CB 4.38Å; L431-P466 HydrophobicContact CD2-CG 4.28Å
432G93.5Very high91Very high0 Ų068.2 Ų68.20%036%0.355CS..EExtended strand (participates in β ladder)trans-94.2169.716100000111.7L423 L465L423-G432 CarbonylContact O-C 3.49Å; L423-G432 WeakPolarHBondContact O-CA 3.11Å; G432-L465 PolarHBondContact N-O 2.82Å; G432-L465 PolarHBondContact O-N 2.86Å
433Y94.1Very high90.9Very high80 Ų8067.8 Ų67.831%0.31435%0.352SS..EExtended strand (participates in β ladder)trans-131.1117.7176.1-164.3-85.1000109.8L423 K435 E436 R463L423-Y433 PolarHBondContact N-O 3.17Å; L423-Y433 PolarHBondContact O-N 2.91Å; Y433-K435 PolarHBondContact O-N 3.37Å; Y433-E436 PolarHBondContact OH-OE1 2.81Å; Y433-E436 VanDerWaalsContact OH-OE1 3.1Å; Y433-R463 HydrophobicContact CD2-CB 4.44Å; Y433-R463 HydrophobicContact CE1-CG 4.11Å; Y433-R463 HydrophobicContact CE2-CB 3.89Å; Y433-R463 HydrophobicContact CE2-CG 4.36Å
434A93.3Very high90.9Very high1 Ų164.3 Ų64.31%0.00833%0.334CS..EExtended strand (participates in β ladder)trans-72.2121.3172.300000109.6C421 V446 A462 R463C421-A434 CarbonylContact O-C 3.59Å; C421-A434 WeakPolarHBondContact O-CA 2.93Å; A434-V446 HydrophobicContact CB-CB 4.04Å; A434-V446 HydrophobicContact CB-CG2 4.16Å; A434-A462 HydrophobicContact CB-CB 4.12Å; A434-A462 VanDerWaalsContact CB-O 3.24Å; A434-A462 WeakPolarHBondContact CB-O 3.41Å; A434-A462 PolarHBondContact N-O 3.3Å; A434-R463 HydrophobicContact CB-CG 4.26Å; A434-R463 WeakPolarHBondContact O-CD 3.25Å; A434-R463 WeakPolarHBondContact O-CG 3.24Å; A434-R463 PolarHBondContact O-NE 2.71Å
435K92.5Very high90.8Very high50 Ų5065.5 Ų65.522%0.21734%0.338CS..PPolyproline II helixtrans-53.4150.2-178.5-72.8-170.4-171.3164.10111.9E420 C421 L423 Y433 V443 R463E420-K435 WeakPolarHBondContact O-CD 3.03Å; E420-K435 WeakPolarHBondContact O-CE 3.39Å; E420-K435 PolarHBondContact O-NZ 2.98Å; C421-K435 PolarHBondContact O-N 2.93Å; L423-K435 HydrophobicContact CD1-CD 4.19Å; L423-K435 HydrophobicContact CD1-CG 3.64Å; L423-K435 VanDerWaalsContact CD2-CE 3.46Å; L423-K435 HydrophobicContact CG-CD 4.23Å; L423-K435 HydrophobicContact CG-CG 3.72Å; Y433-K435 PolarHBondContact O-N 3.37Å; K435-V443 HydrophobicContact CB-CG1 4.41Å; K435-V443 HydrophobicContact CB-CG2 3.99Å; K435-V443 VanDerWaalsContact O-CG1 3.28Å; K435-V443 WeakPolarHBondContact O-CG1 3.38Å; K435-R463 PolarHBondContact O-NH2 2.95Å
436E90.9Very high90.9Very high119 Ų11964 Ų6456%0.55633%0.328SS*.PPolyproline II helixtrans-83.8150167.4-70175.3-158.700109.7Y433 S438Y433-E436 PolarHBondContact OH-OE1 2.81Å; Y433-E436 VanDerWaalsContact OH-OE1 3.1Å; E436-S438 PolarHBondContact O-N 3.11Å
437S89.7Confident91.4Very high67 Ų6757.4 Ų57.447%0.46930%0.299SS..PPolyproline II helixtrans-63.7127.817556.90000110
438S89.9Confident91.7Very high41 Ų4151.7 Ų51.729%0.28727%0.267SS..  trans-114.2165.817476.40000110.5W222 E436 E440 Q441W222-S438 VanDerWaalsContact CZ2-O 3.31Å; W222-S438 WeakPolarHBondContact CZ2-O 2.92Å; W222-S438 PolarHBondContact NE1-O 3.33Å; E436-S438 PolarHBondContact O-N 3.11Å; S438-E440 PolarHBondContact O-N 3.44Å; S438-E440 VanDerWaalsContact O-N 3.14Å; S438-E440 PolarHBondContact OG-N 2.86Å; S438-Q441 PolarHBondContact N-O 3.15Å; S438-Q441 CarbonylContact O-C 3.36Å; S438-Q441 PolarHBondContact O-N 3.38Å; S438-Q441 VanDerWaalsContact O-O 3.07Å; S438-Q441 PolarHBondContact OG-N 2.96Å; S438-Q441 VanDerWaalsContact OG-N 3.13Å
439P87.6Confident91.6Very high96 Ų9654.8 Ų54.862%0.62328%0.276SS*.SBendtrans-57.2-25.6172.4-24.434.8000113.3W222 P223W222-P439 PolarHBondContact NE1-O 3.43Å; P223-P439 HydrophobicContact CB-CB 4.17Å; P223-P439 WeakPolarHBondContact CB-O 3.34Å; P223-P439 HydrophobicContact CG-CB 4.18Å; P223-P439 WeakPolarHBondContact CG-O 3.46Å
440E88.4Confident91.5Very high185 Ų18556 Ų5686%0.86428%0.28SS*.SBendtrans-80.5-38.5178.7-60.5176.4177.200111.8S438S438-E440 PolarHBondContact O-N 3.44Å; S438-E440 VanDerWaalsContact O-N 3.14Å; S438-E440 PolarHBondContact OG-N 2.86Å
441Q88.2Confident91.2Very high49 Ų4959.1 Ų59.123%0.22929%0.293CS..  trans-142.3121.5-173.7-174.1-177.62.700111.8D419 S438 V443D419-Q441 PolarHBondContact O-NE2 2.6Å; S438-Q441 PolarHBondContact N-O 3.15Å; S438-Q441 CarbonylContact O-C 3.36Å; S438-Q441 PolarHBondContact O-N 3.38Å; S438-Q441 VanDerWaalsContact O-O 3.07Å; S438-Q441 PolarHBondContact OG-N 2.96Å; S438-Q441 VanDerWaalsContact OG-N 3.13Å; Q441-V443 HydrophobicContact CG-CG2 4.18Å
442Y89.8Confident91Very high36 Ų3659.6 Ų59.614%0.14130%0.296CS..  trans-75.4128.7167.2-175.8-92.9000110.6I212 W222 I226 Q231 P232 P444I212-Y442 HydrophobicContact CD1-CG 4.06Å; I212-Y442 HydrophobicContact CG1-CD1 4.05Å; I212-Y442 HydrophobicContact CG1-CG 4.11Å; W222-Y442 HydrophobicContact CE3-CD2 4.19Å; W222-Y442 AromaticContact CH2-CD2 3.7Å; W222-Y442 HydrophobicContact CH2-CD2 3.7Å; W222-Y442 HydrophobicContact CH2-CE2 4.44Å; W222-Y442 HydrophobicContact CZ2-CD2 4.03Å; W222-Y442 AromaticContact CZ3-CD2 3.78Å; W222-Y442 HydrophobicContact CZ3-CD2 3.78Å; W222-Y442 HydrophobicContact CZ3-CE2 4.45Å; I226-Y442 HydrophobicContact CD1-CD1 4.39Å; I226-Y442 HydrophobicContact CD1-CD2 3.93Å; I226-Y442 HydrophobicContact CD1-CE1 4.34Å; I226-Y442 HydrophobicContact CD1-CE2 3.88Å; I226-Y442 HydrophobicContact CD1-CG 4.2Å; Q231-Y442 HydrophobicContact CG-CE1 4.26Å; Q231-Y442 PolarHBondContact NE2-OH 2.91Å; P232-Y442 HydrophobicContact CG-CD1 3.84Å; P232-Y442 HydrophobicContact CG-CE1 3.63Å; Y442-P444 HydrophobicContact CE1-CB 4.28Å
443V92.1Very high90.8Very high3 Ų369.4 Ų69.42%0.01834%0.338CS..  trans-123.4121.7174.8-179.30000107.6C421 K435 Q441C421-V443 HydrophobicContact CB-CG1 3.96Å; K435-V443 HydrophobicContact CB-CG1 4.41Å; K435-V443 HydrophobicContact CB-CG2 3.99Å; K435-V443 VanDerWaalsContact O-CG1 3.28Å; K435-V443 WeakPolarHBondContact O-CG1 3.38Å; Q441-V443 HydrophobicContact CG-CG2 4.18Å
444P91.8Very high90.6Very high2 Ų274.1 Ų74.11%0.01336%0.361CS..  trans-67156.8176.528.7-33.9000110.6C210 P232 I235 Y442 V446C210-P444 HydrophobicContact CB-CG 4.02Å; P232-P444 HydrophobicContact CG-CB 4.3Å; P232-P444 HydrophobicContact CG-CG 4.33Å; I235-P444 HydrophobicContact CD1-CG 4.04Å; I235-P444 HydrophobicContact CG1-CG 4.42Å; Y442-P444 HydrophobicContact CE1-CB 4.28Å; P444-V446 PolarHBondContact O-N 2.92Å
445D92.7Very high90.3Very high76 Ų7676.2 Ų76.241%0.40638%0.382SS..  trans-64.1129.3171.6-70.1-35.2000110.1A234 I235 F447 L461 R463A234-D445 CarbonylContact C-O 3.59Å; A234-D445 WeakPolarHBondContact CA-O 3.45Å; A234-D445 HydrophobicContact CB-CB 4.5Å; I235-D445 PolarHBondContact N-O 3.37Å; D445-F447 HydrophobicContact CB-CD2 4.4Å; D445-F447 HydrophobicContact CB-CE2 3.56Å; D445-F447 HydrophobicContact CB-CZ 3.78Å; D445-L461 HydrophobicContact CB-CD1 4.49Å; D445-R463 IonicContact OD1-NH1 3.83Å; D445-R463 IonicContact OD1-NH2 3.91Å
446V94.2Very high90.2Very high1 Ų178.3 Ų78.31%0.00640%0.396CS..EExtended strand (participates in β ladder)trans-108.8126.5177.8-174.90000107.7I235 L237 L416 A434 P444 A462I235-V446 HydrophobicContact CB-CG2 4.44Å; I235-V446 CarbonylContact O-C 3.59Å; I235-V446 WeakPolarHBondContact O-CA 3.39Å; L237-V446 HydrophobicContact CD1-CG1 3.66Å; L237-V446 HydrophobicContact CD2-CG1 4.29Å; L237-V446 HydrophobicContact CG-CG1 3.77Å; L416-V446 HydrophobicContact CD2-CG2 3.91Å; A434-V446 HydrophobicContact CB-CB 4.04Å; A434-V446 HydrophobicContact CB-CG2 4.16Å; P444-V446 PolarHBondContact O-N 2.92Å; V446-A462 HydrophobicContact CB-CB 3.82Å; V446-A462 HydrophobicContact CG1-CB 3.66Å; V446-A462 WeakPolarHBondContact O-CB 3.29Å; V446-A462 PolarHBondContact O-N 2.65Å
447F94.9Very high90Very high60 Ų6077.6 Ų77.626%0.26340%0.396SS..EExtended strand (participates in β ladder)trans-118.9157.3178.9-61-80.1000110.1A234 I235 T236 L237 D445 T459 F460 L461A234-F447 HydrophobicContact CB-CD2 4.3Å; A234-F447 HydrophobicContact CB-CE2 3.98Å; I235-F447 PolarHBondContact O-N 3.42Å; T236-F447 CarbonylContact C-O 3.52Å; T236-F447 WeakPolarHBondContact CA-O 3.11Å; L237-F447 WeakPolarHBondContact CB-O 3.32Å; L237-F447 WeakPolarHBondContact CG-O 3.3Å; L237-F447 PolarHBondContact N-O 3.1Å; D445-F447 HydrophobicContact CB-CD2 4.4Å; D445-F447 HydrophobicContact CB-CE2 3.56Å; D445-F447 HydrophobicContact CB-CZ 3.78Å; F447-T459 HydrophobicContact CB-CG2 3.62Å; F447-T459 HydrophobicContact CD1-CG2 3.96Å; F447-T459 HydrophobicContact CG-CG2 3.97Å; F447-F460 CarbonylContact C-O 3.49Å; F447-F460 WeakPolarHBondContact CA-O 3.3Å; F447-F460 WeakPolarHBondContact CB-O 3.4Å; F447-L461 HydrophobicContact CD1-CD1 4.06Å; F447-L461 HydrophobicContact CE1-CD1 3.66Å; F447-L461 HydrophobicContact CZ-CD1 4.15Å
448Y93.4Very high90.1Very high32 Ų3277.1 Ų77.113%0.12539%0.39CS..EExtended strand (participates in β ladder)trans-131.5157.9165.765.9-85.7000109.5D450 T459 F460 A462 L465 P466 Y469Y448-D450 HydrophobicContact CE2-CB 4.49Å; Y448-T459 CarbonylContact O-C 3.54Å; Y448-T459 WeakPolarHBondContact O-CA 3.45Å; Y448-F460 HydrophobicContact CD1-CB 4.04Å; Y448-F460 HydrophobicContact CD2-CB 4.25Å; Y448-F460 HydrophobicContact CD2-CD2 4.4Å; Y448-F460 HydrophobicContact CE1-CB 3.53Å; Y448-F460 HydrophobicContact CE2-CB 3.74Å; Y448-F460 AromaticContact CE2-CD2 3.86Å; Y448-F460 HydrophobicContact CE2-CD2 3.86Å; Y448-F460 HydrophobicContact CE2-CG 4.04Å; Y448-F460 HydrophobicContact CG-CB 4.38Å; Y448-F460 AromaticContact CZ-CG 3.94Å; Y448-F460 PolarHBondContact N-O 3.01Å; Y448-F460 PolarHBondContact O-N 3.01Å; Y448-A462 HydrophobicContact CD1-CB 4.29Å; Y448-L465 HydrophobicContact CD1-CD1 3.85Å; Y448-L465 HydrophobicContact CE1-CD1 4.5Å; Y448-L465 HydrophobicContact CG-CD1 4.24Å; Y448-P466 HydrophobicContact CE2-CG 4.47Å; Y448-Y469 HydrophobicContact CD2-CD2 4.36Å; Y448-Y469 HydrophobicContact CD2-CE1 4.48Å; Y448-Y469 AromaticContact CD2-CE2 3.83Å; Y448-Y469 HydrophobicContact CD2-CE2 3.83Å; Y448-Y469 AromaticContact CD2-CZ 3.9Å; Y448-Y469 HydrophobicContact CE2-CE2 4.31Å
449K90.4Very high90.2Very high83 Ų8378.6 Ų78.636%0.36140%0.397SS..EExtended strand (participates in β ladder)trans-111.6130.7178.2-71.4-179.5174.2-178.20110.5T236 V458 Y469T236-K449 HydrophobicContact CG2-CD 4.2Å; T236-K449 HydrophobicContact CG2-CG 4.03Å; K449-V458 VanDerWaalsContact CA-O 3.31Å; K449-V458 WeakPolarHBondContact CA-O 3.42Å; K449-Y469 VanDerWaalsContact O-CE1 3.26Å; K449-Y469 WeakPolarHBondContact O-CE1 3.46Å; K449-Y469 PolarHBondContact O-OH 2.9Å; K449-Y469 VanDerWaalsContact O-OH 3.07Å
450D87.4Confident90.4Very high75 Ų7578 Ų7840%0.40139%0.385SS..EExtended strand (participates in β ladder)trans-127.3157.3172.9-161.38.2000110.7Y448 V458 F460 Y469Y448-D450 HydrophobicContact CE2-CB 4.49Å; D450-V458 PolarHBondContact N-O 3.13Å; D450-V458 PolarHBondContact O-N 3.38Å; D450-F460 HydrophobicContact CB-CD2 4.14Å; D450-F460 HydrophobicContact CB-CE2 3.86Å; D450-Y469 WeakPolarHBondContact CB-OH 3.39Å; D450-Y469 PolarHBondContact OD1-OH 2.76Å
451K87.1Confident90.6Very high143 Ų14372.7 Ų72.762%0.62236%0.362SS*.EExtended strand (participates in β ladder)trans-89.2126.5179.6-68.8-170.7176.8-166.60110.4N456K451-N456 WeakPolarHBondContact CA-O 3.45Å
452D89.4Confident90.7Very high53 Ų5370.3 Ų70.328%0.28335%0.351SS..  trans-70.3176.2172.274.76.7000112F454 G455 N456 V458D452-F454 PolarHBondContact O-N 3.26Å; D452-F454 VanDerWaalsContact OD1-CA 3.25Å; D452-F454 WeakPolarHBondContact OD1-CA 3.41Å; D452-F454 WeakPolarHBondContact OD1-CB 3.41Å; D452-F454 PolarHBondContact OD1-N 3.15Å; D452-G455 PolarHBondContact O-N 3.37Å; D452-G455 PolarHBondContact OD1-N 3.49Å; D452-N456 PolarHBondContact N-O 3.42Å; D452-N456 PolarHBondContact OD1-N 3.15Å; D452-N456 PolarHBondContact OD2-ND2 3.13Å; D452-N456 VanDerWaalsContact OD2-ND2 3.1Å; D452-V458 HydrophobicContact CB-CG2 3.92Å
453K89.6Confident90.8Very high206 Ų20671.1 Ų71.190%0.89635%0.354SS*.THydrogen-bonded Turntrans-59.3-14.5177.2-63-179.5-179.4178.80113.9
454F89.8Confident90.8Very high179 Ų17974 Ų7479%0.78537%0.372SS*.THydrogen-bonded Turntrans-105.82.2-179.7-54.6-74.9000112.2D452D452-F454 PolarHBondContact O-N 3.26Å; D452-F454 VanDerWaalsContact OD1-CA 3.25Å; D452-F454 WeakPolarHBondContact OD1-CA 3.41Å; D452-F454 WeakPolarHBondContact OD1-CB 3.41Å; D452-F454 PolarHBondContact OD1-N 3.15Å
455G86.5Confident90.8Very high45 Ų4573.9 Ų73.946%0.46437%0.372SS..SBendtrans8111.4179.200000115.1D452D452-G455 PolarHBondContact O-N 3.37Å; D452-G455 PolarHBondContact OD1-N 3.49Å
456N90Very high90.8Very high94 Ų9471.8 Ų71.850%0.50336%0.363SS..  trans-84.3142.8175.7-51.8-58.2000110.9K451 D452 V458K451-N456 WeakPolarHBondContact CA-O 3.45Å; D452-N456 PolarHBondContact N-O 3.42Å; D452-N456 PolarHBondContact OD1-N 3.15Å; D452-N456 PolarHBondContact OD2-ND2 3.13Å; D452-N456 VanDerWaalsContact OD2-ND2 3.1Å; N456-V458 PolarHBondContact O-N 3.01Å
457D87.9Confident90.7Very high104 Ų10472 Ų7256%0.55636%0.363SS*.EExtended strand (participates in β ladder)trans-76.4112.3175.4-66-25.1000110.5
458V90.7Very high90.5Very high56 Ų5673.8 Ų73.834%0.33937%0.373SS..EExtended strand (participates in β ladder)trans-101.3135.5173.6-178.10000109.1K449 D450 D452 N456 F460K449-V458 VanDerWaalsContact CA-O 3.31Å; K449-V458 WeakPolarHBondContact CA-O 3.42Å; D450-V458 PolarHBondContact N-O 3.13Å; D450-V458 PolarHBondContact O-N 3.38Å; D452-V458 HydrophobicContact CB-CG2 3.92Å; N456-V458 PolarHBondContact O-N 3.01Å; V458-F460 HydrophobicContact CB-CE2 3.7Å; V458-F460 HydrophobicContact CB-CZ 3.98Å; V458-F460 HydrophobicContact CG1-CD2 4.29Å; V458-F460 HydrophobicContact CG1-CE1 4.16Å; V458-F460 HydrophobicContact CG1-CE2 3.63Å; V458-F460 HydrophobicContact CG1-CZ 3.56Å
459T91.8Very high90.4Very high72 Ų7272.9 Ų72.944%0.44237%0.369SS..EExtended strand (participates in β ladder)trans-97.3125.9179.8-540000110F447 Y448F447-T459 HydrophobicContact CB-CG2 3.62Å; F447-T459 HydrophobicContact CD1-CG2 3.96Å; F447-T459 HydrophobicContact CG-CG2 3.97Å; Y448-T459 CarbonylContact O-C 3.54Å; Y448-T459 WeakPolarHBondContact O-CA 3.45Å
460F91.9Very high90.6Very high85 Ų8569 Ų6937%0.37335%0.352SS..EExtended strand (participates in β ladder)trans-115.3149.9179.8-63.7-86.3000110.5F447 Y448 D450 V458F447-F460 CarbonylContact C-O 3.49Å; F447-F460 WeakPolarHBondContact CA-O 3.3Å; F447-F460 WeakPolarHBondContact CB-O 3.4Å; Y448-F460 HydrophobicContact CD1-CB 4.04Å; Y448-F460 HydrophobicContact CD2-CB 4.25Å; Y448-F460 HydrophobicContact CD2-CD2 4.4Å; Y448-F460 HydrophobicContact CE1-CB 3.53Å; Y448-F460 HydrophobicContact CE2-CB 3.74Å; Y448-F460 AromaticContact CE2-CD2 3.86Å; Y448-F460 HydrophobicContact CE2-CD2 3.86Å; Y448-F460 HydrophobicContact CE2-CG 4.04Å; Y448-F460 HydrophobicContact CG-CB 4.38Å; Y448-F460 AromaticContact CZ-CG 3.94Å; Y448-F460 PolarHBondContact N-O 3.01Å; Y448-F460 PolarHBondContact O-N 3.01Å; D450-F460 HydrophobicContact CB-CD2 4.14Å; D450-F460 HydrophobicContact CB-CE2 3.86Å; V458-F460 HydrophobicContact CB-CE2 3.7Å; V458-F460 HydrophobicContact CB-CZ 3.98Å; V458-F460 HydrophobicContact CG1-CD2 4.29Å; V458-F460 HydrophobicContact CG1-CE1 4.16Å; V458-F460 HydrophobicContact CG1-CE2 3.63Å; V458-F460 HydrophobicContact CG1-CZ 3.56Å
461L93.1Very high91Very high72 Ų7266.7 Ų66.738%0.37734%0.34SS..EExtended strand (participates in β ladder)trans-76.2136171.8-17170.9000109.4D445 F447 R463D445-L461 HydrophobicContact CB-CD1 4.49Å; F447-L461 HydrophobicContact CD1-CD1 4.06Å; F447-L461 HydrophobicContact CE1-CD1 3.66Å; F447-L461 HydrophobicContact CZ-CD1 4.15Å; L461-R463 HydrophobicContact CD2-CB 4.28Å; L461-R463 HydrophobicContact CD2-CG 4.41Å; L461-R463 HydrophobicContact CG-CB 4.37Å; L461-R463 HydrophobicContact CG-CG 4.38Å; L461-R463 PolarHBondContact O-N 2.81Å
462A91.1Very high91.4Very high0 Ų060 Ų600%031%0.311CS..SBendtrans-7744.2-17700000113.3A434 V446 Y448 P464 L465A434-A462 HydrophobicContact CB-CB 4.12Å; A434-A462 VanDerWaalsContact CB-O 3.24Å; A434-A462 WeakPolarHBondContact CB-O 3.41Å; A434-A462 PolarHBondContact N-O 3.3Å; V446-A462 HydrophobicContact CB-CB 3.82Å; V446-A462 HydrophobicContact CG1-CB 3.66Å; V446-A462 WeakPolarHBondContact O-CB 3.29Å; V446-A462 PolarHBondContact O-N 2.65Å; Y448-A462 HydrophobicContact CD1-CB 4.29Å; A462-P464 VanDerWaalsContact C-C 3.47Å; A462-P464 CarbonylContact C-O 3.47Å; A462-L465 HydrophobicContact CB-CB 3.95Å; A462-L465 HydrophobicContact CB-CD1 3.96Å; A462-L465 HydrophobicContact CB-CD2 4.32Å; A462-L465 HydrophobicContact CB-CG 4.29Å
463R91.1Very high91.6Very high53 Ų5360.1 Ų60.120%0.231%0.311CS..SBendtrans-14177.6-178.9-64.2-176.5-172.1134.78.6108.9Y433 A434 K435 D445 L461Y433-R463 HydrophobicContact CD2-CB 4.44Å; Y433-R463 HydrophobicContact CE1-CG 4.11Å; Y433-R463 HydrophobicContact CE2-CB 3.89Å; Y433-R463 HydrophobicContact CE2-CG 4.36Å; A434-R463 HydrophobicContact CB-CG 4.26Å; A434-R463 WeakPolarHBondContact O-CD 3.25Å; A434-R463 WeakPolarHBondContact O-CG 3.24Å; A434-R463 PolarHBondContact O-NE 2.71Å; K435-R463 PolarHBondContact O-NH2 2.95Å; D445-R463 IonicContact OD1-NH1 3.83Å; D445-R463 IonicContact OD1-NH2 3.91Å; L461-R463 HydrophobicContact CD2-CB 4.28Å; L461-R463 HydrophobicContact CD2-CG 4.41Å; L461-R463 HydrophobicContact CG-CB 4.37Å; L461-R463 HydrophobicContact CG-CG 4.38Å; L461-R463 PolarHBondContact O-N 2.81Å
464P91.1Very high91.9Very high62 Ų6250.7 Ų50.740%0.40327%0.271SS..SBendcis-85.4166.46.334.4-35.5000114.4L431 A462L431-P464 HydrophobicContact CB-CB 4.23Å; L431-P464 HydrophobicContact CD1-CB 4Å; L431-P464 HydrophobicContact CD1-CG 4.07Å; A462-P464 VanDerWaalsContact C-C 3.47Å; A462-P464 CarbonylContact C-O 3.47Å
465L92.7Very high92Very high0 Ų045.2 Ų45.20%025%0.252CS..EExtended strand (participates in β ladder)trans-117.7119.5-179.3175.159.8000110.8L237 L422 L431 G432 Y448 A462 V467 L470L237-L465 HydrophobicContact CD1-CD1 3.47Å; L237-L465 VanDerWaalsContact CD1-CD1 3.47Å; L237-L465 HydrophobicContact CD1-CD2 3.54Å; L237-L465 HydrophobicContact CD1-CG 4.16Å; L422-L465 HydrophobicContact CD1-CD2 4.1Å; L431-L465 CarbonylContact C-O 3.36Å; L431-L465 WeakPolarHBondContact CA-O 3.35Å; G432-L465 PolarHBondContact N-O 2.82Å; G432-L465 PolarHBondContact O-N 2.86Å; Y448-L465 HydrophobicContact CD1-CD1 3.85Å; Y448-L465 HydrophobicContact CE1-CD1 4.5Å; Y448-L465 HydrophobicContact CG-CD1 4.24Å; A462-L465 HydrophobicContact CB-CB 3.95Å; A462-L465 HydrophobicContact CB-CD1 3.96Å; A462-L465 HydrophobicContact CB-CD2 4.32Å; A462-L465 HydrophobicContact CB-CG 4.29Å; L465-V467 PolarHBondContact O-N 3.41Å; L465-L470 HydrophobicContact CD2-CD1 3.9Å; L465-L470 HydrophobicContact CD2-CD2 4.28Å; L465-L470 HydrophobicContact CD2-CG 4.27Å
466P92.9Very high92.5Very high33 Ų3344.6 Ų44.621%0.21424%0.239CC..EExtended strand (participates in β ladder)trans-64.1126.5169.6-20.632.7000111.4L431 Y448 E468 Y469L431-P466 HydrophobicContact CD2-CB 4.38Å; L431-P466 HydrophobicContact CD2-CG 4.28Å; Y448-P466 HydrophobicContact CE2-CG 4.47Å; P466-E468 PolarHBondContact O-N 3.01Å; P466-Y469 HydrophobicContact CB-CD2 4.14Å; P466-Y469 HydrophobicContact CB-CE2 4.37Å; P466-Y469 HydrophobicContact CG-CE2 4.46Å; P466-Y469 PolarHBondContact O-N 3.09Å
467V92.3Very high92.7Very high4 Ų442.5 Ų42.52%0.02423%0.23CC..G310 helixtrans-68.3-17.9-176.3-60.70000113.1L358 A360 E430 L465 Y469 L470 I471L358-V467 WeakPolarHBondContact O-CG2 3.48Å; A360-V467 HydrophobicContact CB-CG1 3.82Å; E430-V467 VanDerWaalsContact O-CG2 3.3Å; E430-V467 WeakPolarHBondContact O-CG2 3.29Å; E430-V467 PolarHBondContact O-N 3.23Å; L465-V467 PolarHBondContact O-N 3.41Å; V467-Y469 PolarHBondContact O-N 3.22Å; V467-Y469 VanDerWaalsContact O-N 3.13Å; V467-L470 WeakPolarHBondContact O-CA 3.21Å; V467-L470 VanDerWaalsContact O-CB 3.26Å; V467-L470 WeakPolarHBondContact O-CB 3.49Å; V467-L470 PolarHBondContact O-N 3.12Å; V467-I471 HydrophobicContact CB-CD1 4.25Å; V467-I471 HydrophobicContact CG2-CD1 3.93Å; V467-I471 WeakPolarHBondContact O-CD1 3.33Å; V467-I471 WeakPolarHBondContact O-CG1 3.4Å; V467-I471 PolarHBondContact O-N 3.18Å
468E90.8Very high93Very high98 Ų9840.3 Ų40.346%0.45822%0.216SC..G310 helixtrans-56.6-28.8175.9-61.7-173.4166.700113.8P466 L470P466-E468 PolarHBondContact O-N 3.01Å; E468-L470 PolarHBondContact O-N 2.95Å
469Y91Very high93.1Very high14 Ų1438.7 Ų38.76%0.05521%0.206CC..G310 helixtrans-70.8-16.8175.1-74.9-90.1000113.1R239 Y448 K449 D450 P466 V467R239-Y469 HydrophobicContact CG-CD1 4.09Å; R239-Y469 HydrophobicContact CG-CE1 4.28Å; Y448-Y469 HydrophobicContact CD2-CD2 4.36Å; Y448-Y469 HydrophobicContact CD2-CE1 4.48Å; Y448-Y469 AromaticContact CD2-CE2 3.83Å; Y448-Y469 HydrophobicContact CD2-CE2 3.83Å; Y448-Y469 AromaticContact CD2-CZ 3.9Å; Y448-Y469 HydrophobicContact CE2-CE2 4.31Å; K449-Y469 VanDerWaalsContact O-CE1 3.26Å; K449-Y469 WeakPolarHBondContact O-CE1 3.46Å; K449-Y469 PolarHBondContact O-OH 2.9Å; K449-Y469 VanDerWaalsContact O-OH 3.07Å; D450-Y469 WeakPolarHBondContact CB-OH 3.39Å; D450-Y469 PolarHBondContact OD1-OH 2.76Å; P466-Y469 HydrophobicContact CB-CD2 4.14Å; P466-Y469 HydrophobicContact CB-CE2 4.37Å; P466-Y469 HydrophobicContact CG-CE2 4.46Å; P466-Y469 PolarHBondContact O-N 3.09Å; V467-Y469 PolarHBondContact O-N 3.22Å; V467-Y469 VanDerWaalsContact O-N 3.13Å
470L94.5Very high93Very high0 Ų045.3 Ų45.30%023%0.229CC..THydrogen-bonded Turntrans-98.9-15.6-176-58.2-177.6000112.6L237 V409 S410 C413 L416 L422 L465 V467 E468L237-L470 HydrophobicContact CD1-CD2 4.12Å; L237-L470 HydrophobicContact CD2-CD2 4.33Å; V409-L470 CarbonylContact C-O 3.53Å; V409-L470 VanDerWaalsContact CA-O 3.29Å; V409-L470 WeakPolarHBondContact CA-O 3.41Å; S410-L470 PolarHBondContact N-O 2.94Å; S410-L470 PolarHBondContact OG-O 3Å; C413-L470 HydrophobicContact CB-CB 3.85Å; C413-L470 HydrophobicContact CB-CD1 4.45Å; C413-L470 HydrophobicContact CB-CD2 3.98Å; C413-L470 HydrophobicContact CB-CG 4.31Å; L416-L470 HydrophobicContact CD1-CD2 4.33Å; L422-L470 HydrophobicContact CD2-CD1 3.66Å; L465-L470 HydrophobicContact CD2-CD1 3.9Å; L465-L470 HydrophobicContact CD2-CD2 4.28Å; L465-L470 HydrophobicContact CD2-CG 4.27Å; V467-L470 WeakPolarHBondContact O-CA 3.21Å; V467-L470 VanDerWaalsContact O-CB 3.26Å; V467-L470 WeakPolarHBondContact O-CB 3.49Å; V467-L470 PolarHBondContact O-N 3.12Å; E468-L470 PolarHBondContact O-N 2.95Å
471I94.8Very high92.9Very high27 Ų2747.6 Ų47.614%0.13825%0.245CC..EExtended strand (participates in β ladder)trans-105.3148.1-171.9-54.7156.5000110.2L358 C363 Y407 V467L358-I471 HydrophobicContact CB-CD1 3.72Å; L358-I471 HydrophobicContact CB-CG1 4.44Å; L358-I471 HydrophobicContact CD1-CD1 4.18Å; L358-I471 HydrophobicContact CD1-CG1 4.07Å; L358-I471 HydrophobicContact CD1-CG2 3.9Å; L358-I471 HydrophobicContact CG-CD1 4.3Å; C363-I471 VanDerWaalsContact SG-CG1 3.56Å; Y407-I471 HydrophobicContact CD1-CG2 3.47Å; Y407-I471 VanDerWaalsContact CD1-CG2 3.47Å; Y407-I471 HydrophobicContact CE1-CG2 4.22Å; Y407-I471 HydrophobicContact CG-CG2 4.1Å; V467-I471 HydrophobicContact CB-CD1 4.25Å; V467-I471 HydrophobicContact CG2-CD1 3.93Å; V467-I471 WeakPolarHBondContact O-CD1 3.33Å; V467-I471 WeakPolarHBondContact O-CG1 3.4Å; V467-I471 PolarHBondContact O-N 3.18Å
472I95.6Very high92.9Very high4 Ų447.3 Ų47.32%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-128130.7175.3-56.8172.2000107.5Q240 R243 Y407 Q408Q240-I472 HydrophobicContact CB-CD1 3.85Å; Q240-I472 HydrophobicContact CB-CG1 4.42Å; Q240-I472 HydrophobicContact CG-CD1 4.03Å; Q240-I472 VanDerWaalsContact NE2-CD1 3.27Å; R243-I472 HydrophobicContact CB-CG2 3.84Å; Y407-I472 WeakPolarHBondContact CA-O 3.31Å; Q408-I472 PolarHBondContact N-O 2.63Å; Q408-I472 PolarHBondContact O-N 3.42Å
473D94.6Very high92.8Very high54 Ų5451.4 Ų51.429%0.28927%0.267SS..EExtended strand (participates in β ladder)trans-82.3137.2-178.765.1-26.8000112.6K182 H183 R243K182-D473 WeakPolarHBondContact CD-OD2 3Å; K182-D473 WeakPolarHBondContact CE-OD2 3.45Å; K182-D473 IonicContact NZ-OD2 3.21Å; K182-D473 PolarHBondContact NZ-OD2 3.01Å; H183-D473 IonicContact CE1-OD1 2.81Å; H183-D473 PolarHBondContact CE1-OD1 3.46Å; H183-D473 IonicContact ND1-OD1 2.96Å; H183-D473 PolarHBondContact ND1-OD1 3.38Å; R243-D473 PolarHBondContact NH1-O 2.91Å
474I95.4Very high92.8Very high9 Ų955 Ų555%0.04628%0.281CS..EExtended strand (participates in β ladder)trans-128.1130.8177.5-55.5-179.6000109V245 I248 V390 G406 Q408 T476V245-I474 HydrophobicContact CB-CD1 4.36Å; V245-I474 WeakPolarHBondContact O-CD1 3.43Å; I248-I474 HydrophobicContact CD1-CB 4.32Å; I248-I474 HydrophobicContact CD1-CG2 3.99Å; I248-I474 HydrophobicContact CG1-CG2 3.78Å; V390-I474 HydrophobicContact CG1-CD1 4.01Å; G406-I474 CarbonylContact C-O 3.5Å; G406-I474 WeakPolarHBondContact CA-O 3.43Å; G406-I474 PolarHBondContact N-O 3.22Å; G406-I474 PolarHBondContact O-N 2.86Å; Q408-I474 HydrophobicContact CB-CD1 3.82Å; Q408-I474 VanDerWaalsContact CD-CD1 3.45Å; Q408-I474 HydrophobicContact CG-CD1 3.33Å; I474-T476 PolarHBondContact O-N 3.21Å
475T93.2Very high92.7Very high64 Ų6453.7 Ų53.739%0.39327%0.272SS..EExtended strand (participates in β ladder)trans-70.6128.8176.854.60000110D246 N247 I248D246-T475 PolarHBondContact O-OG1 2.75Å; N247-T475 WeakPolarHBondContact CA-O 3.31Å; N247-T475 PolarHBondContact ND2-O 3.24Å; N247-T475 PolarHBondContact ND2-OG1 3.46Å; I248-T475 PolarHBondContact N-O 3.31Å
476T95.1Very high92.5Very high31 Ų3155 Ų5519%0.1928%0.278CS..EExtended strand (participates in β ladder)trans-101.8135.8171-530000109.5I248 F250 F404 G406 I474I248-T476 HydrophobicContact CB-CG2 4.44Å; I248-T476 HydrophobicContact CG2-CG2 4.45Å; I248-T476 CarbonylContact O-C 3.54Å; I248-T476 VanDerWaalsContact O-CA 3.3Å; I248-T476 WeakPolarHBondContact O-CA 3.36Å; F250-T476 HydrophobicContact CD2-CG2 3.86Å; F250-T476 HydrophobicContact CE2-CG2 3.6Å; F404-T476 HydrophobicContact CB-CG2 3.77Å; F404-T476 VanDerWaalsContact O-CB 3.23Å; F404-T476 WeakPolarHBondContact O-CB 3.19Å; F404-T476 PolarHBondContact O-OG1 2.87Å; G406-T476 PolarHBondContact N-OG1 3.23Å; I474-T476 PolarHBondContact O-N 3.21Å
477T94.4Very high92.1Very high51 Ų5156 Ų5631%0.31328%0.283SS..EExtended strand (participates in β ladder)trans-143.5163.2-172.953.90000112.1N247 I248 M249 F250N247-T477 WeakPolarHBondContact ND2-CG2 3.42Å; N247-T477 PolarHBondContact ND2-OG1 3.33Å; N247-T477 PolarHBondContact OD1-OG1 3.1Å; I248-T477 PolarHBondContact O-N 3.36Å; I248-T477 PolarHBondContact O-OG1 3.48Å; M249-T477 WeakPolarHBondContact CA-O 3.23Å; F250-T477 PolarHBondContact N-O 3.28Å; F250-T477 VanDerWaalsContact N-O 3.08Å
478F94.5Very high91.6Very high58 Ų5857 Ų5725%0.25429%0.29SS..  trans-117.5141.6165.8-64.9-91.7000107.9F250 H253 A256 F404F250-F478 HydrophobicContact CB-CD1 3.71Å; F250-F478 HydrophobicContact CB-CE1 3.43Å; F250-F478 VanDerWaalsContact CB-CE1 3.43Å; F250-F478 HydrophobicContact CB-CZ 4.19Å; F250-F478 HydrophobicContact CD2-CE1 4.21Å; F250-F478 HydrophobicContact CD2-CZ 4.11Å; F250-F478 HydrophobicContact CG-CE1 4.01Å; F250-F478 HydrophobicContact CG-CZ 4.34Å; H253-F478 AromaticContact CE1-CD1 3.63Å; H253-F478 AromaticContact CE1-CD2 3.55Å; H253-F478 AromaticContact CE1-CG 3.33Å; H253-F478 WeakPolarHBondContact CE1-CG 3.44Å; H253-F478 AromaticContact CG-CD1 3.94Å; H253-F478 AromaticContact ND1-CD1 3.55Å; H253-F478 AromaticContact ND1-CD2 3.96Å; H253-F478 AromaticContact ND1-CE1 3.61Å; H253-F478 AromaticContact ND1-CG 3.74Å; H253-F478 AromaticContact ND1-CZ 3.86Å; H253-F478 AromaticContact NE2-CG 3.8Å; A256-F478 HydrophobicContact CB-CE1 4.24Å; A256-F478 HydrophobicContact CB-CZ 4.13Å; F404-F478 HydrophobicContact CD2-CE2 4.19Å; F404-F478 HydrophobicContact CD2-CZ 4.08Å; F404-F478 HydrophobicContact CE2-CZ 4.11Å
479P92.8Very high90.9Very high22 Ų2256.8 Ų56.814%0.14330%0.296CS..  trans-66.4149.8177.529.9-34.8000110.1M249 F250 E251 D481M249-P479 HydrophobicContact CE-CB 4.45Å; M249-P479 HydrophobicContact SD-CB 3.93Å; M249-P479 HydrophobicContact SD-CG 4.37Å; F250-P479 WeakPolarHBondContact O-CD 3.29Å; E251-P479 WeakPolarHBondContact O-CG 3.48Å; P479-D481 VanDerWaalsContact C-N 3.27Å; P479-D481 WeakPolarHBondContact CB-O 3.47Å; P479-D481 WeakPolarHBondContact CG-O 3.39Å; P479-D481 PolarHBondContact O-N 2.73Å
480K89.4Confident90.4Very high210 Ų21059.9 Ų59.991%0.91331%0.311SS*.SBendtrans-59.4-42.9176.7-68.2-178.8-179.7176.40111.5
481D91.3Very high89.9Confident134 Ų13466.3 Ų66.372%0.71734%0.335SS*.SBendtrans-104.6115.5172.6-61-49.9000107.9P479 Q483P479-D481 VanDerWaalsContact C-N 3.27Å; P479-D481 WeakPolarHBondContact CB-O 3.47Å; P479-D481 WeakPolarHBondContact CG-O 3.39Å; P479-D481 PolarHBondContact O-N 2.73Å; D481-Q483 PolarHBondContact O-N 3.41Å
482P91.4Very high89.7Confident66 Ų6665.1 Ų65.143%0.42933%0.329SS..  trans-55.5135.1179.6-27.535.5000112.2N252 Y484N252-P482 HydrophobicContact CB-CB 4.18Å; P482-Y484 HydrophobicContact CB-CE2 3.69Å
483Q90.8Very high89.5Confident86 Ų8666.4 Ų66.440%0.40234%0.338SS..  trans-104.3150.5174.7-63.7-178.2-4.200109.6E251 N252 D481E251-Q483 CarbonylContact C-O 3.51Å; E251-Q483 HydrophobicContact CB-CB 4.14Å; E251-Q483 WeakPolarHBondContact CB-O 3.33Å; E251-Q483 HydrophobicContact CG-CB 4.27Å; E251-Q483 PolarHBondContact O-N 2.82Å; N252-Q483 PolarHBondContact ND2-O 3.49Å; D481-Q483 PolarHBondContact O-N 3.41Å
484Y90Very high89.4Confident128 Ų12864.1 Ų64.150%0.50233%0.325SS..  trans-138.897.7-177.2-61.9-83.4000109.3N252 P482 F486N252-Y484 HydrophobicContact CB-CD1 4.43Å; N252-Y484 HydrophobicContact CB-CE1 3.88Å; N252-Y484 WeakPolarHBondContact ND2-CD1 3.46Å; P482-Y484 HydrophobicContact CB-CE2 3.69Å; Y484-F486 VanDerWaalsContact C-N 3.28Å
485T89Confident89.2Confident35 Ų3564 Ų6422%0.21533%0.325CS..SBendtrans-66.7-36.3163.1-71.80000110.4E251 R277 A293E251-T485 VanDerWaalsContact CD-OG1 3.29Å; E251-T485 PolarHBondContact OE1-OG1 3.2Å; E251-T485 VanDerWaalsContact OE2-CB 3.28Å; E251-T485 WeakPolarHBondContact OE2-CB 3.4Å; E251-T485 PolarHBondContact OE2-N 2.82Å; E251-T485 PolarHBondContact OE2-OG1 3.33Å; R277-T485 PolarHBondContact NH2-OG1 2.95Å; A293-T485 HydrophobicContact CB-CG2 4.27Å
486F89.6Confident89.1Confident27 Ų2763.4 Ų63.412%0.11832%0.319CS..SBendtrans-111.6116.7176.9-62.9-67.5000108.9A293 A294 L325 L327 Y484 S526 F528 L531 V553A293-F486 HydrophobicContact CB-CE2 4.2Å; A294-F486 HydrophobicContact CB-CD2 4.33Å; A294-F486 HydrophobicContact CB-CE2 3.85Å; L325-F486 HydrophobicContact CD1-CE1 4.23Å; L325-F486 HydrophobicContact CD1-CZ 4.17Å; L327-F486 HydrophobicContact CD1-CE2 3.96Å; L327-F486 HydrophobicContact CD1-CZ 3.81Å; Y484-F486 VanDerWaalsContact C-N 3.28Å; F486-S526 CarbonylContact C-O 3.42Å; F486-S526 WeakPolarHBondContact CA-O 3.18Å; F486-S526 VanDerWaalsContact CB-O 3.27Å; F486-S526 WeakPolarHBondContact CB-O 3.3Å; F486-F528 HydrophobicContact CD1-CB 4.34Å; F486-F528 HydrophobicContact CD2-CB 4.11Å; F486-F528 HydrophobicContact CE1-CB 4.01Å; F486-F528 HydrophobicContact CE1-CD2 4.31Å; F486-F528 HydrophobicContact CE2-CB 3.77Å; F486-F528 HydrophobicContact CE2-CD2 4.09Å; F486-F528 HydrophobicContact CE2-CG 4.22Å; F486-F528 HydrophobicContact CG-CB 4.39Å; F486-F528 HydrophobicContact CZ-CB 3.72Å; F486-F528 AromaticContact CZ-CD2 3.6Å; F486-F528 HydrophobicContact CZ-CD2 3.6Å; F486-F528 HydrophobicContact CZ-CG 4.07Å; F486-L531 HydrophobicContact CE1-CD1 4.25Å; F486-V553 HydrophobicContact CD1-CG1 4.34Å; F486-V553 HydrophobicContact CE1-CG1 4.28Å
487T84.1Confident88.9Confident54 Ų5462.2 Ų62.233%0.33131%0.311SS..  trans-90.1-13.8-172.163.70000113.9T489 D523 S526T487-T489 PolarHBondContact O-N 3.39Å; T487-T489 VanDerWaalsContact O-N 3.16Å; T487-D523 VanDerWaalsContact CB-OD1 3.26Å; T487-D523 WeakPolarHBondContact CB-OD1 3.21Å; T487-D523 PolarHBondContact OG1-OD1 3.19Å; T487-S526 PolarHBondContact N-O 2.83Å
488S81.4Confident88.4Confident24 Ų2464.9 Ų64.917%0.16832%0.324CS..  trans-49.3120.3-169.8177.90000112.7Q490 Y512 D523 S526S488-Q490 PolarHBondContact OG-O 2.88Å; S488-Y512 PolarHBondContact OG-OH 2.88Å; S488-D523 WeakPolarHBondContact CA-O 3.49Å; S488-D523 WeakPolarHBondContact CA-OD1 3.39Å; S488-D523 WeakPolarHBondContact CB-O 3.46Å; S488-D523 PolarHBondContact N-OD1 3.39Å; S488-S526 VanDerWaalsContact CB-O 3.26Å; S488-S526 WeakPolarHBondContact CB-O 3.28Å; S488-S526 PolarHBondContact N-O 3.06Å
489T76.8Confident87.9Confident95 Ų9568.9 Ų68.958%0.58335%0.346SS*.SBendtrans-74.2-33.9178.248.40000113T487 D523T487-T489 PolarHBondContact O-N 3.39Å; T487-T489 VanDerWaalsContact O-N 3.16Å; T489-D523 PolarHBondContact OG1-OD2 3.49Å; T489-D523 VanDerWaalsContact OG1-OD2 3.13Å
490Q79.6Confident87.5Confident79 Ų7970.1 Ų70.137%0.36935%0.351SS..SBendtrans-92.3150.4175.6-61-58.4-25.100110.8S488 Y512 C516S488-Q490 PolarHBondContact OG-O 2.88Å; Q490-Y512 HydrophobicContact CB-CD2 4.27Å; Q490-Y512 HydrophobicContact CB-CE2 3.67Å; Q490-C516 VanDerWaalsContact CG-SG 3.54Å
491R83.7Confident87.1Confident134 Ų13463 Ų6351%0.50634%0.337SS..  trans-103.8115.8-173.9-62.6-180-176.2171.81.5110.8D261D261-R491 IonicContact OD2-NH1 3.02Å
492F90.7Very high86.8Confident3 Ų358.5 Ų58.51%0.01331%0.312CS..PPolyproline II helixtrans-73.5143.5168.6-169.5-105.2000110R258 Q504 L509 Y512 H529 L530 F533R258-F492 PolarHBondContact NH2-O 2.97Å; F492-Q504 HydrophobicContact CE1-CB 4.44Å; F492-Q504 HydrophobicContact CE1-CG 3.85Å; F492-Q504 HydrophobicContact CZ-CG 4.39Å; F492-L509 HydrophobicContact CE2-CB 4.33Å; F492-L509 HydrophobicContact CE2-CD1 4.19Å; F492-Y512 HydrophobicContact CB-CD2 4.22Å; F492-Y512 HydrophobicContact CB-CE2 4.15Å; F492-Y512 HydrophobicContact CD2-CD1 4.17Å; F492-Y512 HydrophobicContact CD2-CD2 4.21Å; F492-Y512 AromaticContact CD2-CG 3.88Å; F492-Y512 HydrophobicContact CD2-CG 3.88Å; F492-H529 HydrophobicContact CD1-CB 4.19Å; F492-L530 HydrophobicContact CB-CB 4.11Å; F492-L530 HydrophobicContact CD1-CB 4.12Å; F492-L530 HydrophobicContact CD2-CD1 4.03Å; F492-L530 HydrophobicContact CE2-CD1 4.05Å; F492-L530 HydrophobicContact CG-CB 3.98Å; F492-L530 HydrophobicContact CG-CD1 4.31Å; F492-L530 HydrophobicContact CZ-CD1 4.31Å; F492-F533 HydrophobicContact CE1-CB 3.69Å; F492-F533 HydrophobicContact CE1-CD1 4.25Å; F492-F533 AromaticContact CE1-CG 3.94Å; F492-F533 HydrophobicContact CE1-CG 3.94Å; F492-F533 HydrophobicContact CZ-CB 4.1Å; F492-F533 AromaticContact CZ-CD1 3.76Å; F492-F533 HydrophobicContact CZ-CD1 3.76Å; F492-F533 HydrophobicContact CZ-CE1 4.31Å; F492-F533 AromaticContact CZ-CG 3.86Å; F492-F533 HydrophobicContact CZ-CG 3.86Å
493P91.8Very high86.4Confident30 Ų3058 Ų5820%0.19531%0.308CS..PPolyproline II helixtrans-55.1138.9177-27.136.5000112.8E502 Q504P493-E502 HydrophobicContact CB-CB 4.41Å; P493-Q504 HydrophobicContact CB-CG 4.47Å; P493-Q504 PolarHBondContact O-NE2 3.36Å
494I92.1Very high86.2Confident7 Ų755.8 Ų55.84%0.03630%0.297CS..PPolyproline II helixtrans-78.5150.3178.6-63.5173.9000109.6R258 E297R258-I494 HydrophobicContact CB-CD1 4.24Å; E297-I494 HydrophobicContact CB-CG2 4.2Å; E297-I494 HydrophobicContact CG-CG2 4.06Å
495E90.9Very high86.1Confident7 Ų752.7 Ų52.73%0.03329%0.289CS..THydrogen-bonded Turntrans-62.4155.5178.5-56.171.4-152.800112.3Y296 R497 Q504 H529 L532Y296-E495 HydrophobicContact CE2-CB 4.34Å; Y296-E495 HydrophobicContact CE2-CG 4.03Å; E495-R497 VanDerWaalsContact C-N 3.26Å; E495-R497 PolarHBondContact O-N 2.88Å; E495-Q504 VanDerWaalsContact CD-NE2 3.33Å; E495-Q504 PolarHBondContact OE1-NE2 2.76Å; E495-H529 VanDerWaalsContact OE1-CA 3.27Å; E495-H529 WeakPolarHBondContact OE1-CA 3.06Å; E495-H529 VanDerWaalsContact OE1-CB 3.28Å; E495-H529 WeakPolarHBondContact OE1-CB 3.26Å; E495-H529 IonicContact OE1-CG 2.63Å; E495-H529 IonicContact OE1-ND1 3.4Å; E495-H529 PolarHBondContact OE1-ND1 2.93Å; E495-H529 IonicContact OE2-CE1 3.61Å; E495-H529 IonicContact OE2-CG 3.11Å; E495-H529 IonicContact OE2-ND1 2.84Å; E495-H529 PolarHBondContact OE2-ND1 3.37Å; E495-L532 HydrophobicContact CG-CD2 4Å
496N91.5Very high85.9Confident51 Ų5152.3 Ų52.327%0.27329%0.285SS..THydrogen-bonded Turntrans59.131.3167.3-53.9-48000114.4R270 E297 P299R270-N496 PolarHBondContact NH2-O 2.66Å; E297-N496 PolarHBondContact O-ND2 3.39Å; P299-N496 WeakPolarHBondContact CD-ND2 3.1Å
497R91.4Very high85.8Confident5 Ų555.6 Ų55.62%0.01930%0.3CS..BIsolated β-bridgetrans-113.332.6178.4-69.7-169.4176.4-168.7-0.4113.3R258 F262 E297 E495 I499 L500 E502R258-R497 PolarHBondContact O-NH2 3.4Å; F262-R497 HydrophobicContact CD2-CG 3.97Å; F262-R497 HydrophobicContact CE2-CG 4.31Å; E297-R497 IonicContact OE1-CZ 2.71Å; E297-R497 IonicContact OE1-NE 3.5Å; E297-R497 PolarHBondContact OE1-NE 3.47Å; E297-R497 IonicContact OE1-NH2 3.93Å; E297-R497 PolarHBondContact OE1-NH2 3.41Å; E297-R497 IonicContact OE2-CZ 2.71Å; E297-R497 IonicContact OE2-NE 3.47Å; E297-R497 PolarHBondContact OE2-NE 2.71Å; E297-R497 IonicContact OE2-NH2 3.59Å; E495-R497 VanDerWaalsContact C-N 3.26Å; E495-R497 PolarHBondContact O-N 2.88Å; R497-I499 PolarHBondContact O-N 2.72Å; R497-L500 WeakPolarHBondContact O-CB 3.43Å; R497-L500 PolarHBondContact O-N 2.78Å; R497-E502 HydrophobicContact CB-CB 3.99Å; R497-E502 VanDerWaalsContact CD-OE2 3.24Å; R497-E502 WeakPolarHBondContact CD-OE2 3.42Å; R497-E502 IonicContact NH1-OE2 2.8Å; R497-E502 PolarHBondContact NH1-OE2 2.77Å
498D84.6Confident86Confident108 Ų10854.2 Ų54.258%0.57829%0.293SS*.G310 helixtrans-56.7-30-177-56.6-36.6000113.4L500 G501D498-L500 PolarHBondContact O-N 3.38Å; D498-G501 PolarHBondContact O-N 2.87Å
499I84Confident86.3Confident141 Ų14153.1 Ų53.172%0.72329%0.285SS*.G310 helixtrans-60.5-29177-56.2168.2000111.9R497R497-I499 PolarHBondContact O-N 2.72Å
500L83.4Confident86.9Confident49 Ų4949.4 Ų49.426%0.25726%0.264SS..G310 helixtrans-88.4-3.6177-71.2175.7000113.3F262 K265 T266 R497 D498 E502F262-L500 HydrophobicContact CD2-CD1 3.67Å; F262-L500 HydrophobicContact CD2-CG 4.43Å; F262-L500 HydrophobicContact CE2-CD1 4.17Å; F262-L500 HydrophobicContact CE2-CG 4.47Å; F262-L500 HydrophobicContact CG-CD1 4.45Å; K265-L500 HydrophobicContact CB-CD1 4.5Å; K265-L500 HydrophobicContact CB-CD2 3.62Å; K265-L500 HydrophobicContact CD-CD1 4.09Å; K265-L500 HydrophobicContact CD-CD2 4.01Å; K265-L500 HydrophobicContact CG-CD2 4.48Å; T266-L500 HydrophobicContact CG2-CD1 4.33Å; T266-L500 HydrophobicContact CG2-CD2 3.44Å; T266-L500 VanDerWaalsContact CG2-CD2 3.44Å; T266-L500 HydrophobicContact CG2-CG 3.89Å; R497-L500 WeakPolarHBondContact O-CB 3.43Å; R497-L500 PolarHBondContact O-N 2.78Å; D498-L500 PolarHBondContact O-N 3.38Å; L500-E502 HydrophobicContact CB-CB 4.4Å; L500-E502 HydrophobicContact CB-CG 4.1Å; L500-E502 PolarHBondContact O-N 3.42Å
501G81.6Confident87.3Confident59 Ų5948 Ų4861%0.60826%0.261SS*.THydrogen-bonded Turntrans70.511.7-167.600000113.5D498 T503D498-G501 PolarHBondContact O-N 2.87Å; G501-T503 VanDerWaalsContact C-N 3.31Å; G501-T503 PolarHBondContact O-N 3.2Å; G501-T503 VanDerWaalsContact O-N 3.14Å
502E83.9Confident87.5Confident40 Ų4041.8 Ų41.819%0.18724%0.237CC..BIsolated β-bridgetrans-84.374.4174.1-70.5178.1-170.400108.8K265 P493 R497 L500K265-E502 IonicContact NZ-OE1 3.27Å; K265-E502 PolarHBondContact NZ-OE1 3.14Å; P493-E502 HydrophobicContact CB-CB 4.41Å; R497-E502 HydrophobicContact CB-CB 3.99Å; R497-E502 VanDerWaalsContact CD-OE2 3.24Å; R497-E502 WeakPolarHBondContact CD-OE2 3.42Å; R497-E502 IonicContact NH1-OE2 2.8Å; R497-E502 PolarHBondContact NH1-OE2 2.77Å; L500-E502 HydrophobicContact CB-CB 4.4Å; L500-E502 HydrophobicContact CB-CG 4.1Å; L500-E502 PolarHBondContact O-N 3.42Å
503T84.3Confident87.3Confident56 Ų5643.5 Ų43.534%0.34425%0.246SC..  trans-89139.1178.753.80000111.2G501 D505 S508G501-T503 VanDerWaalsContact C-N 3.31Å; G501-T503 PolarHBondContact O-N 3.2Å; G501-T503 VanDerWaalsContact O-N 3.14Å; T503-D505 PolarHBondContact O-N 3Å; T503-S508 PolarHBondContact O-OG 2.89Å
504Q86.6Confident87Confident39 Ų3945.7 Ų45.718%0.18226%0.263CS..  trans-87.995.6171-68.8-172-20.200110.3F492 P493 E495 F533F492-Q504 HydrophobicContact CE1-CB 4.44Å; F492-Q504 HydrophobicContact CE1-CG 3.85Å; F492-Q504 HydrophobicContact CZ-CG 4.39Å; P493-Q504 HydrophobicContact CB-CG 4.47Å; P493-Q504 PolarHBondContact O-NE2 3.36Å; E495-Q504 VanDerWaalsContact CD-NE2 3.33Å; E495-Q504 PolarHBondContact OE1-NE2 2.76Å; Q504-F533 HydrophobicContact CB-CD2 3.65Å; Q504-F533 HydrophobicContact CB-CE2 3.93Å; Q504-F533 HydrophobicContact CB-CG 4.47Å; Q504-F533 HydrophobicContact CG-CD2 4.49Å; Q504-F533 VanDerWaalsContact O-CE2 3.29Å; Q504-F533 WeakPolarHBondContact O-CE2 3.41Å
505D86.4Confident86.5Confident63 Ų6350.5 Ų50.534%0.33729%0.285SS..SBendtrans-133.6171.3177.470.8-17.3000112.2T503 H507 S508 L509T503-D505 PolarHBondContact O-N 3Å; D505-H507 PolarHBondContact O-N 2.61Å; D505-H507 WeakPolarHBondContact OD2-CB 3.36Å; D505-S508 PolarHBondContact O-N 3.47Å; D505-S508 VanDerWaalsContact O-N 3.17Å; D505-S508 WeakPolarHBondContact OD1-CB 3.47Å; D505-S508 PolarHBondContact OD1-N 3.04Å; D505-S508 PolarHBondContact OD1-OG 3.26Å; D505-L509 PolarHBondContact O-N 3.49Å
506F85.4Confident85.8Confident27 Ų2750.4 Ų50.412%0.11829%0.285CS..Hα-helixtrans-63.4-24.1178.1-78.8-80.7000113L509 A510 N537 V539 L576 V580F506-L509 HydrophobicContact CD1-CD2 4.25Å; F506-A510 VanDerWaalsContact O-CB 3.31Å; F506-A510 WeakPolarHBondContact O-CB 3.39Å; F506-A510 PolarHBondContact O-N 2.83Å; F506-N537 WeakPolarHBondContact CE2-ND2 3.26Å; F506-N537 WeakPolarHBondContact CZ-ND2 3.34Å; F506-V539 HydrophobicContact CE2-CB 3.66Å; F506-V539 HydrophobicContact CE2-CG1 3.8Å; F506-V539 HydrophobicContact CE2-CG2 3.86Å; F506-V539 HydrophobicContact CZ-CB 4.15Å; F506-V539 HydrophobicContact CZ-CG1 4.17Å; F506-L576 HydrophobicContact CD1-CB 4.06Å; F506-L576 HydrophobicContact CE1-CB 4Å; F506-L576 HydrophobicContact CE1-CD1 3.86Å; F506-L576 HydrophobicContact CZ-CD1 3.81Å; F506-V580 HydrophobicContact CB-CB 4.47Å; F506-V580 HydrophobicContact CB-CG2 4.09Å
507H87.3Confident84.7Confident97 Ų9753.3 Ų53.345%0.44931%0.309SS..Hα-helixtrans-68-45.6173.8-176.272.2000111.1D505 L509 A510 T511 V580D505-H507 PolarHBondContact O-N 2.61Å; D505-H507 WeakPolarHBondContact OD2-CB 3.36Å; H507-L509 VanDerWaalsContact C-N 3.33Å; H507-L509 PolarHBondContact O-N 3.48Å; H507-A510 PolarHBondContact O-N 2.81Å; H507-T511 WeakPolarHBondContact O-CB 3.26Å; H507-T511 PolarHBondContact O-N 3.22Å; H507-T511 PolarHBondContact O-OG1 3.29Å; H507-V580 HydrophobicContact CB-CG1 3.84Å
508S88.5Confident83.5Confident24 Ų2458.7 Ų58.717%0.16835%0.348CS..Hα-helixtrans-64.2-38.9174.5-59.90000111.6T503 D505 T511 Y512T503-S508 PolarHBondContact O-OG 2.89Å; D505-S508 PolarHBondContact O-N 3.47Å; D505-S508 VanDerWaalsContact O-N 3.17Å; D505-S508 WeakPolarHBondContact OD1-CB 3.47Å; D505-S508 PolarHBondContact OD1-N 3.04Å; D505-S508 PolarHBondContact OD1-OG 3.26Å; S508-T511 PolarHBondContact O-N 3Å; S508-Y512 VanDerWaalsContact O-CB 3.25Å; S508-Y512 WeakPolarHBondContact O-CB 3.49Å; S508-Y512 PolarHBondContact O-N 3.32Å
509L88.9Confident83Confident1 Ų155 Ų551%0.00533%0.333CS..Hα-helixtrans-62.6-46.8172.5-178.562.6000112.2F492 D505 F506 H507 T511 Y512 L513 L530 F533 I573F492-L509 HydrophobicContact CE2-CB 4.33Å; F492-L509 HydrophobicContact CE2-CD1 4.19Å; D505-L509 PolarHBondContact O-N 3.49Å; F506-L509 HydrophobicContact CD1-CD2 4.25Å; H507-L509 VanDerWaalsContact C-N 3.33Å; H507-L509 PolarHBondContact O-N 3.48Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 3.16Å; L509-Y512 PolarHBondContact O-N 3.44Å; L509-L513 HydrophobicContact CD1-CD1 4.15Å; L509-L513 HydrophobicContact CD1-CG 4.11Å; L509-L513 HydrophobicContact CG-CD1 4.02Å; L509-L513 HydrophobicContact CG-CG 4.38Å; L509-L513 WeakPolarHBondContact O-CB 3.31Å; L509-L513 VanDerWaalsContact O-CG 3.29Å; L509-L513 WeakPolarHBondContact O-CG 3.42Å; L509-L513 PolarHBondContact O-N 3.01Å; L509-L530 HydrophobicContact CD1-CD1 3.44Å; L509-L530 VanDerWaalsContact CD1-CD1 3.44Å; L509-F533 HydrophobicContact CB-CE1 4.19Å; L509-F533 HydrophobicContact CD2-CE1 4.03Å; L509-I573 HydrophobicContact CD2-CG2 3.68Å
510A87.6Confident83Confident17 Ų1750.9 Ų50.914%0.1432%0.316CS..Hα-helixtrans-61.5-42.517800000111.5F506 H507 L513 S514 C577F506-A510 VanDerWaalsContact O-CB 3.31Å; F506-A510 WeakPolarHBondContact O-CB 3.39Å; F506-A510 PolarHBondContact O-N 2.83Å; H507-A510 PolarHBondContact O-N 2.81Å; A510-L513 PolarHBondContact O-N 2.89Å; A510-S514 WeakPolarHBondContact O-CB 3.26Å; A510-S514 PolarHBondContact O-N 2.96Å; A510-C577 HydrophobicContact CB-CB 3.83Å
511T88.3Confident83.1Confident50 Ų5049 Ų4931%0.30731%0.306SS..Hα-helixtrans-61.7-48.2175.7-58.60000110.9H507 S508 L509 L513 S514 Q515H507-T511 WeakPolarHBondContact O-CB 3.26Å; H507-T511 PolarHBondContact O-N 3.22Å; H507-T511 PolarHBondContact O-OG1 3.29Å; S508-T511 PolarHBondContact O-N 3Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 3.16Å; T511-L513 PolarHBondContact O-N 3.33Å; T511-S514 PolarHBondContact O-N 2.79Å; T511-S514 PolarHBondContact O-OG 3.09Å; T511-Q515 WeakPolarHBondContact O-CG 3.2Å; T511-Q515 PolarHBondContact O-N 3.35Å; T511-Q515 VanDerWaalsContact O-N 3.1Å
512Y88.9Confident83.3Confident4 Ų446.9 Ų46.92%0.01628%0.281CS..Hα-helixtrans-58.4-48.9176.8175.3-98.2000112.2S488 Q490 F492 S508 L509 S514 Q515 C516 I524 L530S488-Y512 PolarHBondContact OG-OH 2.88Å; Q490-Y512 HydrophobicContact CB-CD2 4.27Å; Q490-Y512 HydrophobicContact CB-CE2 3.67Å; F492-Y512 HydrophobicContact CB-CD2 4.22Å; F492-Y512 HydrophobicContact CB-CE2 4.15Å; F492-Y512 HydrophobicContact CD2-CD1 4.17Å; F492-Y512 HydrophobicContact CD2-CD2 4.21Å; F492-Y512 AromaticContact CD2-CG 3.88Å; F492-Y512 HydrophobicContact CD2-CG 3.88Å; S508-Y512 VanDerWaalsContact O-CB 3.25Å; S508-Y512 WeakPolarHBondContact O-CB 3.49Å; S508-Y512 PolarHBondContact O-N 3.32Å; L509-Y512 PolarHBondContact O-N 3.44Å; Y512-S514 VanDerWaalsContact C-N 3.32Å; Y512-S514 PolarHBondContact O-N 3.31Å; Y512-Q515 PolarHBondContact O-N 2.75Å; Y512-C516 PolarHBondContact O-N 2.83Å; Y512-C516 PolarHBondContact O-SG 3.32Å; Y512-I524 HydrophobicContact CD1-CG2 4.39Å; Y512-I524 HydrophobicContact CE1-CG2 3.57Å; Y512-I524 PolarHBondContact OH-O 3.11Å; Y512-L530 HydrophobicContact CD1-CD2 4.35Å; Y512-L530 HydrophobicContact CE1-CD2 3.66Å
513L86.7Confident83.5Confident38 Ų3846.1 Ų46.120%0.19928%0.277CS..Hα-helixtrans-63-36.9177.9-68.3176000112.3L509 A510 T511 C516 I524 W570L509-L513 HydrophobicContact CD1-CD1 4.15Å; L509-L513 HydrophobicContact CD1-CG 4.11Å; L509-L513 HydrophobicContact CG-CD1 4.02Å; L509-L513 HydrophobicContact CG-CG 4.38Å; L509-L513 WeakPolarHBondContact O-CB 3.31Å; L509-L513 VanDerWaalsContact O-CG 3.29Å; L509-L513 WeakPolarHBondContact O-CG 3.42Å; L509-L513 PolarHBondContact O-N 3.01Å; A510-L513 PolarHBondContact O-N 2.89Å; T511-L513 PolarHBondContact O-N 3.33Å; L513-C516 PolarHBondContact O-N 2.8Å; L513-I524 HydrophobicContact CD2-CG2 3.8Å; L513-W570 HydrophobicContact CD1-CH2 4.28Å; L513-W570 HydrophobicContact CD1-CZ2 4.19Å; L513-W570 HydrophobicContact CD2-CH2 4.1Å; L513-W570 HydrophobicContact CD2-CZ2 4.08Å
514S84.8Confident83.5Confident77 Ų7744.2 Ų44.254%0.53827%0.265SS..Hα-helixtrans-66.3-36.3177.976.70000113A510 T511 Y512 C516A510-S514 WeakPolarHBondContact O-CB 3.26Å; A510-S514 PolarHBondContact O-N 2.96Å; T511-S514 PolarHBondContact O-N 2.79Å; T511-S514 PolarHBondContact O-OG 3.09Å; Y512-S514 VanDerWaalsContact C-N 3.32Å; Y512-S514 PolarHBondContact O-N 3.31Å; S514-C516 PolarHBondContact O-N 2.82Å
515Q81.2Confident83.6Confident107 Ų10742.3 Ų42.350%0.526%0.256SS..Hα-helixtrans-70.7-23.7178-70.2171.73.700112.1T511 Y512 S517T511-Q515 WeakPolarHBondContact O-CG 3.2Å; T511-Q515 PolarHBondContact O-N 3.35Å; T511-Q515 VanDerWaalsContact O-N 3.1Å; Y512-Q515 PolarHBondContact O-N 2.75Å; Q515-S517 PolarHBondContact O-N 3.38Å
516C77.3Confident83.8Confident5 Ų539.4 Ų39.43%0.03424%0.241CC..THydrogen-bonded Turntrans-92.918.6-176.1-630000114.6Q490 Y512 L513 S514 S518 A519 I524Q490-C516 VanDerWaalsContact CG-SG 3.54Å; Y512-C516 PolarHBondContact O-N 2.83Å; Y512-C516 PolarHBondContact O-SG 3.32Å; L513-C516 PolarHBondContact O-N 2.8Å; S514-C516 PolarHBondContact O-N 2.82Å; C516-S518 PolarHBondContact O-N 2.76Å; C516-A519 PolarHBondContact O-N 3.25Å; C516-A519 VanDerWaalsContact O-N 3.09Å; C516-I524 HydrophobicContact CB-CB 4.47Å; C516-I524 HydrophobicContact CB-CD1 3.5Å; C516-I524 VanDerWaalsContact CB-CD1 3.5Å; C516-I524 HydrophobicContact CB-CG1 3.61Å; C516-I524 HydrophobicContact CB-CG2 4.1Å; C516-I524 WeakPolarHBondContact O-CD1 3.48Å
517S68.2Low84.1Confident113 Ų11338.4 Ų38.479%0.7924%0.237SC*.THydrogen-bonded Turntrans-59.1-18.9-172.956.60000115.9Q515Q515-S517 PolarHBondContact O-N 3.38Å
518S65Low84.4Confident118 Ų11834 Ų3483%0.82522%0.217SC*.THydrogen-bonded Turntrans-103.9-6.9178.656.40000115.1C516C516-S518 PolarHBondContact O-N 2.76Å
519A75.6Confident84.7Confident31 Ų3133.4 Ų33.426%0.25621%0.211SC..SBendtrans-87.7154.8-177.300000112.1C516 D523 I524C516-A519 PolarHBondContact O-N 3.25Å; C516-A519 VanDerWaalsContact O-N 3.09Å; A519-D523 HydrophobicContact CB-CB 4.49Å; A519-I524 HydrophobicContact CB-CD1 4.35Å; A519-I524 HydrophobicContact CB-CG1 3.93Å
520S83.6Confident84.8Confident54 Ų5433.3 Ų33.338%0.37821%0.21SC..  trans-65143.9171.572.70000109.2L522 D523 I524S520-L522 PolarHBondContact O-N 3.43Å; S520-L522 VanDerWaalsContact O-N 3.16Å; S520-D523 WeakPolarHBondContact O-CB 3.3Å; S520-D523 PolarHBondContact O-N 3.19Å; S520-D523 PolarHBondContact OG-N 2.76Å; S520-I524 WeakPolarHBondContact O-CG1 3.32Å; S520-I524 PolarHBondContact O-N 3.25Å
521F85.1Confident85Confident10 Ų1032.5 Ų32.54%0.04420%0.204CC..Hα-helixtrans-56.9-36.7-177.2179.3-108.9000112.4D523 I524 V525 L549 A561 K565 W570F521-D523 VanDerWaalsContact C-N 3.31Å; F521-D523 PolarHBondContact O-N 3.45Å; F521-I524 WeakPolarHBondContact O-CB 3.31Å; F521-I524 PolarHBondContact O-N 3.29Å; F521-V525 HydrophobicContact CD1-CG1 4.45Å; F521-V525 HydrophobicContact CD2-CG1 4.33Å; F521-V525 HydrophobicContact CE1-CG1 3.87Å; F521-V525 HydrophobicContact CE2-CG1 3.74Å; F521-V525 HydrophobicContact CZ-CG1 3.49Å; F521-V525 VanDerWaalsContact CZ-CG1 3.49Å; F521-V525 WeakPolarHBondContact O-CG2 3.11Å; F521-V525 PolarHBondContact O-N 3.26Å; F521-V525 VanDerWaalsContact O-N 3.12Å; F521-L549 HydrophobicContact CE1-CD1 4.46Å; F521-A561 HydrophobicContact CD1-CB 3.97Å; F521-A561 VanDerWaalsContact CD1-O 3.29Å; F521-A561 WeakPolarHBondContact CD1-O 3.23Å; F521-A561 HydrophobicContact CE1-CB 4.44Å; F521-A561 WeakPolarHBondContact CE1-O 3.4Å; F521-K565 HydrophobicContact CB-CD 4.24Å; F521-K565 HydrophobicContact CD1-CB 3.94Å; F521-K565 HydrophobicContact CD1-CD 4.4Å; F521-K565 HydrophobicContact CD2-CD 3.91Å; F521-K565 HydrophobicContact CD2-CG 4.28Å; F521-K565 HydrophobicContact CE1-CB 3.82Å; F521-K565 HydrophobicContact CE2-CB 4.41Å; F521-K565 HydrophobicContact CE2-CD 4.37Å; F521-K565 HydrophobicContact CE2-CG 4.24Å; F521-K565 HydrophobicContact CG-CB 4.3Å; F521-K565 HydrophobicContact CG-CD 3.92Å; F521-K565 HydrophobicContact CG-CG 4.41Å; F521-K565 HydrophobicContact CZ-CB 4.05Å; F521-K565 HydrophobicContact CZ-CG 4.35Å; F521-W570 HydrophobicContact CE2-CD2 4.28Å; F521-W570 AromaticContact CE2-CE2 3.61Å; F521-W570 HydrophobicContact CE2-CH2 4.09Å; F521-W570 AromaticContact CE2-CZ2 3.53Å; F521-W570 HydrophobicContact CE2-CZ2 3.53Å; F521-W570 AromaticContact CE2-NE1 3.93Å; F521-W570 HydrophobicContact CZ-CD2 4.06Å; F521-W570 AromaticContact CZ-CE2 3.87Å; F521-W570 HydrophobicContact CZ-CE3 4.4Å; F521-W570 HydrophobicContact CZ-CH2 4.37Å; F521-W570 HydrophobicContact CZ-CZ2 4.06Å
522L86.5Confident85.2Confident14 Ų1430.3 Ų30.37%0.07319%0.19CC..Hα-helixtrans-59.8-41.4175.6-175.3141.1000111.7S520 I524 V525 S526 N557 E558 A561S520-L522 PolarHBondContact O-N 3.43Å; S520-L522 VanDerWaalsContact O-N 3.16Å; L522-I524 VanDerWaalsContact C-N 3.33Å; L522-I524 PolarHBondContact O-N 3.35Å; L522-V525 WeakPolarHBondContact O-CG2 3.42Å; L522-V525 PolarHBondContact O-N 2.77Å; L522-S526 VanDerWaalsContact O-CB 3.25Å; L522-S526 WeakPolarHBondContact O-CB 3.49Å; L522-S526 PolarHBondContact O-N 3.41Å; L522-S526 PolarHBondContact O-OG 3.35Å; L522-N557 VanDerWaalsContact CD1-C 3.44Å; L522-N557 WeakPolarHBondContact CD1-O 3.45Å; L522-E558 HydrophobicContact CB-CG 4.33Å; L522-E558 HydrophobicContact CD1-CG 4.15Å; L522-A561 HydrophobicContact CB-CB 4.02Å; L522-A561 HydrophobicContact CD1-CB 4.16Å; L522-A561 HydrophobicContact CG-CB 4.44Å
523D86.5Confident85.3Confident23 Ų2330.5 Ų30.512%0.12319%0.191CC..Hα-helixtrans-63.1-42178.4-165.444.2000111.5T487 S488 T489 A519 S520 F521 V525 S526T487-D523 VanDerWaalsContact CB-OD1 3.26Å; T487-D523 WeakPolarHBondContact CB-OD1 3.21Å; T487-D523 PolarHBondContact OG1-OD1 3.19Å; S488-D523 WeakPolarHBondContact CA-O 3.49Å; S488-D523 WeakPolarHBondContact CA-OD1 3.39Å; S488-D523 WeakPolarHBondContact CB-O 3.46Å; S488-D523 PolarHBondContact N-OD1 3.39Å; T489-D523 PolarHBondContact OG1-OD2 3.49Å; T489-D523 VanDerWaalsContact OG1-OD2 3.13Å; A519-D523 HydrophobicContact CB-CB 4.49Å; S520-D523 WeakPolarHBondContact O-CB 3.3Å; S520-D523 PolarHBondContact O-N 3.19Å; S520-D523 PolarHBondContact OG-N 2.76Å; F521-D523 VanDerWaalsContact C-N 3.31Å; F521-D523 PolarHBondContact O-N 3.45Å; D523-V525 PolarHBondContact O-N 3.05Å; D523-S526 PolarHBondContact O-N 3.37Å
524I86.3Confident85.4Confident16 Ų1629 Ų298%0.08218%0.183CC..Hα-helixtrans-62.1-43.3179-55.1177.2000111.7Y512 L513 C516 A519 S520 F521 L522 S526 L530Y512-I524 HydrophobicContact CD1-CG2 4.39Å; Y512-I524 HydrophobicContact CE1-CG2 3.57Å; Y512-I524 PolarHBondContact OH-O 3.11Å; L513-I524 HydrophobicContact CD2-CG2 3.8Å; C516-I524 HydrophobicContact CB-CB 4.47Å; C516-I524 HydrophobicContact CB-CD1 3.5Å; C516-I524 VanDerWaalsContact CB-CD1 3.5Å; C516-I524 HydrophobicContact CB-CG1 3.61Å; C516-I524 HydrophobicContact CB-CG2 4.1Å; C516-I524 WeakPolarHBondContact O-CD1 3.48Å; A519-I524 HydrophobicContact CB-CD1 4.35Å; A519-I524 HydrophobicContact CB-CG1 3.93Å; S520-I524 WeakPolarHBondContact O-CG1 3.32Å; S520-I524 PolarHBondContact O-N 3.25Å; F521-I524 WeakPolarHBondContact O-CB 3.31Å; F521-I524 PolarHBondContact O-N 3.29Å; L522-I524 VanDerWaalsContact C-N 3.33Å; L522-I524 PolarHBondContact O-N 3.35Å; I524-S526 VanDerWaalsContact C-N 3.3Å; I524-L530 VanDerWaalsContact O-CD2 3.28Å; I524-L530 WeakPolarHBondContact O-CD2 3.31Å
525V87.6Confident85.5Confident0 Ų025.7 Ų25.70%016%0.159CC..Hα-helixtrans-82.5-11.3-178.3-61.90000113.1F521 L522 D523 D527 L531 L549 V553F521-V525 HydrophobicContact CD1-CG1 4.45Å; F521-V525 HydrophobicContact CD2-CG1 4.33Å; F521-V525 HydrophobicContact CE1-CG1 3.87Å; F521-V525 HydrophobicContact CE2-CG1 3.74Å; F521-V525 HydrophobicContact CZ-CG1 3.49Å; F521-V525 VanDerWaalsContact CZ-CG1 3.49Å; F521-V525 WeakPolarHBondContact O-CG2 3.11Å; F521-V525 PolarHBondContact O-N 3.26Å; F521-V525 VanDerWaalsContact O-N 3.12Å; L522-V525 WeakPolarHBondContact O-CG2 3.42Å; L522-V525 PolarHBondContact O-N 2.77Å; D523-V525 PolarHBondContact O-N 3.05Å; V525-D527 PolarHBondContact O-N 2.88Å; V525-L531 WeakPolarHBondContact O-CG 3.39Å; V525-L549 HydrophobicContact CB-CD1 4Å; V525-L549 HydrophobicContact CB-CD2 4.5Å; V525-L549 HydrophobicContact CG1-CD1 4.19Å; V525-L549 HydrophobicContact CG2-CD1 3.73Å; V525-V553 HydrophobicContact CG2-CG2 4.14Å
526S90.9Very high85.7Confident2 Ų221.4 Ų21.41%0.01414%0.141CC..  trans-82.649.4-179.6-63.30000111.9F486 T487 S488 L522 D523 I524F486-S526 CarbonylContact C-O 3.42Å; F486-S526 WeakPolarHBondContact CA-O 3.18Å; F486-S526 VanDerWaalsContact CB-O 3.27Å; F486-S526 WeakPolarHBondContact CB-O 3.3Å; T487-S526 PolarHBondContact N-O 2.83Å; S488-S526 VanDerWaalsContact CB-O 3.26Å; S488-S526 WeakPolarHBondContact CB-O 3.28Å; S488-S526 PolarHBondContact N-O 3.06Å; L522-S526 VanDerWaalsContact O-CB 3.25Å; L522-S526 WeakPolarHBondContact O-CB 3.49Å; L522-S526 PolarHBondContact O-N 3.41Å; L522-S526 PolarHBondContact O-OG 3.35Å; D523-S526 PolarHBondContact O-N 3.37Å; I524-S526 VanDerWaalsContact C-N 3.3Å
527D92.1Very high86Confident6 Ų622.3 Ų22.33%0.03215%0.145CC..  trans-123.1127.4168.3-178.1-67.7000109R258 V525 H529 L530 L531R258-D527 IonicContact CZ-OD2 2.97Å; R258-D527 IonicContact NH1-OD2 2.65Å; R258-D527 PolarHBondContact NH1-OD2 3.13Å; R258-D527 IonicContact NH2-OD2 3.36Å; V525-D527 PolarHBondContact O-N 2.88Å; D527-H529 VanDerWaalsContact C-N 3.33Å; D527-H529 PolarHBondContact O-N 3.01Å; D527-H529 WeakPolarHBondContact OD1-CA 3.36Å; D527-H529 WeakPolarHBondContact OD1-CB 3.5Å; D527-H529 IonicContact OD1-CD2 2.7Å; D527-H529 IonicContact OD1-CG 2.99Å; D527-H529 PolarHBondContact OD1-N 2.89Å; D527-L530 HydrophobicContact CB-CB 4.01Å; D527-L530 PolarHBondContact O-N 2.77Å; D527-L530 PolarHBondContact OD1-N 2.89Å; D527-L530 VanDerWaalsContact OD1-N 3.09Å; D527-L531 WeakPolarHBondContact O-CG 3.43Å; D527-L531 PolarHBondContact O-N 3.07Å
528F93.5Very high86.4Confident5 Ų525.2 Ų25.22%0.02215%0.146CC..Hα-helixtrans-60-40.7-176.6-179.4-107.4000113.3Y275 A294 V318 L325 F486 L531 L532Y275-F528 HydrophobicContact CD2-CZ 4.22Å; Y275-F528 HydrophobicContact CG-CZ 4.28Å; A294-F528 HydrophobicContact CB-CB 3.9Å; A294-F528 HydrophobicContact CB-CD1 3.68Å; A294-F528 HydrophobicContact CB-CD2 4.22Å; A294-F528 HydrophobicContact CB-CE1 4.25Å; A294-F528 HydrophobicContact CB-CG 3.66Å; V318-F528 HydrophobicContact CG1-CZ 4.15Å; L325-F528 HydrophobicContact CD1-CD2 4.35Å; F486-F528 HydrophobicContact CD1-CB 4.34Å; F486-F528 HydrophobicContact CD2-CB 4.11Å; F486-F528 HydrophobicContact CE1-CB 4.01Å; F486-F528 HydrophobicContact CE1-CD2 4.31Å; F486-F528 HydrophobicContact CE2-CB 3.77Å; F486-F528 HydrophobicContact CE2-CD2 4.09Å; F486-F528 HydrophobicContact CE2-CG 4.22Å; F486-F528 HydrophobicContact CG-CB 4.39Å; F486-F528 HydrophobicContact CZ-CB 3.72Å; F486-F528 AromaticContact CZ-CD2 3.6Å; F486-F528 HydrophobicContact CZ-CD2 3.6Å; F486-F528 HydrophobicContact CZ-CG 4.07Å; F528-L531 PolarHBondContact O-N 3.38Å; F528-L532 WeakPolarHBondContact O-CB 3.22Å; F528-L532 PolarHBondContact O-N 3.13Å
529H93.4Very high86.9Confident10 Ų1024.2 Ų24.25%0.04614%0.135CC..Hα-helixtrans-73.8-35.2-177.1-57.6-84.7000111.1R258 I295 F492 E495 D527 L532 F533R258-H529 PolarHBondContact NH2-CD2 2.72Å; R258-H529 PolarHBondContact NH2-NE2 3.42Å; I295-H529 PolarHBondContact O-CE1 3.42Å; F492-H529 HydrophobicContact CD1-CB 4.19Å; E495-H529 VanDerWaalsContact OE1-CA 3.27Å; E495-H529 WeakPolarHBondContact OE1-CA 3.06Å; E495-H529 VanDerWaalsContact OE1-CB 3.28Å; E495-H529 WeakPolarHBondContact OE1-CB 3.26Å; E495-H529 IonicContact OE1-CG 2.63Å; E495-H529 IonicContact OE1-ND1 3.4Å; E495-H529 PolarHBondContact OE1-ND1 2.93Å; E495-H529 IonicContact OE2-CE1 3.61Å; E495-H529 IonicContact OE2-CG 3.11Å; E495-H529 IonicContact OE2-ND1 2.84Å; E495-H529 PolarHBondContact OE2-ND1 3.37Å; D527-H529 VanDerWaalsContact C-N 3.33Å; D527-H529 PolarHBondContact O-N 3.01Å; D527-H529 WeakPolarHBondContact OD1-CA 3.36Å; D527-H529 WeakPolarHBondContact OD1-CB 3.5Å; D527-H529 IonicContact OD1-CD2 2.7Å; D527-H529 IonicContact OD1-CG 2.99Å; D527-H529 PolarHBondContact OD1-N 2.89Å; H529-L532 PolarHBondContact O-N 3.23Å; H529-F533 WeakPolarHBondContact O-CB 3.31Å; H529-F533 PolarHBondContact O-N 3.05Å
530L92.1Very high86.8Confident0 Ų024.9 Ų24.90%013%0.134CC..Hα-helixtrans-62.7-48.6171.2175.962.2000111.4F492 L509 Y512 I524 D527 L532 F533 L534F492-L530 HydrophobicContact CB-CB 4.11Å; F492-L530 HydrophobicContact CD1-CB 4.12Å; F492-L530 HydrophobicContact CD2-CD1 4.03Å; F492-L530 HydrophobicContact CE2-CD1 4.05Å; F492-L530 HydrophobicContact CG-CB 3.98Å; F492-L530 HydrophobicContact CG-CD1 4.31Å; F492-L530 HydrophobicContact CZ-CD1 4.31Å; L509-L530 HydrophobicContact CD1-CD1 3.44Å; L509-L530 VanDerWaalsContact CD1-CD1 3.44Å; Y512-L530 HydrophobicContact CD1-CD2 4.35Å; Y512-L530 HydrophobicContact CE1-CD2 3.66Å; I524-L530 VanDerWaalsContact O-CD2 3.28Å; I524-L530 WeakPolarHBondContact O-CD2 3.31Å; D527-L530 HydrophobicContact CB-CB 4.01Å; D527-L530 PolarHBondContact O-N 2.77Å; D527-L530 PolarHBondContact OD1-N 2.89Å; D527-L530 VanDerWaalsContact OD1-N 3.09Å; L530-L532 PolarHBondContact O-N 3.34Å; L530-F533 WeakPolarHBondContact O-CB 3.49Å; L530-F533 PolarHBondContact O-N 2.95Å; L530-L534 HydrophobicContact CD1-CG 4.36Å; L530-L534 HydrophobicContact CG-CD1 4.48Å; L530-L534 WeakPolarHBondContact O-CG 3.46Å; L530-L534 PolarHBondContact O-N 2.77Å
531L91.8Very high86.3Confident0 Ų026.6 Ų26.60%014%0.143CC..Hα-helixtrans-59.3-39.2178.3-68.5172.9000111.3L325 F486 V525 D527 F528 L534 V535 L549 L550 V553L325-L531 HydrophobicContact CD1-CD1 4.15Å; L325-L531 HydrophobicContact CD2-CD1 4.37Å; F486-L531 HydrophobicContact CE1-CD1 4.25Å; V525-L531 WeakPolarHBondContact O-CG 3.39Å; D527-L531 WeakPolarHBondContact O-CG 3.43Å; D527-L531 PolarHBondContact O-N 3.07Å; F528-L531 PolarHBondContact O-N 3.38Å; L531-L534 PolarHBondContact O-N 3.4Å; L531-V535 PolarHBondContact O-N 3.13Å; L531-L549 HydrophobicContact CD2-CD2 3.69Å; L531-L549 HydrophobicContact CD2-CG 4.05Å; L531-L550 HydrophobicContact CB-CD2 4.48Å; L531-L550 HydrophobicContact CD1-CD2 4.16Å; L531-L550 HydrophobicContact CD2-CD2 4.19Å; L531-V553 HydrophobicContact CD1-CG1 4.27Å; L531-V553 HydrophobicContact CD1-CG2 4.25Å
532L91.4Very high86.1Confident3 Ų326.4 Ų26.42%0.01614%0.143CC..Hα-helixtrans-67.5-42176.3-176.560.7000112.2Y296 V318 I321 E495 F528 H529 L530 L534 V535 T536Y296-L532 HydrophobicContact CD2-CD2 3.54Å; Y296-L532 HydrophobicContact CE2-CD2 3.33Å; V318-L532 HydrophobicContact CB-CD1 4.12Å; V318-L532 HydrophobicContact CG1-CD1 4.36Å; V318-L532 HydrophobicContact CG1-CD2 4.35Å; V318-L532 HydrophobicContact CG2-CD1 3.51Å; V318-L532 HydrophobicContact CG2-CD2 3.81Å; V318-L532 HydrophobicContact CG2-CG 4.31Å; I321-L532 HydrophobicContact CD1-CD1 3.75Å; E495-L532 HydrophobicContact CG-CD2 4Å; F528-L532 WeakPolarHBondContact O-CB 3.22Å; F528-L532 PolarHBondContact O-N 3.13Å; H529-L532 PolarHBondContact O-N 3.23Å; L530-L532 PolarHBondContact O-N 3.34Å; L532-L534 VanDerWaalsContact C-N 3.34Å; L532-L534 PolarHBondContact O-N 3.25Å; L532-V535 PolarHBondContact O-N 2.81Å; L532-T536 HydrophobicContact CD1-CG2 3.54Å; L532-T536 HydrophobicContact CG-CG2 4.07Å; L532-T536 WeakPolarHBondContact O-CB 3.24Å; L532-T536 WeakPolarHBondContact O-CG2 3.35Å; L532-T536 PolarHBondContact O-N 2.87Å; L532-T536 PolarHBondContact O-OG1 3.4Å
533F91.1Very high85.6Confident9 Ų931.4 Ų31.44%0.03916%0.161CC..Hα-helixtrans-58-46174.7174.3-108.9000111.5F492 Q504 L509 H529 L530 V535 T536 N537F492-F533 HydrophobicContact CE1-CB 3.69Å; F492-F533 HydrophobicContact CE1-CD1 4.25Å; F492-F533 AromaticContact CE1-CG 3.94Å; F492-F533 HydrophobicContact CE1-CG 3.94Å; F492-F533 HydrophobicContact CZ-CB 4.1Å; F492-F533 AromaticContact CZ-CD1 3.76Å; F492-F533 HydrophobicContact CZ-CD1 3.76Å; F492-F533 HydrophobicContact CZ-CE1 4.31Å; F492-F533 AromaticContact CZ-CG 3.86Å; F492-F533 HydrophobicContact CZ-CG 3.86Å; Q504-F533 HydrophobicContact CB-CD2 3.65Å; Q504-F533 HydrophobicContact CB-CE2 3.93Å; Q504-F533 HydrophobicContact CB-CG 4.47Å; Q504-F533 HydrophobicContact CG-CD2 4.49Å; Q504-F533 VanDerWaalsContact O-CE2 3.29Å; Q504-F533 WeakPolarHBondContact O-CE2 3.41Å; L509-F533 HydrophobicContact CB-CE1 4.19Å; L509-F533 HydrophobicContact CD2-CE1 4.03Å; H529-F533 WeakPolarHBondContact O-CB 3.31Å; H529-F533 PolarHBondContact O-N 3.05Å; L530-F533 WeakPolarHBondContact O-CB 3.49Å; L530-F533 PolarHBondContact O-N 2.95Å; F533-V535 PolarHBondContact O-N 2.95Å; F533-V535 VanDerWaalsContact O-N 3.14Å; F533-T536 PolarHBondContact O-N 2.99Å; F533-N537 HydrophobicContact CD2-CB 4.43Å; F533-N537 HydrophobicContact CE2-CB 4.16Å; F533-N537 HydrophobicContact CZ-CB 4.37Å; F533-N537 WeakPolarHBondContact CZ-ND2 3.32Å; F533-N537 WeakPolarHBondContact O-CB 3.48Å; F533-N537 PolarHBondContact O-N 2.77Å
534L88.9Confident85.2Confident6 Ų638 Ų383%0.03120%0.196CC..Hα-helixtrans-59.8-27.6179.5-68.5178.1000113.7L530 L531 L532 L542 I546 L549 W570 I573L530-L534 HydrophobicContact CD1-CG 4.36Å; L530-L534 HydrophobicContact CG-CD1 4.48Å; L530-L534 WeakPolarHBondContact O-CG 3.46Å; L530-L534 PolarHBondContact O-N 2.77Å; L531-L534 PolarHBondContact O-N 3.4Å; L532-L534 VanDerWaalsContact C-N 3.34Å; L532-L534 PolarHBondContact O-N 3.25Å; L534-L542 PolarHBondContact O-N 3.36Å; L534-I546 HydrophobicContact CB-CD1 3.97Å; L534-L549 HydrophobicContact CD1-CD2 4.07Å; L534-W570 HydrophobicContact CD1-CZ3 4.37Å; L534-I573 HydrophobicContact CD2-CD1 3.75Å
535V87.7Confident85Confident7 Ų738.9 Ų38.94%0.04220%0.203CC..Hα-helixtrans-92.8-36.8179.3-179.80000112.7I321 L531 L532 F533 R543 I546I321-V535 HydrophobicContact CD1-CB 3.44Å; I321-V535 VanDerWaalsContact CD1-CB 3.44Å; I321-V535 HydrophobicContact CD1-CG1 3.59Å; I321-V535 HydrophobicContact CD1-CG2 3.56Å; I321-V535 HydrophobicContact CG1-CB 4.33Å; I321-V535 HydrophobicContact CG1-CG1 4.19Å; I321-V535 HydrophobicContact CG1-CG2 4.06Å; L531-V535 PolarHBondContact O-N 3.13Å; L532-V535 PolarHBondContact O-N 2.81Å; F533-V535 PolarHBondContact O-N 2.95Å; F533-V535 VanDerWaalsContact O-N 3.14Å; V535-R543 HydrophobicContact CG1-CB 3.78Å; V535-R543 HydrophobicContact CG1-CG 3.92Å; V535-I546 HydrophobicContact CG2-CB 4.32Å; V535-I546 HydrophobicContact CG2-CD1 3.37Å; V535-I546 HydrophobicContact CG2-CG1 4.4Å; V535-I546 HydrophobicContact CG2-CG2 3.79Å
536T84.6Confident84.9Confident17 Ų1739 Ų3910%0.10420%0.204CC..Hα-helixtrans-90-9.1-174.160.20000113.7K314 A317 L532 F533 E538K314-T536 HydrophobicContact CB-CG2 4.16Å; K314-T536 HydrophobicContact CD-CG2 4.02Å; K314-T536 HydrophobicContact CG-CG2 4.14Å; A317-T536 HydrophobicContact CB-CG2 4.42Å; L532-T536 HydrophobicContact CD1-CG2 3.54Å; L532-T536 HydrophobicContact CG-CG2 4.07Å; L532-T536 WeakPolarHBondContact O-CB 3.24Å; L532-T536 WeakPolarHBondContact O-CG2 3.35Å; L532-T536 PolarHBondContact O-N 2.87Å; L532-T536 PolarHBondContact O-OG1 3.4Å; F533-T536 PolarHBondContact O-N 2.99Å; T536-E538 PolarHBondContact O-N 3.2Å
537N83.8Confident84.8Confident25 Ų2540.1 Ų40.113%0.13422%0.216CC..  trans-67.3122.7177.9-174.82.8000111.2F506 F533 V539 M540F506-N537 WeakPolarHBondContact CE2-ND2 3.26Å; F506-N537 WeakPolarHBondContact CZ-ND2 3.34Å; F533-N537 HydrophobicContact CD2-CB 4.43Å; F533-N537 HydrophobicContact CE2-CB 4.16Å; F533-N537 HydrophobicContact CZ-CB 4.37Å; F533-N537 WeakPolarHBondContact CZ-ND2 3.32Å; F533-N537 WeakPolarHBondContact O-CB 3.48Å; F533-N537 PolarHBondContact O-N 2.77Å; N537-V539 VanDerWaalsContact C-N 3.28Å; N537-V539 PolarHBondContact O-N 2.95Å; N537-V539 PolarHBondContact OD1-N 3.25Å; N537-M540 CarbonylContact O-C 3.54Å
538E76.1Confident84.5Confident173 Ų17344.3 Ų44.381%0.80824%0.238SC*.SBendtrans-70.8-22.9-175.4-61.6-176.317300113.1T536T536-E538 PolarHBondContact O-N 3.2Å
539V75.4Confident84.3Confident98 Ų9844 Ų4459%0.59424%0.237SC*.SBendtrans-71.1-37.7-177.6-179.10000111.6F506 N537F506-V539 HydrophobicContact CE2-CB 3.66Å; F506-V539 HydrophobicContact CE2-CG1 3.8Å; F506-V539 HydrophobicContact CE2-CG2 3.86Å; F506-V539 HydrophobicContact CZ-CB 4.15Å; F506-V539 HydrophobicContact CZ-CG1 4.17Å; N537-V539 VanDerWaalsContact C-N 3.28Å; N537-V539 PolarHBondContact O-N 2.95Å; N537-V539 PolarHBondContact OD1-N 3.25Å
540M75Confident84.2Confident45 Ų4543.6 Ų43.622%0.22224%0.235CC..SBendtrans-150.182.9178.3-169.1-177.3-167.800109.8N537 L542 Q569 T572 I573N537-M540 CarbonylContact O-C 3.54Å; M540-L542 HydrophobicContact CE-CD2 3.97Å; M540-L542 HydrophobicContact CG-CD2 4.13Å; M540-L542 PolarHBondContact O-N 2.83Å; M540-L542 VanDerWaalsContact O-N 3.12Å; M540-L542 HydrophobicContact SD-CD2 4.22Å; M540-Q569 HydrophobicContact CE-CB 4.44Å; M540-T572 HydrophobicContact CE-CG2 3.86Å; M540-T572 HydrophobicContact SD-CG2 3.76Å; M540-I573 HydrophobicContact SD-CG1 4.35Å
541P73Confident84Confident90 Ų9047.3 Ų47.358%0.58425%0.254SS*.  trans-70.6110.3-17926.9-32.8000110.1R543P541-R543 VanDerWaalsContact C-N 3.28Å; P541-R543 PolarHBondContact O-N 3.49Å
542L79.4Confident83.9Confident6 Ų647.3 Ų47.33%0.03125%0.254CS..  trans-88.513.7-179.6-66.8-179.9000114.1L534 M540 D544 S545 I546 W564 Q569 I573L534-L542 PolarHBondContact O-N 3.36Å; M540-L542 HydrophobicContact CE-CD2 3.97Å; M540-L542 HydrophobicContact CG-CD2 4.13Å; M540-L542 PolarHBondContact O-N 2.83Å; M540-L542 VanDerWaalsContact O-N 3.12Å; M540-L542 HydrophobicContact SD-CD2 4.22Å; L542-D544 PolarHBondContact O-N 2.78Å; L542-S545 PolarHBondContact O-N 2.8Å; L542-S545 PolarHBondContact O-OG 2.9Å; L542-I546 HydrophobicContact CB-CB 4.5Å; L542-I546 WeakPolarHBondContact O-CB 3.48Å; L542-I546 PolarHBondContact O-N 2.75Å; L542-W564 HydrophobicContact CD1-CZ2 4.33Å; L542-Q569 HydrophobicContact CD2-CB 3.85Å; L542-Q569 HydrophobicContact CD2-CG 3.96Å; L542-I573 HydrophobicContact CD1-CD1 3.44Å; L542-I573 VanDerWaalsContact CD1-CD1 3.44Å
543R77.6Confident83.9Confident119 Ų11947.4 Ų47.445%0.44926%0.255SS..THydrogen-bonded Turntrans-47.3-42.4-173.8-169.4176.5176.2-146.75.7114.1E320 V535 P541E320-R543 IonicContact OE2-CZ 3.96Å; E320-R543 IonicContact OE2-NE 3.91Å; E320-R543 PolarHBondContact OE2-NE 3.19Å; E320-R543 IonicContact OE2-NH2 3.7Å; E320-R543 PolarHBondContact OE2-NH2 3.16Å; V535-R543 HydrophobicContact CG1-CB 3.78Å; V535-R543 HydrophobicContact CG1-CG 3.92Å; P541-R543 VanDerWaalsContact C-N 3.28Å; P541-R543 PolarHBondContact O-N 3.49Å
544D77.9Confident83.8Confident162 Ų16252.1 Ų52.187%0.86628%0.276SS*.THydrogen-bonded Turntrans-81.3-23.5-175.9-63-26.4000113.5L542L542-D544 PolarHBondContact O-N 2.78Å
545S81.1Confident83.8Confident33 Ų3356 Ų5623%0.23130%0.299CS..THydrogen-bonded Turntrans-103.4-23.3-174.159.70000113.4L542 G547 W564L542-S545 PolarHBondContact O-N 2.8Å; L542-S545 PolarHBondContact O-OG 2.9Å; S545-G547 PolarHBondContact O-N 3.41Å; S545-W564 VanDerWaalsContact C-CH2 3.45Å; S545-W564 WeakPolarHBondContact O-CH2 3.44Å; S545-W564 WeakPolarHBondContact O-CZ3 3.43Å
546I86.4Confident83.9Confident2 Ų259.5 Ų59.51%0.0133%0.325CS..THydrogen-bonded Turntrans-65.5-10.1-172.8-157.2168.3000114.6L534 V535 L542 L548 L549 L550L534-I546 HydrophobicContact CB-CD1 3.97Å; V535-I546 HydrophobicContact CG2-CB 4.32Å; V535-I546 HydrophobicContact CG2-CD1 3.37Å; V535-I546 HydrophobicContact CG2-CG1 4.4Å; V535-I546 HydrophobicContact CG2-CG2 3.79Å; L542-I546 HydrophobicContact CB-CB 4.5Å; L542-I546 WeakPolarHBondContact O-CB 3.48Å; L542-I546 PolarHBondContact O-N 2.75Å; I546-L548 VanDerWaalsContact C-N 3.26Å; I546-L548 PolarHBondContact O-N 3.25Å; I546-L548 VanDerWaalsContact O-N 3.15Å; I546-L549 HydrophobicContact CD1-CD2 4.31Å; I546-L549 HydrophobicContact CG1-CB 4Å; I546-L549 HydrophobicContact CG1-CD2 4.04Å; I546-L549 WeakPolarHBondContact O-CA 3.43Å; I546-L549 WeakPolarHBondContact O-CB 3.41Å; I546-L549 PolarHBondContact O-N 3.02Å; I546-L550 HydrophobicContact CD1-CD2 4.47Å; I546-L550 HydrophobicContact CG1-CD2 4.44Å; I546-L550 HydrophobicContact CG1-CG 4.26Å; I546-L550 HydrophobicContact CG2-CD1 3.86Å; I546-L550 HydrophobicContact CG2-CG 4.16Å; I546-L550 PolarHBondContact O-N 3.21Å
547G87.4Confident84.1Confident26 Ų2661.4 Ų61.427%0.26833%0.334SS..Hα-helixtrans-50.5-42.7-176.200000113.7S545 L549 L550 D551S545-G547 PolarHBondContact O-N 3.41Å; G547-L549 VanDerWaalsContact C-N 3.33Å; G547-L549 PolarHBondContact O-N 3.39Å; G547-L550 PolarHBondContact O-N 3.32Å; G547-D551 PolarHBondContact O-N 3.39Å
548L87.8Confident84.3Confident94 Ų9465.8 Ų65.849%0.49235%0.354SS..Hα-helixtrans-62.4-37.9177.4-71.5175.2000113I546 A552 W564I546-L548 VanDerWaalsContact C-N 3.26Å; I546-L548 PolarHBondContact O-N 3.25Å; I546-L548 VanDerWaalsContact O-N 3.15Å; L548-A552 WeakPolarHBondContact O-CB 3.12Å; L548-A552 PolarHBondContact O-N 2.8Å; L548-W564 HydrophobicContact CB-CE3 4Å; L548-W564 HydrophobicContact CB-CZ3 4.46Å
549L89.2Confident84.9Confident0 Ų064.8 Ų64.80%035%0.349CS..Hα-helixtrans-69.9-42.5177.6-174.263.5000111.1F521 V525 L531 L534 I546 G547 D551 A552 V553 W564F521-L549 HydrophobicContact CE1-CD1 4.46Å; V525-L549 HydrophobicContact CB-CD1 4Å; V525-L549 HydrophobicContact CB-CD2 4.5Å; V525-L549 HydrophobicContact CG1-CD1 4.19Å; V525-L549 HydrophobicContact CG2-CD1 3.73Å; L531-L549 HydrophobicContact CD2-CD2 3.69Å; L531-L549 HydrophobicContact CD2-CG 4.05Å; L534-L549 HydrophobicContact CD1-CD2 4.07Å; I546-L549 HydrophobicContact CD1-CD2 4.31Å; I546-L549 HydrophobicContact CG1-CB 4Å; I546-L549 HydrophobicContact CG1-CD2 4.04Å; I546-L549 WeakPolarHBondContact O-CA 3.43Å; I546-L549 WeakPolarHBondContact O-CB 3.41Å; I546-L549 PolarHBondContact O-N 3.02Å; G547-L549 VanDerWaalsContact C-N 3.33Å; G547-L549 PolarHBondContact O-N 3.39Å; L549-D551 VanDerWaalsContact C-N 3.34Å; L549-D551 PolarHBondContact O-N 2.84Å; L549-A552 WeakPolarHBondContact O-CB 3.2Å; L549-A552 PolarHBondContact O-N 2.86Å; L549-V553 WeakPolarHBondContact O-CG2 3.37Å; L549-V553 PolarHBondContact O-N 2.96Å; L549-W564 HydrophobicContact CB-CD2 4.01Å; L549-W564 HydrophobicContact CB-CG 4.07Å; L549-W564 HydrophobicContact CD1-CB 4.36Å; L549-W564 HydrophobicContact CD1-CG 3.98Å; L549-W564 HydrophobicContact CG-CG 4.49Å
550L90.1Very high85.5Confident1 Ų162.8 Ų62.81%0.00534%0.335CS..Hα-helixtrans-63.6-40.7177.6-60180000111.4I321 K324 L325 L531 I546 G547 A552 V553 K554I321-L550 HydrophobicContact CG2-CD1 4.1Å; I321-L550 HydrophobicContact CG2-CD2 3.87Å; K324-L550 HydrophobicContact CB-CD1 3.8Å; K324-L550 HydrophobicContact CD-CD1 3.78Å; K324-L550 HydrophobicContact CG-CD1 4.42Å; L325-L550 HydrophobicContact CD1-CD2 4.32Å; L325-L550 HydrophobicContact CD2-CB 4.06Å; L325-L550 HydrophobicContact CD2-CD2 3.92Å; L325-L550 HydrophobicContact CG-CD2 4.08Å; L531-L550 HydrophobicContact CB-CD2 4.48Å; L531-L550 HydrophobicContact CD1-CD2 4.16Å; L531-L550 HydrophobicContact CD2-CD2 4.19Å; I546-L550 HydrophobicContact CD1-CD2 4.47Å; I546-L550 HydrophobicContact CG1-CD2 4.44Å; I546-L550 HydrophobicContact CG1-CG 4.26Å; I546-L550 HydrophobicContact CG2-CD1 3.86Å; I546-L550 HydrophobicContact CG2-CG 4.16Å; I546-L550 PolarHBondContact O-N 3.21Å; G547-L550 PolarHBondContact O-N 3.32Å; L550-A552 VanDerWaalsContact C-N 3.34Å; L550-V553 PolarHBondContact O-N 3.15Å; L550-K554 WeakPolarHBondContact O-CB 3.42Å; L550-K554 PolarHBondContact O-N 2.99Å
551D89Confident86.2Confident77 Ų7760.7 Ų60.741%0.41233%0.325SS..Hα-helixtrans-65.1-38.3174.7-74.5-22.7000111.8G547 L549 K554 T555G547-D551 PolarHBondContact O-N 3.39Å; L549-D551 VanDerWaalsContact C-N 3.34Å; L549-D551 PolarHBondContact O-N 2.84Å; D551-K554 PolarHBondContact O-N 2.87Å; D551-T555 WeakPolarHBondContact O-CB 3.13Å; D551-T555 PolarHBondContact O-N 2.9Å; D551-T555 PolarHBondContact O-OG1 2.83Å
552A89.1Confident86.9Confident0 Ų060.2 Ų60.20%032%0.315CS..Hα-helixtrans-61.7-46.4175.300000111.9L548 L549 L550 S556 N557 L560 A561L548-A552 WeakPolarHBondContact O-CB 3.12Å; L548-A552 PolarHBondContact O-N 2.8Å; L549-A552 WeakPolarHBondContact O-CB 3.2Å; L549-A552 PolarHBondContact O-N 2.86Å; L550-A552 VanDerWaalsContact C-N 3.34Å; A552-S556 CarbonylContact O-C 3.58Å; A552-S556 WeakPolarHBondContact O-CA 3.14Å; A552-S556 PolarHBondContact O-N 3.24Å; A552-N557 PolarHBondContact O-N 2.95Å; A552-L560 HydrophobicContact CB-CB 3.62Å; A552-A561 HydrophobicContact CB-CB 4.11Å
553V90.6Very high87.3Confident6 Ų664 Ų644%0.03634%0.338CS..Hα-helixtrans-65.7-47.1177.6174.10000110.5L325 F486 V525 L531 L549 L550 T555 S556L325-V553 HydrophobicContact CD2-CB 4.24Å; L325-V553 HydrophobicContact CD2-CG1 4.18Å; F486-V553 HydrophobicContact CD1-CG1 4.34Å; F486-V553 HydrophobicContact CE1-CG1 4.28Å; V525-V553 HydrophobicContact CG2-CG2 4.14Å; L531-V553 HydrophobicContact CD1-CG1 4.27Å; L531-V553 HydrophobicContact CD1-CG2 4.25Å; L549-V553 WeakPolarHBondContact O-CG2 3.37Å; L549-V553 PolarHBondContact O-N 2.96Å; L550-V553 PolarHBondContact O-N 3.15Å; V553-T555 VanDerWaalsContact C-N 3.33Å; V553-T555 PolarHBondContact O-N 2.78Å; V553-S556 PolarHBondContact O-N 3.44Å
554K90.1Very high87.8Confident108 Ų10858.7 Ų58.747%0.4732%0.318SS..Hα-helixtrans-60.4-38.1-179.6-178.8-178.4-169.2170.20113.9K324 L550 D551K324-K554 WeakPolarHBondContact O-CD 3.47Å; K324-K554 PolarHBondContact O-NZ 2.82Å; L550-K554 WeakPolarHBondContact O-CB 3.42Å; L550-K554 PolarHBondContact O-N 2.99Å; D551-K554 PolarHBondContact O-N 2.87Å
555T89.4Confident88.3Confident86 Ų8655.1 Ų55.153%0.52830%0.295SS..Hα-helixtrans-96.80.9-179.159.30000113.3D551 V553 N557D551-T555 WeakPolarHBondContact O-CB 3.13Å; D551-T555 PolarHBondContact O-N 2.9Å; D551-T555 PolarHBondContact O-OG1 2.83Å; V553-T555 VanDerWaalsContact C-N 3.33Å; V553-T555 PolarHBondContact O-N 2.78Å; T555-N557 PolarHBondContact O-N 3.1Å; T555-N557 WeakPolarHBondContact OG1-CB 3.39Å
556S88.4Confident88.6Confident82 Ų8262.1 Ų62.157%0.57332%0.321SS*.THydrogen-bonded Turntrans49.739.5-172.6-50.70000112.7A552 V553A552-S556 CarbonylContact O-C 3.58Å; A552-S556 WeakPolarHBondContact O-CA 3.14Å; A552-S556 PolarHBondContact O-N 3.24Å; V553-S556 PolarHBondContact O-N 3.44Å
557N88.9Confident88.7Confident57 Ų5763 Ų6331%0.30533%0.327SS..  trans-97.1106.3-175.3-172.6-22.9000111.7L522 A552 T555 E559 L560 A561L522-N557 VanDerWaalsContact CD1-C 3.44Å; L522-N557 WeakPolarHBondContact CD1-O 3.45Å; A552-N557 PolarHBondContact O-N 2.95Å; T555-N557 PolarHBondContact O-N 3.1Å; T555-N557 WeakPolarHBondContact OG1-CB 3.39Å; N557-E559 VanDerWaalsContact C-N 3.31Å; N557-E559 PolarHBondContact O-N 3.47Å; N557-E559 WeakPolarHBondContact OD1-CB 3.41Å; N557-E559 PolarHBondContact OD1-N 3.16Å; N557-L560 HydrophobicContact CB-CB 4.46Å; N557-L560 HydrophobicContact CB-CD1 4.14Å; N557-L560 HydrophobicContact CB-CG 4.32Å; N557-L560 PolarHBondContact O-N 2.74Å; N557-A561 PolarHBondContact O-N 2.85Å
558E88.4Confident88.7Confident117 Ų11769.5 Ų69.555%0.54735%0.351SS..Hα-helixtrans-63.6-32.1-179.1-65.4-171.2169.500113.6L522 A561 Q562L522-E558 HydrophobicContact CB-CG 4.33Å; L522-E558 HydrophobicContact CD1-CG 4.15Å; E558-A561 PolarHBondContact O-N 2.79Å; E558-Q562 VanDerWaalsContact O-CG 3.3Å; E558-Q562 WeakPolarHBondContact O-CG 3.46Å; E558-Q562 PolarHBondContact O-N 2.79Å
559E89.2Confident88.7Confident151 Ų15168.2 Ų68.271%0.70634%0.342SS*.Hα-helixtrans-67.7-40.4-177.6-60.4-177.5172.700111.6N557 Q562 T563N557-E559 VanDerWaalsContact C-N 3.31Å; N557-E559 PolarHBondContact O-N 3.47Å; N557-E559 WeakPolarHBondContact OD1-CB 3.41Å; N557-E559 PolarHBondContact OD1-N 3.16Å; E559-Q562 PolarHBondContact O-N 3.22Å; E559-T563 WeakPolarHBondContact O-CB 3.48Å; E559-T563 PolarHBondContact O-N 2.98Å; E559-T563 PolarHBondContact O-OG1 2.9Å
560L88.6Confident88.6Confident57 Ų5768.3 Ų68.330%0.29834%0.343SS..Hα-helixtrans-65.6-41.3175.1-68.4179.3000110.8A552 N557 Q562 T563 W564A552-L560 HydrophobicContact CB-CB 3.62Å; N557-L560 HydrophobicContact CB-CB 4.46Å; N557-L560 HydrophobicContact CB-CD1 4.14Å; N557-L560 HydrophobicContact CB-CG 4.32Å; N557-L560 PolarHBondContact O-N 2.74Å; L560-Q562 PolarHBondContact O-N 3.13Å; L560-T563 WeakPolarHBondContact O-CB 3.49Å; L560-T563 PolarHBondContact O-N 2.78Å; L560-W564 PolarHBondContact O-N 2.92Å
561A88.3Confident88.5Confident1 Ų170.7 Ų70.71%0.00836%0.363CS..Hα-helixtrans-62.5-42.6175.600000111.7F521 L522 A552 N557 E558 T563 W564 K565F521-A561 HydrophobicContact CD1-CB 3.97Å; F521-A561 VanDerWaalsContact CD1-O 3.29Å; F521-A561 WeakPolarHBondContact CD1-O 3.23Å; F521-A561 HydrophobicContact CE1-CB 4.44Å; F521-A561 WeakPolarHBondContact CE1-O 3.4Å; L522-A561 HydrophobicContact CB-CB 4.02Å; L522-A561 HydrophobicContact CD1-CB 4.16Å; L522-A561 HydrophobicContact CG-CB 4.44Å; A552-A561 HydrophobicContact CB-CB 4.11Å; N557-A561 PolarHBondContact O-N 2.85Å; E558-A561 PolarHBondContact O-N 2.79Å; A561-T563 VanDerWaalsContact C-N 3.31Å; A561-T563 PolarHBondContact O-N 2.82Å; A561-W564 WeakPolarHBondContact O-CB 3.25Å; A561-W564 PolarHBondContact O-N 2.8Å; A561-K565 PolarHBondContact O-N 3.32Å
562Q87.3Confident88.4Confident80 Ų8069.7 Ų69.737%0.37436%0.359SS..Hα-helixtrans-66.3-33.1175.2-69.3-64.1-17.700112.8E558 E559 L560 K565 K566E558-Q562 VanDerWaalsContact O-CG 3.3Å; E558-Q562 WeakPolarHBondContact O-CG 3.46Å; E558-Q562 PolarHBondContact O-N 2.79Å; E559-Q562 PolarHBondContact O-N 3.22Å; L560-Q562 PolarHBondContact O-N 3.13Å; Q562-K565 PolarHBondContact O-N 2.77Å; Q562-K566 WeakPolarHBondContact O-CG 3.46Å; Q562-K566 PolarHBondContact O-N 2.89Å
563T88.8Confident88.3Confident86 Ų8669.9 Ų69.953%0.52836%0.36SS..Hα-helixtrans-65.4-43.3173.9-57.20000110.4E559 L560 A561 K565 K566E559-T563 WeakPolarHBondContact O-CB 3.48Å; E559-T563 PolarHBondContact O-N 2.98Å; E559-T563 PolarHBondContact O-OG1 2.9Å; L560-T563 WeakPolarHBondContact O-CB 3.49Å; L560-T563 PolarHBondContact O-N 2.78Å; A561-T563 VanDerWaalsContact C-N 3.31Å; A561-T563 PolarHBondContact O-N 2.82Å; T563-K565 PolarHBondContact O-N 2.77Å; T563-K566 PolarHBondContact O-N 2.77Å
564W88.1Confident88.1Confident7 Ų773.7 Ų73.73%0.02738%0.378CS..Hα-helixtrans-61.9-41.4173.9-177.6-99.3000112.7L542 S545 L548 L549 L560 A561 K566 S567 Q569 W570L542-W564 HydrophobicContact CD1-CZ2 4.33Å; S545-W564 VanDerWaalsContact C-CH2 3.45Å; S545-W564 WeakPolarHBondContact O-CH2 3.44Å; S545-W564 WeakPolarHBondContact O-CZ3 3.43Å; L548-W564 HydrophobicContact CB-CE3 4Å; L548-W564 HydrophobicContact CB-CZ3 4.46Å; L549-W564 HydrophobicContact CB-CD2 4.01Å; L549-W564 HydrophobicContact CB-CG 4.07Å; L549-W564 HydrophobicContact CD1-CB 4.36Å; L549-W564 HydrophobicContact CD1-CG 3.98Å; L549-W564 HydrophobicContact CG-CG 4.49Å; L560-W564 PolarHBondContact O-N 2.92Å; A561-W564 WeakPolarHBondContact O-CB 3.25Å; A561-W564 PolarHBondContact O-N 2.8Å; W564-K566 PolarHBondContact O-N 3.25Å; W564-K566 VanDerWaalsContact O-N 3.15Å; W564-S567 WeakPolarHBondContact O-CB 3.43Å; W564-S567 PolarHBondContact O-N 3.26Å; W564-S567 PolarHBondContact O-OG 2.91Å; W564-Q569 HydrophobicContact CH2-CB 4.44Å; W564-Q569 HydrophobicContact CZ2-CB 4.49Å; W564-W570 AromaticContact NE1-CE3 3.98Å
565K87.8Confident87.9Confident87 Ų8775 Ų7538%0.37839%0.385SS..Hα-helixtrans-57.3-30.5176.8-171.6176-179.7174.10113.1F521 A561 Q562 T563 S567 W570F521-K565 HydrophobicContact CB-CD 4.24Å; F521-K565 HydrophobicContact CD1-CB 3.94Å; F521-K565 HydrophobicContact CD1-CD 4.4Å; F521-K565 HydrophobicContact CD2-CD 3.91Å; F521-K565 HydrophobicContact CD2-CG 4.28Å; F521-K565 HydrophobicContact CE1-CB 3.82Å; F521-K565 HydrophobicContact CE2-CB 4.41Å; F521-K565 HydrophobicContact CE2-CD 4.37Å; F521-K565 HydrophobicContact CE2-CG 4.24Å; F521-K565 HydrophobicContact CG-CB 4.3Å; F521-K565 HydrophobicContact CG-CD 3.92Å; F521-K565 HydrophobicContact CG-CG 4.41Å; F521-K565 HydrophobicContact CZ-CB 4.05Å; F521-K565 HydrophobicContact CZ-CG 4.35Å; A561-K565 PolarHBondContact O-N 3.32Å; Q562-K565 PolarHBondContact O-N 2.77Å; T563-K565 PolarHBondContact O-N 2.77Å; K565-S567 VanDerWaalsContact C-N 3.31Å; K565-W570 VanDerWaalsContact O-CD1 3.3Å
566K88.4Confident87.7Confident179 Ų17973.3 Ų73.378%0.77837%0.373SS*.THydrogen-bonded Turntrans-85.1-0.9178-65.6174.2-175.6174.30113.8Q562 T563 W564Q562-K566 WeakPolarHBondContact O-CG 3.46Å; Q562-K566 PolarHBondContact O-N 2.89Å; T563-K566 PolarHBondContact O-N 2.77Å; W564-K566 PolarHBondContact O-N 3.25Å; W564-K566 VanDerWaalsContact O-N 3.15Å
567S89.1Confident87.6Confident20 Ų2069.9 Ų69.914%0.1435%0.349CS..SBendtrans-72.9152.3-178.674.10000112.1W564 K565 Q569 W570 A571W564-S567 WeakPolarHBondContact O-CB 3.43Å; W564-S567 PolarHBondContact O-N 3.26Å; W564-S567 PolarHBondContact O-OG 2.91Å; K565-S567 VanDerWaalsContact C-N 3.31Å; S567-Q569 VanDerWaalsContact CB-OE1 3.27Å; S567-Q569 PolarHBondContact O-N 2.91Å; S567-Q569 PolarHBondContact OG-OE1 2.83Å; S567-W570 PolarHBondContact O-N 3.25Å; S567-W570 PolarHBondContact OG-N 2.81Å; S567-A571 PolarHBondContact O-N 3.1Å
568E86.4Confident87.3Confident164 Ų16471.3 Ų71.377%0.76636%0.363SS*.Hα-helixtrans-63.3-31.5176.7-64.3-177.3171.900111.7A571 T572E568-A571 PolarHBondContact O-N 2.84Å; E568-T572 PolarHBondContact O-N 3.06Å; E568-T572 PolarHBondContact O-OG1 3.32Å
569Q87.5Confident86.8Confident66 Ų6669.8 Ų69.831%0.30836%0.362SS..Hα-helixtrans-62.9-48176.6-63.183.3-3.200110.9M540 L542 W564 S567 T572 I573M540-Q569 HydrophobicContact CE-CB 4.44Å; L542-Q569 HydrophobicContact CD2-CB 3.85Å; L542-Q569 HydrophobicContact CD2-CG 3.96Å; W564-Q569 HydrophobicContact CH2-CB 4.44Å; W564-Q569 HydrophobicContact CZ2-CB 4.49Å; S567-Q569 VanDerWaalsContact CB-OE1 3.27Å; S567-Q569 PolarHBondContact O-N 2.91Å; S567-Q569 PolarHBondContact OG-OE1 2.83Å; Q569-T572 WeakPolarHBondContact O-CB 3.49Å; Q569-T572 PolarHBondContact O-N 3.47Å; Q569-I573 PolarHBondContact O-N 3.07Å
570W88.2Confident85.9Confident3 Ų365.5 Ų65.51%0.01135%0.346CS..Hα-helixtrans-67.7-39.9178.4-172.7-101.2000112.1L513 F521 L534 W564 K565 S567 T572 I573 E574L513-W570 HydrophobicContact CD1-CH2 4.28Å; L513-W570 HydrophobicContact CD1-CZ2 4.19Å; L513-W570 HydrophobicContact CD2-CH2 4.1Å; L513-W570 HydrophobicContact CD2-CZ2 4.08Å; F521-W570 HydrophobicContact CE2-CD2 4.28Å; F521-W570 AromaticContact CE2-CE2 3.61Å; F521-W570 HydrophobicContact CE2-CH2 4.09Å; F521-W570 AromaticContact CE2-CZ2 3.53Å; F521-W570 HydrophobicContact CE2-CZ2 3.53Å; F521-W570 AromaticContact CE2-NE1 3.93Å; F521-W570 HydrophobicContact CZ-CD2 4.06Å; F521-W570 AromaticContact CZ-CE2 3.87Å; F521-W570 HydrophobicContact CZ-CE3 4.4Å; F521-W570 HydrophobicContact CZ-CH2 4.37Å; F521-W570 HydrophobicContact CZ-CZ2 4.06Å; L534-W570 HydrophobicContact CD1-CZ3 4.37Å; W564-W570 AromaticContact NE1-CE3 3.98Å; K565-W570 VanDerWaalsContact O-CD1 3.3Å; S567-W570 PolarHBondContact O-N 3.25Å; S567-W570 PolarHBondContact OG-N 2.81Å; W570-T572 PolarHBondContact O-N 2.94Å; W570-I573 HydrophobicContact CE3-CB 4.48Å; W570-I573 HydrophobicContact CE3-CD1 3.95Å; W570-I573 HydrophobicContact CZ3-CD1 4.14Å; W570-I573 HydrophobicContact CZ3-CG2 4.31Å; W570-I573 WeakPolarHBondContact O-CB 3.38Å; W570-I573 PolarHBondContact O-N 2.79Å; W570-I573 VanDerWaalsContact O-N 3.08Å; W570-E574 VanDerWaalsContact NE1-CD 3.33Å; W570-E574 PolarHBondContact NE1-OE1 3.25Å; W570-E574 PolarHBondContact O-N 2.99Å
571A87.1Confident84.3Confident51 Ų5165.4 Ų65.442%0.42136%0.359SS..Hα-helixtrans-59-37.1174.300000112.4S567 E568 E574 Q575S567-A571 PolarHBondContact O-N 3.1Å; E568-A571 PolarHBondContact O-N 2.84Å; A571-E574 PolarHBondContact O-N 2.84Å; A571-Q575 WeakPolarHBondContact O-CB 3.38Å; A571-Q575 PolarHBondContact O-N 2.85Å
572T86.9Confident82Confident56 Ų5667.6 Ų67.634%0.34438%0.381SS..Hα-helixtrans-65.3-41174.9-540000111.5M540 E568 Q569 W570 Q575 L576M540-T572 HydrophobicContact CE-CG2 3.86Å; M540-T572 HydrophobicContact SD-CG2 3.76Å; E568-T572 PolarHBondContact O-N 3.06Å; E568-T572 PolarHBondContact O-OG1 3.32Å; Q569-T572 WeakPolarHBondContact O-CB 3.49Å; Q569-T572 PolarHBondContact O-N 3.47Å; W570-T572 PolarHBondContact O-N 2.94Å; T572-Q575 PolarHBondContact O-N 2.89Å; T572-L576 HydrophobicContact CG2-CD1 4.36Å; T572-L576 WeakPolarHBondContact O-CG 3.47Å; T572-L576 PolarHBondContact O-N 2.76Å
573I86.9Confident79.4Confident4 Ų472 Ų722%0.02140%0.402CS..Hα-helixtrans-62.4-47174.5-70.6168.7000110.8L509 L534 M540 L542 Q569 W570 Q575 L576 C577L509-I573 HydrophobicContact CD2-CG2 3.68Å; L534-I573 HydrophobicContact CD2-CD1 3.75Å; M540-I573 HydrophobicContact SD-CG1 4.35Å; L542-I573 HydrophobicContact CD1-CD1 3.44Å; L542-I573 VanDerWaalsContact CD1-CD1 3.44Å; Q569-I573 PolarHBondContact O-N 3.07Å; W570-I573 HydrophobicContact CE3-CB 4.48Å; W570-I573 HydrophobicContact CE3-CD1 3.95Å; W570-I573 HydrophobicContact CZ3-CD1 4.14Å; W570-I573 HydrophobicContact CZ3-CG2 4.31Å; W570-I573 WeakPolarHBondContact O-CB 3.38Å; W570-I573 PolarHBondContact O-N 2.79Å; W570-I573 VanDerWaalsContact O-N 3.08Å; I573-Q575 VanDerWaalsContact C-N 3.25Å; I573-Q575 PolarHBondContact O-N 3.2Å; I573-L576 PolarHBondContact O-N 3.21Å; I573-L576 VanDerWaalsContact O-N 3.15Å; I573-C577 WeakPolarHBondContact O-CB 3.35Å; I573-C577 PolarHBondContact O-N 2.94Å; I573-C577 PolarHBondContact O-SG 2.84Å
574E87.1Confident76.8Confident85 Ų8572.4 Ų72.440%0.39741%0.406SS..Hα-helixtrans-59.8-38.7177.7-72.5-175.7163.900111.4W570 A571 C577 S578W570-E574 VanDerWaalsContact NE1-CD 3.33Å; W570-E574 PolarHBondContact NE1-OE1 3.25Å; W570-E574 PolarHBondContact O-N 2.99Å; A571-E574 PolarHBondContact O-N 2.84Å; E574-C577 PolarHBondContact O-N 3.31Å; E574-S578 WeakPolarHBondContact O-CB 3.49Å; E574-S578 PolarHBondContact O-N 3.25Å; E574-S578 PolarHBondContact O-OG 3.44Å
575Q85.6Confident74.2Confident135 Ų13578.1 Ų78.163%0.63145%0.447SS*.Hα-helixtrans-65-44174.6-173177.3-18.500112.1A571 T572 I573 S578 T579A571-Q575 WeakPolarHBondContact O-CB 3.38Å; A571-Q575 PolarHBondContact O-N 2.85Å; T572-Q575 PolarHBondContact O-N 2.89Å; I573-Q575 VanDerWaalsContact C-N 3.25Å; I573-Q575 PolarHBondContact O-N 3.2Å; Q575-S578 WeakPolarHBondContact O-CB 3.34Å; Q575-S578 PolarHBondContact O-N 3.4Å; Q575-T579 WeakPolarHBondContact O-CG2 3.45Å; Q575-T579 PolarHBondContact O-N 3.03Å; Q575-T579 PolarHBondContact O-OG1 2.92Å
576L85.3Confident71.6Confident52 Ų5278.2 Ų78.227%0.27246%0.459SS..Hα-helixtrans-64.8-40.8176.2-70.8171.6000112.2F506 T572 I573 S578 T579 V580F506-L576 HydrophobicContact CD1-CB 4.06Å; F506-L576 HydrophobicContact CE1-CB 4Å; F506-L576 HydrophobicContact CE1-CD1 3.86Å; F506-L576 HydrophobicContact CZ-CD1 3.81Å; T572-L576 HydrophobicContact CG2-CD1 4.36Å; T572-L576 WeakPolarHBondContact O-CG 3.47Å; T572-L576 PolarHBondContact O-N 2.76Å; I573-L576 PolarHBondContact O-N 3.21Å; I573-L576 VanDerWaalsContact O-N 3.15Å; L576-S578 VanDerWaalsContact C-N 3.27Å; L576-S578 PolarHBondContact O-N 3.35Å; L576-T579 PolarHBondContact O-N 3.21Å; L576-T579 PolarHBondContact O-OG1 2.85Å; L576-V580 WeakPolarHBondContact O-CG2 3.34Å; L576-V580 PolarHBondContact O-N 3.14Å; L576-V580 VanDerWaalsContact O-N 3.14Å
577C85.8Confident68.7Low10 Ų1075.7 Ų75.77%0.06846%0.464CS..Hα-helixtrans-63.3-35.7173.2-73.40000111.6A510 I573 E574 G581A510-C577 HydrophobicContact CB-CB 3.83Å; I573-C577 WeakPolarHBondContact O-CB 3.35Å; I573-C577 PolarHBondContact O-N 2.94Å; I573-C577 PolarHBondContact O-SG 2.84Å; E574-C577 PolarHBondContact O-N 3.31Å; C577-G581 PolarHBondContact O-N 2.91Å
578S82.1Confident66.1Low86 Ų8683.1 Ų83.160%0.60150%0.501SS*.Hα-helixtrans-70.8-34.7178.2-58.70000112.9E574 Q575 L576 G582E574-S578 WeakPolarHBondContact O-CB 3.49Å; E574-S578 PolarHBondContact O-N 3.25Å; E574-S578 PolarHBondContact O-OG 3.44Å; Q575-S578 WeakPolarHBondContact O-CB 3.34Å; Q575-S578 PolarHBondContact O-N 3.4Å; L576-S578 VanDerWaalsContact C-N 3.27Å; L576-S578 PolarHBondContact O-N 3.35Å; S578-G582 PolarHBondContact O-N 3.39Å
579T79.2Confident63.3Low86 Ų8678.3 Ų78.353%0.52850%0.495SS..Hα-helixtrans-74.1-3517755.50000112.1Q575 L576 G582Q575-T579 WeakPolarHBondContact O-CG2 3.45Å; Q575-T579 PolarHBondContact O-N 3.03Å; Q575-T579 PolarHBondContact O-OG1 2.92Å; L576-T579 PolarHBondContact O-N 3.21Å; L576-T579 PolarHBondContact O-OG1 2.85Å; T579-G582 PolarHBondContact O-N 3.07Å
580V70.4Confident60.5Low60 Ų6086.6 Ų86.636%0.36453%0.525SS..Hα-helixtrans-79.5-34.6177.9179.50000111.9F506 H507 L576 G582F506-V580 HydrophobicContact CB-CB 4.47Å; F506-V580 HydrophobicContact CB-CG2 4.09Å; H507-V580 HydrophobicContact CB-CG1 3.84Å; L576-V580 WeakPolarHBondContact O-CG2 3.34Å; L576-V580 PolarHBondContact O-N 3.14Å; L576-V580 VanDerWaalsContact O-N 3.14Å; V580-G582 PolarHBondContact O-N 2.84Å
581G53.2Low57.6Low56 Ų5695.8 Ų95.858%0.57757%0.568SS**THydrogen-bonded Turntrans-72-7.8170.800000113.9C577C577-G581 PolarHBondContact O-N 2.91Å
582G40.1Very low54.7Low46 Ų4698.2 Ų98.247%0.47459%0.588SS.*THydrogen-bonded Turntrans-105.934.7-174.400000115.4S578 T579 V580 P584S578-G582 PolarHBondContact O-N 3.39Å; T579-G582 PolarHBondContact O-N 3.07Å; V580-G582 PolarHBondContact O-N 2.84Å; G582-P584 VanDerWaalsContact C-CD 3.43Å; G582-P584 WeakPolarHBondContact O-CD 3.28Å
583Q32.5Very low52.1Low173 Ų173104.9 Ų104.981%0.80862%0.618SS**  trans-91.597.5161.1-80.2-147.8-25.200111.2
584P35.7Very low49.3Very low95 Ų95108.5 Ų108.562%0.61766%0.656SS**  trans-70.1137.1131.831.4-24.4000107.6G582 S586G582-P584 VanDerWaalsContact C-CD 3.43Å; G582-P584 WeakPolarHBondContact O-CD 3.28Å; P584-S586 VanDerWaalsContact C-N 3.31Å; P584-S586 PolarHBondContact O-N 3.36Å
585S32.8Very low46.4Very low127 Ų127107.9 Ų107.989%0.88867%0.673SS**SBendtrans-55.492.8168.8-48.50000110.2
586S32.6Very low43.9Very low88 Ų88108 Ų10862%0.61569%0.685SS**  trans-146.677.4170.4640000110.3P584 L588P584-S586 VanDerWaalsContact C-N 3.31Å; P584-S586 PolarHBondContact O-N 3.36Å; S586-L588 PolarHBondContact O-N 3.47Å
587S29.1Very low41.5Very low127 Ų127110.5 Ų110.589%0.88871%0.714SS**  trans-70.1104.3157.751.90000108.6
588L33.5Very low38.7Very low176 Ų176114.6 Ų114.692%0.92175%0.748SS**  trans-98.7129.8166.6-100.3162.5000109.5S586S586-L588 PolarHBondContact O-N 3.47Å
589G26.8Very low36.5Very low62 Ų62116.5 Ų116.564%0.63976%0.759SS**  trans16271.8162.100000114.1
590Y29.2Very low34.7Very low240 Ų240117.5 Ų117.594%0.94178%0.776SS**  -170.2121.6120.1-108.6-77.9000109.7
591E28.1Very low33Very low196 Ų196120.2 Ų120.292%0.91680%0.797SS**  trans-64.5135.5-178.3-67.7170.8128.100112.8
592A27Very low32.4Very low102 Ų102122.9 Ų122.984%0.84381%0.807SS**  trans-148.2128147.600000109.9
593M32.1Very low32.9Very low196 Ų196126.1 Ų126.197%0.96682%0.822SS**  trans-48.2138.1-177.8-90.3-106.5-17300116.5
594G27.6Very low34.4Very low80 Ų80120.7 Ų120.783%0.82581%0.807SS**  trans112.2118.113500000118
595G26.1Very low36.6Very low73 Ų73121.1 Ų121.175%0.75380%0.802SS**  trans144.8139157.300000115.3
596P32.6Very low39Very low136 Ų136115.9 Ų115.988%0.88376%0.763SS**  trans-84.7160.3-161.235.1-35.5000115.2
597A34.6Very low41.7Very low106 Ų106115.2 Ų115.288%0.87676%0.758SS**  trans-59.8140-179.600000115.5
598A28.7Very low44.3Very low96 Ų96109.2 Ų109.279%0.79372%0.716SS**  trans-163.5166.4155.700000109.6
599P34.3Very low46.7Very low126 Ų126107.4 Ų107.482%0.81871%0.707SS**  -105.8173.3-115.627.3-8.5000115.7
600A41.8Very low49.3Very low107 Ų107110.1 Ų110.188%0.88470%0.703SS**  trans-50.2127.8178.700000114.1
601S35Very low51.9Low117 Ų117100.8 Ų100.882%0.81867%0.672SS**  trans-111.3129.3170.865.60000111.5
602S41.2Very low54.6Low112 Ų11297.1 Ų97.178%0.78366%0.663SS**  trans-66.8118.8179.352.10000112.3A604S602-A604 PolarHBondContact O-N 2.66Å; S602-A604 VanDerWaalsContact O-N 3.1Å
603S50.8Low57.2Low113 Ų11395.9 Ų95.979%0.7964%0.639SS**  trans-8268.217758.90000112.5
604A63Low59.8Low60 Ų6092.3 Ų92.350%0.49662%0.622SS.*  trans-119.8129.3173.100000111.1S602S602-A604 PolarHBondContact O-N 2.66Å; S602-A604 VanDerWaalsContact O-N 3.1Å
605M82.1Confident62.4Low103 Ų10388.5 Ų88.551%0.50758%0.582SS.*  trans-55.6150.5169.6-63.8177.1-174.700110.4M614 N615M605-M614 HydrophobicContact SD-CE 4.42Å; M605-N615 CarbonylContact C-O 3.5Å; M605-N615 VanDerWaalsContact CA-O 3.28Å; M605-N615 WeakPolarHBondContact CA-O 3.24Å; M605-N615 WeakPolarHBondContact CB-O 3.32Å
606W83.8Confident65.2Low18 Ų1889.9 Ų89.97%0.06857%0.569CS.*EExtended strand (participates in β ladder)trans-128.4137.9-178.770.8-85.3000112.2C608 N615 T619 C622 R629W606-C608 HydrophobicContact CH2-CB 4.49Å; W606-C608 HydrophobicContact CZ3-CB 4.14Å; W606-N615 HydrophobicContact CD2-CB 4.17Å; W606-N615 HydrophobicContact CG-CB 4.38Å; W606-N615 HydrophobicContact CZ2-CB 3.92Å; W606-N615 PolarHBondContact N-O 2.99Å; W606-N615 PolarHBondContact O-N 3.03Å; W606-T619 PolarHBondContact NE1-O 2.9Å; W606-C622 HydrophobicContact CH2-CB 4.33Å; W606-R629 HydrophobicContact CD2-CB 4.45Å; W606-R629 HydrophobicContact CD2-CG 3.72Å; W606-R629 HydrophobicContact CE3-CB 4.29Å; W606-R629 HydrophobicContact CE3-CG 3.61Å; W606-R629 HydrophobicContact CG-CG 4.46Å; W606-R629 VanDerWaalsContact CG-NE 3.34Å; W606-R629 VanDerWaalsContact CH2-CA 3.47Å; W606-R629 HydrophobicContact CH2-CB 3.56Å; W606-R629 HydrophobicContact CH2-CG 3.84Å; W606-R629 HydrophobicContact CZ2-CB 3.73Å; W606-R629 HydrophobicContact CZ2-CG 3.94Å; W606-R629 HydrophobicContact CZ3-CB 3.83Å; W606-R629 HydrophobicContact CZ3-CG 3.63Å
607S88.4Confident67.3Low73 Ų7386.1 Ų86.151%0.5154%0.544SS..EExtended strand (participates in β ladder)trans-84.2130.3177.463.30000111.5L609 F613S607-L609 PolarHBondContact O-N 2.89Å; S607-F613 CarbonylContact C-O 3.48Å; S607-F613 WeakPolarHBondContact CA-O 3.44Å
608C83Confident69.2Low2 Ų284.6 Ų84.61%0.01454%0.539CS..  trans-66.4125.4174.5-179.70000111.6W606 H610 C611 T612 F613 C622 C625W606-C608 HydrophobicContact CH2-CB 4.49Å; W606-C608 HydrophobicContact CZ3-CB 4.14Å; C608-H610 PolarHBondContact O-N 3.29Å; C608-H610 PolarHBondContact SG-N 3.47Å; C608-C611 VanDerWaalsContact SG-SG 3.68Å; C608-T612 WeakPolarHBondContact O-CA 3.49Å; C608-T612 PolarHBondContact O-N 3.27Å; C608-F613 PolarHBondContact N-O 3.46Å; C608-C622 HydrophobicContact CB-CB 4Å; C608-C622 VanDerWaalsContact CB-SG 3.56Å; C608-C622 VanDerWaalsContact SG-SG 3.7Å; C608-C625 VanDerWaalsContact SG-SG 3.7Å
609L84.7Confident71.4Confident137 Ų13782.2 Ų82.272%0.71752%0.515SS*.THydrogen-bonded Turntrans-67-18.7179.3-72.7160.4000113.7S607S607-L609 PolarHBondContact O-N 2.89Å
610H81.6Confident73.5Confident119 Ų11983 Ų8355%0.55151%0.507SS*.THydrogen-bonded Turntrans-92.9-38.9-177.4-63.8-69.8000114C608 L627C608-H610 PolarHBondContact O-N 3.29Å; C608-H610 PolarHBondContact SG-N 3.47Å; H610-L627 HydrophobicContact CB-CD1 4Å
611C84.6Confident75.7Confident45 Ų4583 Ų8330%0.30449%0.489SS..THydrogen-bonded Turntrans-127.25.2-175.668.70000113.8C608 F613 C622 C625C608-C611 VanDerWaalsContact SG-SG 3.68Å; C611-F613 PolarHBondContact O-N 3.07Å; C611-C622 PolarHBondContact SG-SG 3.3Å; C611-C625 VanDerWaalsContact SG-SG 3.7Å
612T84.4Confident78.1Confident119 Ų11977.5 Ų77.573%0.7345%0.451SS*.  trans63.53.4177.162.70000116.6C608C608-T612 WeakPolarHBondContact O-CA 3.49Å; C608-T612 PolarHBondContact O-N 3.27Å
613F80.5Confident80.1Confident75 Ų7577.8 Ų77.833%0.32944%0.44SS..  trans-66.5140177.8-173.2-107000112.8S607 C608 C611 N615 E623 I624S607-F613 CarbonylContact C-O 3.48Å; S607-F613 WeakPolarHBondContact CA-O 3.44Å; C608-F613 PolarHBondContact N-O 3.46Å; C611-F613 PolarHBondContact O-N 3.07Å; F613-N615 PolarHBondContact O-ND2 3.4Å; F613-E623 HydrophobicContact CE1-CB 4.2Å; F613-I624 HydrophobicContact CB-CD1 3.95Å; F613-I624 HydrophobicContact CD1-CD1 3.66Å; F613-I624 HydrophobicContact CD2-CD1 3.1Å; F613-I624 HydrophobicContact CE1-CD1 3.81Å; F613-I624 HydrophobicContact CE2-CD1 3.28Å; F613-I624 HydrophobicContact CG-CD1 3.28Å; F613-I624 HydrophobicContact CG-CG1 4.5Å; F613-I624 HydrophobicContact CZ-CD1 3.63Å
614M86.6Confident81.7Confident122 Ų12277.5 Ų77.560%0.60143%0.428SS*.EExtended strand (participates in β ladder)trans-87.5111.7176.6-67.9-145.3-55.100111.1M605M605-M614 HydrophobicContact SD-CE 4.42Å
615N83.3Confident82.8Confident0 Ų076.7 Ų76.70%042%0.418CS..EExtended strand (participates in β ladder)trans-91.7146.8178.7-64.5-75.9000111.2M605 W606 F613 C622 E623M605-N615 CarbonylContact C-O 3.5Å; M605-N615 VanDerWaalsContact CA-O 3.28Å; M605-N615 WeakPolarHBondContact CA-O 3.24Å; M605-N615 WeakPolarHBondContact CB-O 3.32Å; W606-N615 HydrophobicContact CD2-CB 4.17Å; W606-N615 HydrophobicContact CG-CB 4.38Å; W606-N615 HydrophobicContact CZ2-CB 3.92Å; W606-N615 PolarHBondContact N-O 2.99Å; W606-N615 PolarHBondContact O-N 3.03Å; F613-N615 PolarHBondContact O-ND2 3.4Å; N615-C622 PolarHBondContact ND2-SG 3.03Å; N615-C622 WeakPolarHBondContact OD1-CA 3.29Å; N615-E623 PolarHBondContact OD1-N 2.91Å
616Q83.4Confident82.9Confident102 Ų10276.1 Ų76.148%0.47742%0.424SS..PPolyproline II helixtrans-63.8151.1175.5-66.8-67.5-15.100111.7G618 T619Q616-G618 PolarHBondContact O-N 3.2Å; Q616-T619 PolarHBondContact O-OG1 3.07Å
617P77.7Confident83Confident56 Ų5678.8 Ų78.836%0.36444%0.44SS..THydrogen-bonded Turntrans-62.9132.617624.6-30.7000110.8
618G73.9Confident82.8Confident75 Ų7577.9 Ų77.977%0.77343%0.432SS*.THydrogen-bonded Turntrans105.4-8.6178.200000115.4Q616Q616-G618 PolarHBondContact O-N 3.2Å
619T75Confident82.7Confident45 Ų4583.6 Ų83.628%0.27645%0.453SS..  trans-91122.7171.852.20000111.2W606 Q616 H621W606-T619 PolarHBondContact NE1-O 2.9Å; Q616-T619 PolarHBondContact O-OG1 3.07Å; T619-H621 VanDerWaalsContact C-N 3.33Å
620E79.9Confident81.9Confident142 Ų14283.3 Ų83.366%0.66446%0.463SS*.SBendtrans-79.9-15.6177.3-70.6-88.9135.300112.6P628 R629E620-P628 CarbonylContact O-C 3.56Å; E620-P628 WeakPolarHBondContact O-CA 3.47Å; E620-R629 WeakPolarHBondContact O-CB 3.44Å; E620-R629 PolarHBondContact O-N 3.1Å
621H86.8Confident81.9Confident108 Ų10881.6 Ų81.650%0.546%0.459SS..BIsolated β-bridgetrans-126.2147.6-179.7-58.579.8000110.2T619 L627T619-H621 VanDerWaalsContact C-N 3.33Å; H621-L627 CarbonylContact C-O 3.38Å; H621-L627 WeakPolarHBondContact CA-O 3.31Å
622C85.1Confident81.8Confident2 Ų283.5 Ų83.51%0.01447%0.467CS..  trans-70132.9177-178.60000111.2W606 C608 C611 N615 I624 C625 S626 L627W606-C622 HydrophobicContact CH2-CB 4.33Å; C608-C622 HydrophobicContact CB-CB 4Å; C608-C622 VanDerWaalsContact CB-SG 3.56Å; C608-C622 VanDerWaalsContact SG-SG 3.7Å; C611-C622 PolarHBondContact SG-SG 3.3Å; N615-C622 PolarHBondContact ND2-SG 3.03Å; N615-C622 WeakPolarHBondContact OD1-CA 3.29Å; C622-I624 PolarHBondContact O-N 3.13Å; C622-C625 VanDerWaalsContact CB-SG 3.5Å; C622-C625 VanDerWaalsContact SG-SG 3.65Å; C622-S626 WeakPolarHBondContact O-CA 3.27Å; C622-S626 PolarHBondContact O-N 3.19Å; C622-L627 PolarHBondContact N-O 3.34Å
623E84.4Confident81.6Confident117 Ų11781.5 Ų81.555%0.54745%0.452SS..THydrogen-bonded Turntrans-63.4-27-177.7-71.4179.7-179.100113.9F613 N615F613-E623 HydrophobicContact CE1-CB 4.2Å; N615-E623 PolarHBondContact OD1-N 2.91Å
624I84.5Confident81.7Confident108 Ų10881.9 Ų81.955%0.55446%0.46SS*.THydrogen-bonded Turntrans-94.5-41.3-175.4-86.1145.3000113.4F613 C622F613-I624 HydrophobicContact CB-CD1 3.95Å; F613-I624 HydrophobicContact CD1-CD1 3.66Å; F613-I624 HydrophobicContact CD2-CD1 3.1Å; F613-I624 HydrophobicContact CE1-CD1 3.81Å; F613-I624 HydrophobicContact CE2-CD1 3.28Å; F613-I624 HydrophobicContact CG-CD1 3.28Å; F613-I624 HydrophobicContact CG-CG1 4.5Å; F613-I624 HydrophobicContact CZ-CD1 3.63Å; C622-I624 PolarHBondContact O-N 3.13Å
625C84.6Confident81.4Confident42 Ų4279.4 Ų79.428%0.28445%0.451SS..THydrogen-bonded Turntrans-107.7-3.7-176.765.40000113.8C608 C611 C622 L627C608-C625 VanDerWaalsContact SG-SG 3.7Å; C611-C625 VanDerWaalsContact SG-SG 3.7Å; C622-C625 VanDerWaalsContact CB-SG 3.5Å; C622-C625 VanDerWaalsContact SG-SG 3.65Å; C625-L627 HydrophobicContact CB-CD1 4.45Å; C625-L627 PolarHBondContact O-N 3.14Å
626S85.4Confident81.2Confident91 Ų9184.7 Ų84.764%0.63648%0.481SS*.  trans56.914.9-179.6-53.90000114.9C622C622-S626 WeakPolarHBondContact O-CA 3.27Å; C622-S626 PolarHBondContact O-N 3.19Å
627L84.4Confident81.1Confident74 Ų7483.4 Ų83.439%0.38748%0.481SS..  trans-85.7146.2176.6-69.7171000110.7H610 H621 C622 C625H610-L627 HydrophobicContact CB-CD1 4Å; H621-L627 CarbonylContact C-O 3.38Å; H621-L627 WeakPolarHBondContact CA-O 3.31Å; C622-L627 PolarHBondContact N-O 3.34Å; C625-L627 HydrophobicContact CB-CD1 4.45Å; C625-L627 PolarHBondContact O-N 3.14Å
628P84.9Confident81.4Confident55 Ų5585.5 Ų85.536%0.35749%0.49SS..BIsolated β-bridgetrans-65.6162.1-17927.6-34.2000112.3E620 S630E620-P628 CarbonylContact O-C 3.56Å; E620-P628 WeakPolarHBondContact O-CA 3.47Å; P628-S630 PolarHBondContact O-N 3.38Å
629R80.3Confident82Confident121 Ų12186.4 Ų86.446%0.45747%0.467SS..  trans-67.9-12.3-178.4-179.1167.9-175.6-174.51.2114.8W606 E620W606-R629 HydrophobicContact CD2-CB 4.45Å; W606-R629 HydrophobicContact CD2-CG 3.72Å; W606-R629 HydrophobicContact CE3-CB 4.29Å; W606-R629 HydrophobicContact CE3-CG 3.61Å; W606-R629 HydrophobicContact CG-CG 4.46Å; W606-R629 VanDerWaalsContact CG-NE 3.34Å; W606-R629 VanDerWaalsContact CH2-CA 3.47Å; W606-R629 HydrophobicContact CH2-CB 3.56Å; W606-R629 HydrophobicContact CH2-CG 3.84Å; W606-R629 HydrophobicContact CZ2-CB 3.73Å; W606-R629 HydrophobicContact CZ2-CG 3.94Å; W606-R629 HydrophobicContact CZ3-CB 3.83Å; W606-R629 HydrophobicContact CZ3-CG 3.63Å; E620-R629 WeakPolarHBondContact O-CB 3.44Å; E620-R629 PolarHBondContact O-N 3.1Å
630S68.5Low82.6Confident132 Ų13290.2 Ų90.292%0.92348%0.484SS*.  trans-76.50-177.558.60000113.8P628P628-S630 PolarHBondContact O-N 3.38Å

Retrieved 630 of 630 residues in 1871 ms (Link to these results)

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